| 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 | 38.4 | Very low | 31.8 | Very low | 245 Ų | 245 | 164.6 Ų | 164.6 | 100% | 1.207 | 86% | 0.855 | S | S | * | * | 0 | 99.5 | 0 | -149.8 | 176.8 | -158.9 | 0 | 0 | 107.7 | M3 | M1-M3 PolarHBondContact O-N 2.77Š| |||
| 2 | R | 31.9 | Very low | 31.6 | Very low | 242 Ų | 242 | 167.8 Ų | 167.8 | 91% | 0.913 | 86% | 0.857 | S | S | * | * | trans | -85.1 | 103.6 | 178 | -125 | -178.8 | -166.7 | 177.1 | 3.9 | 106.4 | T4 | R2-T4 PolarHBondContact O-N 3.26Š| ||
| 3 | M | 32.3 | Very low | 31.9 | Very low | 167 Ų | 167 | 159.2 Ų | 159.2 | 82% | 0.823 | 84% | 0.836 | S | S | * | * | trans | -86.3 | 90.3 | -177.7 | -158.1 | 165.7 | -179.3 | 0 | 0 | 108.8 | M1 L5 | M1-M3 PolarHBondContact O-N 2.77Å; M3-L5 HydrophobicContact CE-CD1 4.36Å | ||
| 4 | T | 30.8 | Very low | 32.1 | Very low | 127 Ų | 127 | 155.7 Ų | 155.7 | 78% | 0.779 | 83% | 0.831 | S | S | * | * | trans | -90.2 | 99.4 | 164.5 | 40.4 | 0 | 0 | 0 | 0 | 108.2 | R2 | R2-T4 PolarHBondContact O-N 3.26Š| ||
| 5 | L | 32.7 | Very low | 32.2 | Very low | 131 Ų | 131 | 156.1 Ų | 156.1 | 69% | 0.686 | 83% | 0.832 | S | S | * | * | trans | -148.1 | 91.9 | 167.4 | -87.9 | 171.7 | 0 | 0 | 0 | 108.3 | M3 | M3-L5 HydrophobicContact CE-CD1 4.36Š| ||
| 6 | F | 37.2 | Very low | 33.1 | Very low | 218 Ų | 218 | 153.7 Ų | 153.7 | 96% | 0.956 | 83% | 0.828 | S | S | * | * | trans | -158.9 | 71.1 | 148.9 | -89.2 | -66.7 | 0 | 0 | 0 | 108.1 | ||||
| 7 | D | 26.9 | Very low | 34.3 | Very low | 176 Ų | 176 | 149 Ų | 149 | 94% | 0.941 | 82% | 0.815 | S | S | * | * | trans | -89.1 | 121.9 | 150.7 | -105.6 | -22.8 | 0 | 0 | 0 | 106.6 | ||||
| 8 | G | 32.3 | Very low | 36.4 | Very low | 61 Ų | 61 | 147 Ų | 147 | 63% | 0.629 | 81% | 0.814 | S | S | * | * | trans | 167.8 | 73.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 9 | T | 29.9 | Very low | 38.7 | Very low | 133 Ų | 133 | 141.3 Ų | 141.3 | 82% | 0.816 | 78% | 0.779 | S | S | * | * | trans | 47.6 | 104.2 | 153 | 58.4 | 0 | 0 | 0 | 0 | 117.2 | K11 | T9-K11 VanDerWaalsContact C-N 3.32Å; T9-K11 PolarHBondContact O-N 2.63Å | ||
| 10 | S | 27.6 | Very low | 41.1 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | -42.8 | 91 | 157.4 | 179.9 | 0 | 0 | 0 | 0 | 111.5 | K12 | S10-K12 PolarHBondContact O-N 3.14Š| ||
| 11 | K | 30 | Very low | 43.5 | Very low | 196 Ų | 196 | 135.1 Ų | 135.1 | 85% | 0.852 | 74% | 0.738 | S | S | * | * | trans | -63.8 | 116.5 | 145.3 | -77 | -173.9 | 178 | 179.3 | 0 | 103.5 | T9 G13 | T9-K11 VanDerWaalsContact C-N 3.32Å; T9-K11 PolarHBondContact O-N 2.63Å; K11-G13 PolarHBondContact O-N 3.21Å | ||
| 12 | K | 29.7 | Very low | 46 | Very low | 203 Ų | 203 | 124.4 Ų | 124.4 | 88% | 0.883 | 69% | 0.685 | S | S | * | * | trans | -56.2 | 75.2 | 155.2 | -74.5 | 179.1 | 176.9 | 176.7 | 0 | 106.7 | S10 S14 | S10-K12 PolarHBondContact O-N 3.14Å; K12-S14 PolarHBondContact O-N 3Å; K12-S14 VanDerWaalsContact O-N 3.14Å | ||
| 13 | G | 35.7 | Very low | 48.8 | Very low | 56 Ų | 56 | 116.2 Ų | 116.2 | 58% | 0.577 | 67% | 0.668 | S | S | * | * | trans | -56.4 | 120.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 103.9 | K11 L15 | K11-G13 PolarHBondContact O-N 3.21Å; G13-L15 PolarHBondContact O-N 2.97Å | ||
| 14 | S | 34.3 | Very low | 51.6 | Low | 110 Ų | 110 | 111.3 Ų | 111.3 | 77% | 0.769 | 65% | 0.646 | S | S | * | * | trans | -29.5 | 116.8 | 160.1 | 48.2 | 0 | 0 | 0 | 0 | 107.9 | K12 | K12-S14 PolarHBondContact O-N 3Å; K12-S14 VanDerWaalsContact O-N 3.14Å | ||
| 15 | L | 33.7 | Very low | 54.6 | Low | 161 Ų | 161 | 111.2 Ų | 111.2 | 84% | 0.843 | 63% | 0.634 | S | S | * | * | trans | -39.2 | 123.9 | 167.5 | -83.3 | 141.5 | 0 | 0 | 0 | 105.9 | G13 A17 | G13-L15 PolarHBondContact O-N 2.97Å; L15-A17 PolarHBondContact O-N 2.98Å | ||
| 16 | P | 45.6 | Very low | 57.6 | Low | 118 Ų | 118 | 109.3 Ų | 109.3 | 77% | 0.766 | 62% | 0.624 | S | S | * | * | trans | -47.9 | 123.4 | -180 | 17.7 | -29.2 | 0 | 0 | 0 | 106.4 | S18 | P16-S18 PolarHBondContact O-N 3.04Š| ||
| 17 | A | 55.1 | Low | 60.4 | Low | 74 Ų | 74 | 99 Ų | 99 | 61% | 0.612 | 58% | 0.578 | S | S | * | * | trans | -45.5 | 124 | -174.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | L15 R19 | L15-A17 PolarHBondContact O-N 2.98Å; A17-R19 PolarHBondContact O-N 3.42Å | ||
| 18 | S | 70.9 | Confident | 63.7 | Low | 113 Ų | 113 | 90.6 Ų | 90.6 | 79% | 0.79 | 53% | 0.534 | S | S | * | . | trans | -52.7 | 112.8 | -173.5 | 57.5 | 0 | 0 | 0 | 0 | 107.8 | P16 L20 | P16-S18 PolarHBondContact O-N 3.04Å; S18-L20 PolarHBondContact O-N 2.84Å | ||
| 19 | R | 81 | Confident | 66.8 | Low | 39 Ų | 39 | 89.3 Ų | 89.3 | 15% | 0.147 | 51% | 0.512 | C | S | . | . | trans | -49.5 | 140.6 | -174.1 | -179.3 | 167.4 | -161.3 | -115.6 | 11 | 110.1 | A17 R84 S296 Y297 D399 | A17-R19 PolarHBondContact O-N 3.42Å; R19-R84 VanDerWaalsContact CD-O 3.28Å; R19-R84 WeakPolarHBondContact CD-O 3.24Å; R19-R84 PolarHBondContact NE-O 3.36Å; R19-R84 VanDerWaalsContact NH1-C 3.31Å; R19-R84 PolarHBondContact NH1-O 3.3Å; R19-S296 PolarHBondContact NH1-O 3.04Å; R19-S296 PolarHBondContact NH1-OG 3.36Å; R19-S296 PolarHBondContact NH2-OG 2.89Å; R19-Y297 HydrophobicContact CG-CD1 4.26Å; R19-Y297 HydrophobicContact CG-CE1 4.32Å; R19-D399 IonicContact CZ-OD2 2.72Å; R19-D399 IonicContact NE-OD1 3.66Å; R19-D399 IonicContact NE-OD2 2.67Å; R19-D399 IonicContact NH2-OD1 3.79Å; R19-D399 IonicContact NH2-OD2 2.91Å; R19-D399 PolarHBondContact NH2-OD2 3.41Å | ||
| 20 | L | 85.6 | Confident | 70 | Confident | 53 Ų | 53 | 84 Ų | 84 | 28% | 0.277 | 48% | 0.479 | S | S | . | . | trans | -49.7 | 151.8 | -179.5 | -68.4 | 167.8 | 0 | 0 | 0 | 110.8 | S18 R84 P221 Y297 | S18-L20 PolarHBondContact O-N 2.84Å; L20-R84 PolarHBondContact O-NH2 3.09Å; L20-P221 HydrophobicContact CB-CG 3.8Å; L20-Y297 HydrophobicContact CB-CD1 4.19Å; L20-Y297 HydrophobicContact CB-CE1 4.15Å; L20-Y297 VanDerWaalsContact O-CD1 3.25Å; L20-Y297 WeakPolarHBondContact O-CD1 3.41Å | ||
| 21 | K | 91.1 | Very high | 73.3 | Confident | 100 Ų | 100 | 78.9 Ų | 78.9 | 44% | 0.435 | 44% | 0.444 | S | S | . | . | trans | -133.2 | 154.1 | 176.9 | -62.2 | -174.1 | 179.9 | -177.9 | 0 | 109.2 | Y297 D299 | K21-Y297 WeakPolarHBondContact CA-O 3.35Å; K21-D299 WeakPolarHBondContact CD-OD1 3.36Å; K21-D299 WeakPolarHBondContact CE-OD1 3.27Å; K21-D299 IonicContact NZ-OD1 3.85Å; K21-D299 PolarHBondContact NZ-OD1 3.33Å | ||
| 22 | W | 92.1 | Very high | 76.5 | Confident | 20 Ų | 20 | 69.6 Ų | 69.6 | 8% | 0.076 | 40% | 0.403 | C | S | . | . | trans | -56.2 | 146.5 | 164.8 | -60.9 | 105.7 | 0 | 0 | 0 | 110.1 | N24 E27 F28 A31 P221 A224 L294 | W22-N24 PolarHBondContact O-N 3.08Å; W22-E27 HydrophobicContact CE3-CB 4.26Å; W22-F28 HydrophobicContact CB-CB 4.39Å; W22-F28 AromaticContact CD1-CD2 3.92Å; W22-F28 HydrophobicContact CD2-CB 4.19Å; W22-F28 AromaticContact CE2-CD2 3.97Å; W22-F28 HydrophobicContact CG-CB 3.85Å; W22-F28 HydrophobicContact CZ2-CD2 4.47Å; W22-F28 AromaticContact NE1-CD2 3.41Å; W22-A31 HydrophobicContact CH2-CB 3.83Å; W22-A31 HydrophobicContact CZ2-CB 4.34Å; W22-A31 HydrophobicContact CZ3-CB 4.25Å; W22-P221 HydrophobicContact CD2-CB 3.84Å; W22-P221 HydrophobicContact CE3-CB 3.68Å; W22-P221 HydrophobicContact CH2-CB 4Å; W22-P221 HydrophobicContact CZ2-CB 4.13Å; W22-P221 HydrophobicContact CZ3-CB 3.77Å; W22-P221 WeakPolarHBondContact CZ3-O 3.39Å; W22-A224 HydrophobicContact CZ3-CB 4.41Å; W22-L294 HydrophobicContact CH2-CD2 3.85Å; W22-L294 HydrophobicContact CZ2-CB 4.23Å; W22-L294 HydrophobicContact CZ2-CD2 3.59Å; W22-L294 HydrophobicContact CZ2-CG 4.49Å; W22-L294 PolarHBondContact NE1-O 2.94Å | ||
| 23 | A | 90.3 | Very high | 79.8 | Confident | 69 Ų | 69 | 60.6 Ų | 60.6 | 57% | 0.57 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -68.8 | -29.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | E27 | A23-E27 WeakPolarHBondContact CB-OE2 3.43Å; A23-E27 PolarHBondContact N-OE2 3.27Å |
| 24 | N | 91.4 | Very high | 82.7 | Confident | 65 Ų | 65 | 58 Ų | 58 | 35% | 0.348 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -154.7 | 171 | 172.9 | 62.1 | 53.6 | 0 | 0 | 0 | 111.1 | W22 I26 E27 | W22-N24 PolarHBondContact O-N 3.08Å; N24-I26 VanDerWaalsContact C-N 3.28Å; N24-I26 PolarHBondContact O-N 3.24Å; N24-I26 WeakPolarHBondContact OD1-CA 3.33Å; N24-I26 WeakPolarHBondContact OD1-CB 3.39Å; N24-I26 PolarHBondContact OD1-N 2.93Å; N24-E27 PolarHBondContact O-N 3.28Å; N24-E27 WeakPolarHBondContact OD1-CG 3.17Å; N24-E27 PolarHBondContact OD1-N 2.98Å |
| 25 | K | 93.4 | Very high | 85.7 | Confident | 125 Ų | 125 | 53.6 Ų | 53.6 | 54% | 0.543 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.6 | -25.5 | 179.9 | -64 | -178.5 | 177.1 | -179.9 | 0 | 113.7 | L29 N302 | K25-L29 PolarHBondContact O-N 3.47Å; K25-N302 WeakPolarHBondContact CD-OD1 3.32Å; K25-N302 WeakPolarHBondContact CE-OD1 3.35Å |
| 26 | I | 95.4 | Very high | 88.7 | Confident | 91 Ų | 91 | 46 Ų | 46 | 47% | 0.467 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -71.9 | -41.1 | -179.7 | -61.1 | 172.7 | 0 | 0 | 0 | 109.9 | N24 F28 L29 L30 W229 | N24-I26 VanDerWaalsContact C-N 3.28Å; N24-I26 PolarHBondContact O-N 3.24Å; N24-I26 WeakPolarHBondContact OD1-CA 3.33Å; N24-I26 WeakPolarHBondContact OD1-CB 3.39Å; N24-I26 PolarHBondContact OD1-N 2.93Å; I26-F28 VanDerWaalsContact C-N 3.3Å; I26-F28 PolarHBondContact O-N 3.16Å; I26-L29 PolarHBondContact O-N 3.26Å; I26-L29 VanDerWaalsContact O-N 3.17Å; I26-L30 HydrophobicContact CG2-CD1 3.87Å; I26-L30 HydrophobicContact CG2-CG 4.08Å; I26-L30 WeakPolarHBondContact O-CB 3.18Å; I26-L30 WeakPolarHBondContact O-CG 3.29Å; I26-L30 PolarHBondContact O-N 3.45Å; I26-W229 HydrophobicContact CB-CZ2 4.45Å; I26-W229 HydrophobicContact CG2-CH2 3.77Å; I26-W229 HydrophobicContact CG2-CZ2 3.85Å |
| 27 | E | 95.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.2 | -40.5 | 175.6 | -71.4 | 179.6 | -179.4 | 0 | 0 | 111.6 | W22 A23 N24 A31 G225 K226 | W22-E27 HydrophobicContact CE3-CB 4.26Å; A23-E27 WeakPolarHBondContact CB-OE2 3.43Å; A23-E27 PolarHBondContact N-OE2 3.27Å; N24-E27 PolarHBondContact O-N 3.28Å; N24-E27 WeakPolarHBondContact OD1-CG 3.17Å; N24-E27 PolarHBondContact OD1-N 2.98Å; E27-A31 WeakPolarHBondContact O-CB 3.35Å; E27-A31 PolarHBondContact O-N 2.99Å; E27-G225 WeakPolarHBondContact CG-O 3.36Å; E27-K226 IonicContact OE1-NZ 3.67Å; E27-K226 PolarHBondContact OE1-NZ 3.43Å |
| 28 | F | 96.2 | Very high | 93 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.3 | -48.5 | 172.3 | 170.8 | -113.1 | 0 | 0 | 0 | 112 | W22 I26 L30 A31 L32 L77 L294 N298 D307 | W22-F28 HydrophobicContact CB-CB 4.39Å; W22-F28 AromaticContact CD1-CD2 3.92Å; W22-F28 HydrophobicContact CD2-CB 4.19Å; W22-F28 AromaticContact CE2-CD2 3.97Å; W22-F28 HydrophobicContact CG-CB 3.85Å; W22-F28 HydrophobicContact CZ2-CD2 4.47Å; W22-F28 AromaticContact NE1-CD2 3.41Å; I26-F28 VanDerWaalsContact C-N 3.3Å; I26-F28 PolarHBondContact O-N 3.16Å; F28-L30 PolarHBondContact O-N 2.81Å; F28-A31 PolarHBondContact O-N 3.12Å; F28-L32 HydrophobicContact CD1-CD1 4.32Å; F28-L32 HydrophobicContact CD2-CG 4.34Å; F28-L32 HydrophobicContact CE1-CD1 3.52Å; F28-L32 HydrophobicContact CE1-CG 4.2Å; F28-L32 HydrophobicContact CE2-CD1 3.93Å; F28-L32 HydrophobicContact CE2-CD2 3.99Å; F28-L32 HydrophobicContact CE2-CG 3.79Å; F28-L32 HydrophobicContact CZ-CD1 3.31Å; F28-L32 HydrophobicContact CZ-CD2 4.09Å; F28-L32 HydrophobicContact CZ-CG 3.74Å; F28-L32 PolarHBondContact O-N 3.4Å; F28-L77 HydrophobicContact CZ-CD2 4.16Å; F28-L294 HydrophobicContact CD2-CB 4.46Å; F28-L294 HydrophobicContact CE2-CB 4.02Å; F28-N298 VanDerWaalsContact CD1-ND2 3.29Å; F28-N298 WeakPolarHBondContact CD1-ND2 3.09Å; F28-N298 WeakPolarHBondContact CD2-OD1 3.19Å; F28-N298 WeakPolarHBondContact CE1-ND2 3.29Å; F28-N298 VanDerWaalsContact CE2-ND2 3.34Å; F28-N298 WeakPolarHBondContact CE2-ND2 3.5Å; F28-N298 WeakPolarHBondContact CG-OD1 3.35Å; F28-N298 WeakPolarHBondContact CZ-ND2 3.2Å; F28-D307 HydrophobicContact CE1-CB 4.07Å; F28-D307 WeakPolarHBondContact CE1-OD2 3.47Å |
| 29 | L | 97.3 | Very high | 94.1 | Very high | 34 Ų | 34 | 32.7 Ų | 32.7 | 18% | 0.178 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62 | -43.1 | 179.8 | -179.5 | 65.7 | 0 | 0 | 0 | 111.8 | K25 I26 A31 L32 I33 L310 V311 | K25-L29 PolarHBondContact O-N 3.47Å; I26-L29 PolarHBondContact O-N 3.26Å; I26-L29 VanDerWaalsContact O-N 3.17Å; L29-A31 VanDerWaalsContact C-N 3.35Å; L29-L32 PolarHBondContact O-N 2.95Å; L29-I33 HydrophobicContact CD1-CD1 4.44Å; L29-I33 HydrophobicContact CG-CD1 4.06Å; L29-I33 VanDerWaalsContact O-CG1 3.31Å; L29-I33 WeakPolarHBondContact O-CG1 3.32Å; L29-I33 PolarHBondContact O-N 2.99Å; L29-L310 HydrophobicContact CD1-CD2 4.05Å; L29-L310 HydrophobicContact CD2-CD2 3.7Å; L29-L310 HydrophobicContact CG-CD2 4.49Å; L29-V311 HydrophobicContact CD1-CG2 3.58Å |
| 30 | L | 97.4 | Very high | 94.6 | Very high | 22 Ų | 22 | 31.1 Ų | 31.1 | 12% | 0.115 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.9 | -39.4 | 175.5 | -72.1 | 174.9 | 0 | 0 | 0 | 111.5 | I26 F28 L32 I33 G34 V228 W229 A232 I233 | I26-L30 HydrophobicContact CG2-CD1 3.87Å; I26-L30 HydrophobicContact CG2-CG 4.08Å; I26-L30 WeakPolarHBondContact O-CB 3.18Å; I26-L30 WeakPolarHBondContact O-CG 3.29Å; I26-L30 PolarHBondContact O-N 3.45Å; F28-L30 PolarHBondContact O-N 2.81Å; L30-L32 VanDerWaalsContact C-N 3.34Å; L30-L32 PolarHBondContact O-N 3.33Å; L30-I33 PolarHBondContact O-N 3.04Å; L30-G34 PolarHBondContact O-N 3.39Å; L30-V228 HydrophobicContact CB-CB 4.26Å; L30-V228 HydrophobicContact CB-CG2 3.94Å; L30-W229 HydrophobicContact CD1-CD2 3.84Å; L30-W229 HydrophobicContact CD1-CE3 3.91Å; L30-W229 HydrophobicContact CD1-CG 4.35Å; L30-W229 HydrophobicContact CD1-CH2 4.33Å; L30-W229 HydrophobicContact CD1-CZ2 4.26Å; L30-W229 HydrophobicContact CD1-CZ3 4.16Å; L30-A232 HydrophobicContact CB-CB 4.4Å; L30-A232 HydrophobicContact CD2-CB 4.36Å; L30-I233 HydrophobicContact CD2-CG1 4.47Å |
| 31 | A | 97.4 | Very high | 95 | Very high | 8 Ų | 8 | 28.6 Ų | 28.6 | 7% | 0.066 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.2 | -37.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | W22 E27 F28 L29 F35 V228 L294 | W22-A31 HydrophobicContact CH2-CB 3.83Å; W22-A31 HydrophobicContact CZ2-CB 4.34Å; W22-A31 HydrophobicContact CZ3-CB 4.25Å; E27-A31 WeakPolarHBondContact O-CB 3.35Å; E27-A31 PolarHBondContact O-N 2.99Å; F28-A31 PolarHBondContact O-N 3.12Å; L29-A31 VanDerWaalsContact C-N 3.35Å; A31-F35 WeakPolarHBondContact O-CB 3.23Å; A31-F35 PolarHBondContact O-N 2.87Å; A31-V228 HydrophobicContact CB-CG1 4.2Å; A31-L294 HydrophobicContact CB-CD1 4.48Å |
| 32 | L | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.5 | -43.1 | 172.2 | -71.1 | -176.7 | 0 | 0 | 0 | 112 | F28 L29 L30 F35 S36 F73 L77 L291 L294 D307 V311 | F28-L32 HydrophobicContact CD1-CD1 4.32Å; F28-L32 HydrophobicContact CD2-CG 4.34Å; F28-L32 HydrophobicContact CE1-CD1 3.52Å; F28-L32 HydrophobicContact CE1-CG 4.2Å; F28-L32 HydrophobicContact CE2-CD1 3.93Å; F28-L32 HydrophobicContact CE2-CD2 3.99Å; F28-L32 HydrophobicContact CE2-CG 3.79Å; F28-L32 HydrophobicContact CZ-CD1 3.31Å; F28-L32 HydrophobicContact CZ-CD2 4.09Å; F28-L32 HydrophobicContact CZ-CG 3.74Å; F28-L32 PolarHBondContact O-N 3.4Å; L29-L32 PolarHBondContact O-N 2.95Å; L30-L32 VanDerWaalsContact C-N 3.34Å; L30-L32 PolarHBondContact O-N 3.33Å; L32-F35 PolarHBondContact O-N 3.33Å; L32-S36 WeakPolarHBondContact O-CB 3.28Å; L32-S36 PolarHBondContact O-N 3.21Å; L32-S36 PolarHBondContact O-OG 3.39Å; L32-F73 HydrophobicContact CD1-CE1 4.39Å; L32-F73 HydrophobicContact CD1-CZ 4.38Å; L32-F73 HydrophobicContact CD2-CZ 4.23Å; L32-L77 HydrophobicContact CD1-CD1 4.18Å; L32-L77 HydrophobicContact CD1-CD2 4.23Å; L32-L77 HydrophobicContact CD2-CD2 3.92Å; L32-L291 HydrophobicContact CD2-CD2 3.94Å; L32-L294 HydrophobicContact CD2-CB 4.34Å; L32-L294 HydrophobicContact CD2-CD1 3.94Å; L32-D307 HydrophobicContact CD1-CB 4.13Å; L32-V311 HydrophobicContact CB-CG1 4.17Å; L32-V311 HydrophobicContact CB-CG2 3.65Å; L32-V311 HydrophobicContact CD1-CG2 4Å |
| 33 | I | 98 | Very high | 94.5 | Very high | 15 Ų | 15 | 24.3 Ų | 24.3 | 8% | 0.077 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63 | -48.8 | 177.4 | -67.8 | 166.3 | 0 | 0 | 0 | 110.4 | L29 L30 F35 S36 V37 Y236 V311 I314 | L29-I33 HydrophobicContact CD1-CD1 4.44Å; L29-I33 HydrophobicContact CG-CD1 4.06Å; L29-I33 VanDerWaalsContact O-CG1 3.31Å; L29-I33 WeakPolarHBondContact O-CG1 3.32Å; L29-I33 PolarHBondContact O-N 2.99Å; L30-I33 PolarHBondContact O-N 3.04Å; I33-F35 VanDerWaalsContact C-N 3.27Å; I33-F35 PolarHBondContact O-N 2.73Å; I33-S36 PolarHBondContact O-N 2.75Å; I33-V37 HydrophobicContact CG2-CG2 4.13Å; I33-V37 VanDerWaalsContact O-CB 3.31Å; I33-V37 WeakPolarHBondContact O-CB 3.42Å; I33-V37 WeakPolarHBondContact O-CG2 3.24Å; I33-V37 PolarHBondContact O-N 2.91Å; I33-Y236 HydrophobicContact CG2-CE2 4.03Å; I33-V311 HydrophobicContact CG1-CG2 4.07Å; I33-I314 HydrophobicContact CD1-CD1 3.63Å; I33-I314 HydrophobicContact CG1-CD1 4.16Å; I33-I314 HydrophobicContact CG1-CG2 4.33Å; I33-I314 HydrophobicContact CG2-CG2 4.03Å |
| 34 | G | 96.7 | Very high | 94.5 | Very high | 2 Ų | 2 | 24.5 Ų | 24.5 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63 | -32.5 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | L30 D384 | L30-G34 PolarHBondContact O-N 3.39Å; G34-D384 WeakPolarHBondContact CA-OD2 3.28Å; G34-D384 VanDerWaalsContact O-CB 3.24Å; G34-D384 WeakPolarHBondContact O-CB 3.26Å |
| 35 | F | 97 | Very high | 94.6 | Very high | 17 Ų | 17 | 21.4 Ų | 21.4 | 8% | 0.075 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -70.7 | -47.3 | 172.1 | 172.8 | -118.4 | 0 | 0 | 0 | 112.3 | A31 L32 I33 L284 F288 V290 L291 A388 | A31-F35 WeakPolarHBondContact O-CB 3.23Å; A31-F35 PolarHBondContact O-N 2.87Å; L32-F35 PolarHBondContact O-N 3.33Å; I33-F35 VanDerWaalsContact C-N 3.27Å; I33-F35 PolarHBondContact O-N 2.73Å; F35-L284 WeakPolarHBondContact CE1-O 3.37Å; F35-F288 HydrophobicContact CZ-CB 4.38Å; F35-V290 HydrophobicContact CB-CG1 4.45Å; F35-V290 HydrophobicContact CD1-CB 4.27Å; F35-V290 HydrophobicContact CD1-CG1 3.68Å; F35-V290 HydrophobicContact CD2-CB 4.37Å; F35-V290 HydrophobicContact CD2-CG1 3.74Å; F35-V290 HydrophobicContact CD2-CG2 4.4Å; F35-V290 HydrophobicContact CE1-CB 3.78Å; F35-V290 HydrophobicContact CE1-CG1 3.72Å; F35-V290 HydrophobicContact CE1-CG2 4.45Å; F35-V290 HydrophobicContact CE2-CB 3.9Å; F35-V290 HydrophobicContact CE2-CG1 3.78Å; F35-V290 HydrophobicContact CE2-CG2 3.72Å; F35-V290 HydrophobicContact CG-CG1 3.67Å; F35-V290 HydrophobicContact CZ-CB 3.56Å; F35-V290 HydrophobicContact CZ-CG1 3.76Å; F35-V290 HydrophobicContact CZ-CG2 3.73Å; F35-L291 HydrophobicContact CD1-CD2 3.8Å; F35-L291 HydrophobicContact CE1-CD2 3.77Å; F35-L291 HydrophobicContact CE1-CG 4.2Å; F35-A388 HydrophobicContact CB-CB 3.82Å; F35-A388 HydrophobicContact CD2-CB 3.67Å; F35-A388 HydrophobicContact CG-CB 3.96Å |
| 36 | S | 97.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -77.9 | -27 | -173.3 | -64.9 | 0 | 0 | 0 | 0 | 114.1 | L32 I33 N41 F73 S283 N315 | L32-S36 WeakPolarHBondContact O-CB 3.28Å; L32-S36 PolarHBondContact O-N 3.21Å; L32-S36 PolarHBondContact O-OG 3.39Å; I33-S36 PolarHBondContact O-N 2.75Å; S36-N41 PolarHBondContact O-OD1 2.88Å; S36-F73 WeakPolarHBondContact OG-CE2 3.26Å; S36-S283 CarbonylContact C-O 3.56Å; S36-S283 WeakPolarHBondContact CA-O 3.41Å; S36-S283 CarbonylContact O-C 3.49Å; S36-S283 PolarHBondContact O-OG 2.66Å; S36-S283 VanDerWaalsContact O-OG 3.12Å; S36-N315 PolarHBondContact O-OD1 3.25Å |
| 37 | V | 97 | Very high | 94.2 | Very high | 4 Ų | 4 | 13.1 Ų | 13.1 | 2% | 0.024 | 6% | 0.062 | C | C | . | . | S | Bend | trans | -96.3 | 99.3 | 173.3 | -178.3 | 0 | 0 | 0 | 0 | 107.4 | I33 N41 I314 T318 L381 | I33-V37 HydrophobicContact CG2-CG2 4.13Å; I33-V37 VanDerWaalsContact O-CB 3.31Å; I33-V37 WeakPolarHBondContact O-CB 3.42Å; I33-V37 WeakPolarHBondContact O-CG2 3.24Å; I33-V37 PolarHBondContact O-N 2.91Å; V37-N41 WeakPolarHBondContact CA-OD1 3.34Å; V37-I314 HydrophobicContact CG2-CG2 4.42Å; V37-T318 HydrophobicContact CG1-CG2 3.5Å; V37-T318 VanDerWaalsContact CG1-CG2 3.5Å; V37-T318 HydrophobicContact CG2-CG2 4.39Å; V37-L381 HydrophobicContact CB-CD2 4.46Å; V37-L381 HydrophobicContact CG1-CD2 3.72Å; V37-L381 WeakPolarHBondContact O-CD2 3.28Å |
| 38 | D | 94.3 | Very high | 93.9 | Very high | 19 Ų | 19 | 14.2 Ų | 14.2 | 10% | 0.102 | 7% | 0.067 | C | C | . | . | trans | -118.9 | -175.8 | -172.6 | 71.5 | 6.7 | 0 | 0 | 0 | 112 | G40 N41 S385 | D38-G40 PolarHBondContact O-N 2.57Å; D38-G40 WeakPolarHBondContact OD1-CA 3.06Å; D38-G40 PolarHBondContact OD1-N 2.82Å; D38-N41 PolarHBondContact N-OD1 2.68Å; D38-N41 PolarHBondContact O-N 3.03Å; D38-N41 PolarHBondContact OD1-N 2.65Å; D38-N41 VanDerWaalsContact OD1-N 3.12Å; D38-N41 PolarHBondContact OD1-OD1 3.44Å; D38-S385 VanDerWaalsContact CB-OG 3.32Å; D38-S385 WeakPolarHBondContact CB-OG 3.39Å | ||
| 39 | L | 93.2 | Very high | 93.7 | Very high | 4 Ų | 4 | 14.2 Ų | 14.2 | 2% | 0.021 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -53.4 | -37.6 | 172.6 | -68.4 | 177.3 | 0 | 0 | 0 | 111.9 | N41 V42 W43 Y116 V119 L378 L381 | L39-N41 VanDerWaalsContact C-N 3.29Å; L39-N41 PolarHBondContact O-N 2.98Å; L39-V42 PolarHBondContact O-N 3.09Å; L39-W43 HydrophobicContact CB-CZ2 4.46Å; L39-W43 PolarHBondContact O-N 3.19Å; L39-W43 PolarHBondContact O-NE1 3.1Å; L39-Y116 HydrophobicContact CB-CE2 4.45Å; L39-Y116 HydrophobicContact CD1-CE1 4.27Å; L39-Y116 HydrophobicContact CD1-CE2 3.96Å; L39-Y116 WeakPolarHBondContact CG-OH 3.48Å; L39-Y116 PolarHBondContact N-OH 3.46Å; L39-V119 HydrophobicContact CD1-CG1 3.87Å; L39-L378 HydrophobicContact CD2-CB 3.9Å; L39-L378 HydrophobicContact CD2-CD2 3.63Å; L39-L378 HydrophobicContact CD2-CG 4.34Å; L39-L378 WeakPolarHBondContact CD2-O 3.42Å; L39-L381 HydrophobicContact CD2-CB 4.28Å |
| 40 | G | 91.6 | Very high | 93.2 | Very high | 6 Ų | 6 | 14.5 Ų | 14.5 | 6% | 0.062 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -50.8 | -42.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | D38 V42 W43 R44 F45 | D38-G40 PolarHBondContact O-N 2.57Å; D38-G40 WeakPolarHBondContact OD1-CA 3.06Å; D38-G40 PolarHBondContact OD1-N 2.82Å; G40-V42 VanDerWaalsContact C-N 3.3Å; G40-V42 PolarHBondContact O-N 2.72Å; G40-W43 VanDerWaalsContact CA-CD1 3.43Å; G40-R44 WeakPolarHBondContact O-CB 3.25Å; G40-R44 PolarHBondContact O-N 3.22Å; G40-F45 PolarHBondContact O-N 3.11Å |
| 41 | N | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63.1 | -35.1 | 176.5 | -63 | 90.8 | 0 | 0 | 0 | 113 | S36 V37 D38 L39 S283 N315 S319 S322 | S36-N41 PolarHBondContact O-OD1 2.88Å; V37-N41 WeakPolarHBondContact CA-OD1 3.34Å; D38-N41 PolarHBondContact N-OD1 2.68Å; D38-N41 PolarHBondContact O-N 3.03Å; D38-N41 PolarHBondContact OD1-N 2.65Å; D38-N41 VanDerWaalsContact OD1-N 3.12Å; D38-N41 PolarHBondContact OD1-OD1 3.44Å; L39-N41 VanDerWaalsContact C-N 3.29Å; L39-N41 PolarHBondContact O-N 2.98Å; N41-S283 PolarHBondContact ND2-OG 3.02Å; N41-S283 VanDerWaalsContact ND2-OG 3.11Å; N41-S283 PolarHBondContact OD1-OG 2.63Å; N41-N315 PolarHBondContact ND2-OD1 2.91Å; N41-S319 PolarHBondContact ND2-OG 2.81Å; N41-S322 WeakPolarHBondContact O-CB 3.39Å |
| 42 | V | 91.3 | Very high | 92.4 | Very high | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.012 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -85.6 | -41 | -176.3 | 179.2 | 0 | 0 | 0 | 0 | 112.4 | L39 G40 P46 I326 F374 M377 L378 L381 | L39-V42 PolarHBondContact O-N 3.09Å; G40-V42 VanDerWaalsContact C-N 3.3Å; G40-V42 PolarHBondContact O-N 2.72Å; V42-P46 WeakPolarHBondContact O-CD 3.28Å; V42-P46 WeakPolarHBondContact O-CG 3.17Å; V42-I326 HydrophobicContact CG1-CD1 4.48Å; V42-F374 HydrophobicContact CG1-CE2 4.28Å; V42-M377 HydrophobicContact CG1-CE 3.83Å; V42-M377 HydrophobicContact CG2-CE 4.3Å; V42-M377 HydrophobicContact CG2-SD 4.39Å; V42-L378 HydrophobicContact CB-CD2 4.47Å; V42-L378 HydrophobicContact CG1-CD2 4.13Å; V42-L381 HydrophobicContact CB-CD1 4.45Å; V42-L381 HydrophobicContact CG2-CD1 3.42Å; V42-L381 VanDerWaalsContact CG2-CD1 3.42Å |
| 43 | W | 81.7 | Confident | 92 | Very high | 28 Ų | 28 | 20 Ų | 20 | 11% | 0.106 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -106.1 | -36.4 | -170.6 | 74.4 | -17.1 | 0 | 0 | 0 | 115.1 | L39 G40 V119 P350 L352 V353 F354 | L39-W43 HydrophobicContact CB-CZ2 4.46Å; L39-W43 PolarHBondContact O-N 3.19Å; L39-W43 PolarHBondContact O-NE1 3.1Å; G40-W43 VanDerWaalsContact CA-CD1 3.43Å; W43-V119 HydrophobicContact CH2-CG1 3.51Å; W43-V119 HydrophobicContact CH2-CG2 4.36Å; W43-V119 HydrophobicContact CZ2-CG1 4.45Å; W43-V119 HydrophobicContact CZ3-CG1 3.83Å; W43-P350 HydrophobicContact CE3-CB 4.44Å; W43-P350 HydrophobicContact CH2-CB 4.29Å; W43-P350 HydrophobicContact CZ3-CB 3.69Å; W43-L352 WeakPolarHBondContact O-CD2 3.25Å; W43-V353 HydrophobicContact CB-CB 4.09Å; W43-V353 HydrophobicContact CB-CG2 3.28Å; W43-V353 HydrophobicContact CE3-CB 4.15Å; W43-V353 HydrophobicContact CE3-CG1 4.48Å; W43-V353 HydrophobicContact CG-CG2 4.47Å; W43-F354 HydrophobicContact CE3-CE2 4.46Å; W43-F354 HydrophobicContact CZ3-CD2 4.37Å; W43-F354 AromaticContact CZ3-CE2 3.86Å; W43-F354 HydrophobicContact CZ3-CE2 3.86Å |
| 44 | R | 89.3 | Confident | 91.7 | Very high | 73 Ų | 73 | 19.5 Ų | 19.5 | 28% | 0.275 | 8% | 0.082 | S | C | . | . | H | α-helix | trans | -94.4 | -43.4 | -167.3 | -179.4 | -176.9 | -81.3 | -177.5 | -6.8 | 108.6 | G40 Y47 I48 D440 | G40-R44 WeakPolarHBondContact O-CB 3.25Å; G40-R44 PolarHBondContact O-N 3.22Å; R44-Y47 PolarHBondContact O-N 2.9Å; R44-I48 HydrophobicContact CG-CD1 3.52Å; R44-I48 HydrophobicContact CG-CG1 4.18Å; R44-I48 WeakPolarHBondContact O-CB 3.47Å; R44-I48 VanDerWaalsContact O-CG1 3.3Å; R44-I48 WeakPolarHBondContact O-CG1 3.32Å; R44-I48 PolarHBondContact O-N 2.68Å; R44-D440 IonicContact NH2-OD2 2.87Å; R44-D440 PolarHBondContact NH2-OD2 3.02Å |
| 45 | F | 93.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -58.8 | -51.6 | 177.8 | 174.1 | -89.6 | 0 | 0 | 0 | 113.2 | G40 Y47 I48 C49 F57 L58 Y61 F259 Q279 S319 I320 | G40-F45 PolarHBondContact O-N 3.11Å; F45-Y47 VanDerWaalsContact C-N 3.28Å; F45-Y47 PolarHBondContact O-N 3.02Å; F45-I48 PolarHBondContact O-N 3.06Å; F45-C49 HydrophobicContact CE1-CB 4.3Å; F45-C49 HydrophobicContact CZ-CB 4.35Å; F45-C49 WeakPolarHBondContact O-CB 3.18Å; F45-C49 PolarHBondContact O-N 2.87Å; F45-F57 HydrophobicContact CD2-CE1 4.48Å; F45-F57 HydrophobicContact CE2-CE1 4.19Å; F45-L58 HydrophobicContact CZ-CD2 3.84Å; F45-Y61 HydrophobicContact CD2-CD2 4.25Å; F45-Y61 AromaticContact CD2-CE2 3.8Å; F45-Y61 HydrophobicContact CD2-CE2 3.8Å; F45-Y61 HydrophobicContact CE2-CD1 4.1Å; F45-Y61 AromaticContact CE2-CD2 3.82Å; F45-Y61 HydrophobicContact CE2-CD2 3.82Å; F45-Y61 AromaticContact CE2-CE1 3.92Å; F45-Y61 HydrophobicContact CE2-CE1 3.92Å; F45-Y61 AromaticContact CE2-CE2 3.64Å; F45-Y61 HydrophobicContact CE2-CE2 3.64Å; F45-Y61 HydrophobicContact CE2-CG 4.04Å; F45-Y61 AromaticContact CE2-CZ 3.69Å; F45-F259 HydrophobicContact CE1-CE2 4.41Å; F45-F259 HydrophobicContact CE1-CZ 4.13Å; F45-Q279 HydrophobicContact CB-CG 4.47Å; F45-Q279 HydrophobicContact CD2-CG 4.05Å; F45-S319 WeakPolarHBondContact CD1-O 3.42Å; F45-S319 WeakPolarHBondContact CE1-O 3.32Å; F45-I320 HydrophobicContact CE1-CG1 4.27Å; F45-I320 HydrophobicContact CZ-CG1 4Å |
| 46 | P | 91.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.5 | -39.6 | -179 | -26.6 | 38.4 | 0 | 0 | 0 | 112.4 | V42 Y50 I326 F327 | V42-P46 WeakPolarHBondContact O-CD 3.28Å; V42-P46 WeakPolarHBondContact O-CG 3.17Å; P46-Y50 PolarHBondContact O-N 3.21Å; P46-I326 HydrophobicContact CB-CB 4.36Å; P46-I326 HydrophobicContact CB-CG2 4.38Å; P46-I326 HydrophobicContact CG-CB 4.47Å; P46-I326 HydrophobicContact CG-CG1 4.2Å; P46-F327 HydrophobicContact CB-CD2 4.33Å; P46-F327 HydrophobicContact CB-CE2 3.9Å |
| 47 | Y | 87.9 | Confident | 91.5 | Very high | 42 Ų | 42 | 19.2 Ų | 19.2 | 17% | 0.165 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.1 | -53.2 | 175.4 | 177.4 | -100.6 | 0 | 0 | 0 | 112.2 | R44 F45 C49 Y50 R51 | R44-Y47 PolarHBondContact O-N 2.9Å; F45-Y47 VanDerWaalsContact C-N 3.28Å; F45-Y47 PolarHBondContact O-N 3.02Å; Y47-C49 VanDerWaalsContact C-N 3.33Å; Y47-C49 PolarHBondContact O-N 3.32Å; Y47-Y50 AromaticContact CD2-CE1 3.85Å; Y47-Y50 HydrophobicContact CD2-CE1 3.85Å; Y47-Y50 HydrophobicContact CE2-CE1 4.11Å; Y47-Y50 WeakPolarHBondContact O-CD1 3.18Å; Y47-R51 VanDerWaalsContact O-CB 3.27Å; Y47-R51 WeakPolarHBondContact O-CB 3.26Å; Y47-R51 PolarHBondContact O-N 2.76Å; Y47-R51 VanDerWaalsContact O-N 3.07Å; Y47-R51 PolarHBondContact OH-NH1 2.67Å |
| 48 | I | 90.2 | Very high | 91.5 | Very high | 22 Ų | 22 | 20.5 Ų | 20.5 | 11% | 0.113 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -65 | -39.4 | -178.9 | -67.1 | 179.2 | 0 | 0 | 0 | 110.8 | R44 F45 R51 N52 F57 D275 | R44-I48 HydrophobicContact CG-CD1 3.52Å; R44-I48 HydrophobicContact CG-CG1 4.18Å; R44-I48 WeakPolarHBondContact O-CB 3.47Å; R44-I48 VanDerWaalsContact O-CG1 3.3Å; R44-I48 WeakPolarHBondContact O-CG1 3.32Å; R44-I48 PolarHBondContact O-N 2.68Å; F45-I48 PolarHBondContact O-N 3.06Å; I48-R51 PolarHBondContact O-N 2.7Å; I48-N52 VanDerWaalsContact CG2-ND2 3.35Å; I48-N52 WeakPolarHBondContact CG2-ND2 3.14Å; I48-N52 VanDerWaalsContact O-CB 3.26Å; I48-N52 WeakPolarHBondContact O-CB 3.38Å; I48-N52 PolarHBondContact O-N 2.74Å; I48-N52 PolarHBondContact O-ND2 2.81Å; I48-F57 HydrophobicContact CG2-CE1 4.13Å; I48-F57 HydrophobicContact CG2-CE2 3.73Å; I48-F57 HydrophobicContact CG2-CZ 3.47Å; I48-F57 VanDerWaalsContact CG2-CZ 3.47Å; I48-D275 HydrophobicContact CG2-CB 3.87Å |
| 49 | C | 92.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60 | -50.4 | -179.4 | -169.9 | 0 | 0 | 0 | 0 | 111.4 | F45 Y47 G53 G54 F57 F259 | F45-C49 HydrophobicContact CE1-CB 4.3Å; F45-C49 HydrophobicContact CZ-CB 4.35Å; F45-C49 WeakPolarHBondContact O-CB 3.18Å; F45-C49 PolarHBondContact O-N 2.87Å; Y47-C49 VanDerWaalsContact C-N 3.33Å; Y47-C49 PolarHBondContact O-N 3.32Å; C49-G53 PolarHBondContact O-N 3.09Å; C49-G54 VanDerWaalsContact O-CA 3.3Å; C49-G54 WeakPolarHBondContact O-CA 3.45Å; C49-G54 PolarHBondContact O-N 3.23Å; C49-G54 PolarHBondContact SG-O 2.96Å; C49-G54 VanDerWaalsContact SG-O 3.32Å; C49-F57 HydrophobicContact CB-CD1 3.89Å; C49-F57 HydrophobicContact CB-CE1 4.47Å; C49-F259 HydrophobicContact CB-CE2 3.92Å; C49-F259 VanDerWaalsContact SG-CE2 3.59Å |
| 50 | Y | 87.3 | Confident | 91.7 | Very high | 41 Ų | 41 | 22.5 Ų | 22.5 | 16% | 0.161 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -68.9 | -44.3 | 179.6 | 107 | -92.4 | 0 | 0 | 0 | 111.6 | P46 Y47 N52 G53 G54 Y258 F327 T345 | P46-Y50 PolarHBondContact O-N 3.21Å; Y47-Y50 AromaticContact CD2-CE1 3.85Å; Y47-Y50 HydrophobicContact CD2-CE1 3.85Å; Y47-Y50 HydrophobicContact CE2-CE1 4.11Å; Y47-Y50 WeakPolarHBondContact O-CD1 3.18Å; Y50-N52 PolarHBondContact O-N 2.82Å; Y50-G53 PolarHBondContact O-N 2.65Å; Y50-G53 VanDerWaalsContact O-N 3.09Å; Y50-G54 PolarHBondContact O-N 3.24Å; Y50-Y258 AromaticContact CD2-CE1 3.61Å; Y50-Y258 HydrophobicContact CD2-CE1 3.61Å; Y50-Y258 HydrophobicContact CE2-CE1 4.15Å; Y50-Y258 HydrophobicContact CG-CE1 4.26Å; Y50-F327 AromaticContact CD1-CZ 3.96Å; Y50-F327 HydrophobicContact CD1-CZ 3.96Å; Y50-F327 AromaticContact CG-CZ 3.89Å; Y50-F327 HydrophobicContact CG-CZ 3.89Å; Y50-T345 PolarHBondContact OH-OG1 2.8Å |
| 51 | R | 87.4 | Confident | 91.9 | Very high | 137 Ų | 137 | 22.2 Ų | 22.2 | 52% | 0.517 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -58 | -33.8 | -179.7 | 177.6 | 175.4 | 168.3 | 169.3 | -4.5 | 112.5 | Y47 I48 | Y47-R51 VanDerWaalsContact O-CB 3.27Å; Y47-R51 WeakPolarHBondContact O-CB 3.26Å; Y47-R51 PolarHBondContact O-N 2.76Å; Y47-R51 VanDerWaalsContact O-N 3.07Å; Y47-R51 PolarHBondContact OH-NH1 2.67Å; I48-R51 PolarHBondContact O-N 2.7Å |
| 52 | N | 90.5 | Very high | 92 | Very high | 9 Ų | 9 | 24.5 Ų | 24.5 | 5% | 0.048 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 22.8 | -178.8 | -68.8 | -28.2 | 0 | 0 | 0 | 114 | I48 Y50 F57 V272 D275 | I48-N52 VanDerWaalsContact CG2-ND2 3.35Å; I48-N52 WeakPolarHBondContact CG2-ND2 3.14Å; I48-N52 VanDerWaalsContact O-CB 3.26Å; I48-N52 WeakPolarHBondContact O-CB 3.38Å; I48-N52 PolarHBondContact O-N 2.74Å; I48-N52 PolarHBondContact O-ND2 2.81Å; Y50-N52 PolarHBondContact O-N 2.82Å; N52-F57 HydrophobicContact CB-CB 4.31Å; N52-F57 HydrophobicContact CB-CD2 3.46Å; N52-F57 VanDerWaalsContact CB-CD2 3.46Å; N52-F57 HydrophobicContact CB-CE2 4.08Å; N52-F57 HydrophobicContact CB-CG 4.15Å; N52-V272 HydrophobicContact CB-CB 4.36Å; N52-V272 HydrophobicContact CB-CG1 4.21Å; N52-V272 HydrophobicContact CB-CG2 3.75Å; N52-D275 WeakPolarHBondContact ND2-CB 3.45Å; N52-D275 PolarHBondContact ND2-OD2 2.83Å |
| 53 | G | 89 | Confident | 92.2 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 105.9 | 23.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | C49 Y50 G55 A56 Q263 | C49-G53 PolarHBondContact O-N 3.09Å; Y50-G53 PolarHBondContact O-N 2.65Å; Y50-G53 VanDerWaalsContact O-N 3.09Å; G53-G55 PolarHBondContact O-N 2.85Å; G53-A56 WeakPolarHBondContact O-CB 3.46Å; G53-A56 PolarHBondContact O-N 2.99Å; G53-A56 VanDerWaalsContact O-N 3.16Å; G53-Q263 PolarHBondContact O-N 3.19Å |
| 54 | G | 91.1 | Very high | 92.8 | Very high | 3 Ų | 3 | 26.3 Ų | 26.3 | 3% | 0.031 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | 59.9 | -123.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | C49 Y50 A56 F57 F259 | C49-G54 VanDerWaalsContact O-CA 3.3Å; C49-G54 WeakPolarHBondContact O-CA 3.45Å; C49-G54 PolarHBondContact O-N 3.23Å; C49-G54 PolarHBondContact SG-O 2.96Å; C49-G54 VanDerWaalsContact SG-O 3.32Å; Y50-G54 PolarHBondContact O-N 3.24Å; G54-A56 PolarHBondContact O-N 3.43Å; G54-A56 VanDerWaalsContact O-N 3.11Å; G54-F57 WeakPolarHBondContact O-CB 3.16Å; G54-F57 PolarHBondContact O-N 3.43Å; G54-F259 CarbonylContact C-O 3.58Å; G54-F259 VanDerWaalsContact CA-O 3.27Å; G54-F259 WeakPolarHBondContact CA-O 3.31Å |
| 55 | G | 93.7 | Very high | 93.1 | Very high | 14 Ų | 14 | 22.9 Ų | 22.9 | 14% | 0.144 | 11% | 0.111 | C | C | . | . | G | 310 helix | trans | -58.3 | -25.5 | -180 | 0 | 0 | 0 | 0 | 0 | 114.4 | G53 F57 L58 F259 L260 T261 | G53-G55 PolarHBondContact O-N 2.85Å; G55-F57 VanDerWaalsContact C-N 3.31Å; G55-F57 PolarHBondContact O-N 3.45Å; G55-L58 WeakPolarHBondContact O-CB 3.44Å; G55-L58 PolarHBondContact O-N 2.93Å; G55-F259 PolarHBondContact N-O 3.31Å; G55-L260 WeakPolarHBondContact CA-O 3.19Å; G55-L260 PolarHBondContact N-O 3.43Å; G55-T261 PolarHBondContact N-O 3.49Å |
| 56 | A | 96.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | G | 310 helix | trans | -64.9 | -35.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | G53 G54 L58 V59 P60 P262 Q263 W264 L267 | G53-A56 WeakPolarHBondContact O-CB 3.46Å; G53-A56 PolarHBondContact O-N 2.99Å; G53-A56 VanDerWaalsContact O-N 3.16Å; G54-A56 PolarHBondContact O-N 3.43Å; G54-A56 VanDerWaalsContact O-N 3.11Å; A56-L58 PolarHBondContact O-N 3.21Å; A56-V59 PolarHBondContact O-N 2.94Å; A56-V59 VanDerWaalsContact O-N 3.12Å; A56-P60 VanDerWaalsContact O-CD 3.25Å; A56-P60 WeakPolarHBondContact O-CD 3.31Å; A56-P262 HydrophobicContact CB-CB 4.04Å; A56-Q263 WeakPolarHBondContact CB-O 3.28Å; A56-W264 HydrophobicContact CB-CE3 4.05Å; A56-W264 HydrophobicContact CB-CZ3 4.33Å; A56-L267 HydrophobicContact CB-CD2 4.34Å; A56-L267 HydrophobicContact CB-CG 4.29Å |
| 57 | F | 96.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -61.5 | -23.5 | 178.6 | 179.6 | -99.8 | 0 | 0 | 0 | 113.3 | F45 I48 C49 N52 G54 G55 V59 P60 Y61 V272 D275 A276 | F45-F57 HydrophobicContact CD2-CE1 4.48Å; F45-F57 HydrophobicContact CE2-CE1 4.19Å; I48-F57 HydrophobicContact CG2-CE1 4.13Å; I48-F57 HydrophobicContact CG2-CE2 3.73Å; I48-F57 HydrophobicContact CG2-CZ 3.47Å; I48-F57 VanDerWaalsContact CG2-CZ 3.47Å; C49-F57 HydrophobicContact CB-CD1 3.89Å; C49-F57 HydrophobicContact CB-CE1 4.47Å; N52-F57 HydrophobicContact CB-CB 4.31Å; N52-F57 HydrophobicContact CB-CD2 3.46Å; N52-F57 VanDerWaalsContact CB-CD2 3.46Å; N52-F57 HydrophobicContact CB-CE2 4.08Å; N52-F57 HydrophobicContact CB-CG 4.15Å; G54-F57 WeakPolarHBondContact O-CB 3.16Å; G54-F57 PolarHBondContact O-N 3.43Å; G55-F57 VanDerWaalsContact C-N 3.31Å; G55-F57 PolarHBondContact O-N 3.45Å; F57-V59 PolarHBondContact O-N 3.11Å; F57-P60 HydrophobicContact CD2-CG 4.41Å; F57-P60 WeakPolarHBondContact O-CD 3.33Å; F57-P60 VanDerWaalsContact O-CG 3.24Å; F57-P60 WeakPolarHBondContact O-CG 3.25Å; F57-Y61 HydrophobicContact CE1-CD2 4.15Å; F57-Y61 HydrophobicContact CE1-CG 4.44Å; F57-Y61 VanDerWaalsContact O-CB 3.28Å; F57-Y61 WeakPolarHBondContact O-CB 3.45Å; F57-Y61 PolarHBondContact O-N 3.14Å; F57-Y61 VanDerWaalsContact O-N 3.07Å; F57-V272 HydrophobicContact CD2-CG1 4.08Å; F57-D275 HydrophobicContact CE2-CB 4.28Å; F57-A276 HydrophobicContact CE2-CB 3.76Å; F57-A276 HydrophobicContact CZ-CB 3.88Å |
| 58 | L | 96.6 | Very high | 93.3 | Very high | 31 Ų | 31 | 27.7 Ų | 27.7 | 16% | 0.162 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63 | -28.6 | 177.2 | -60.2 | -179.9 | 0 | 0 | 0 | 112.2 | F45 G55 A56 F62 I320 | F45-L58 HydrophobicContact CZ-CD2 3.84Å; G55-L58 WeakPolarHBondContact O-CB 3.44Å; G55-L58 PolarHBondContact O-N 2.93Å; A56-L58 PolarHBondContact O-N 3.21Å; L58-F62 HydrophobicContact CB-CD2 4.33Å; L58-F62 HydrophobicContact CB-CE2 4.39Å; L58-F62 WeakPolarHBondContact O-CB 3.2Å; L58-F62 WeakPolarHBondContact O-CD2 3.39Å; L58-F62 PolarHBondContact O-N 3.21Å; L58-I320 HydrophobicContact CD2-CD1 4.25Å; L58-I320 HydrophobicContact CD2-CG1 4.14Å |
| 59 | V | 96.8 | Very high | 93.5 | Very high | 65 Ų | 65 | 26.7 Ų | 26.7 | 39% | 0.394 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -62.6 | -61.4 | 176.5 | 178.2 | 0 | 0 | 0 | 0 | 111.6 | A56 F57 Y61 F62 V63 W264 | A56-V59 PolarHBondContact O-N 2.94Å; A56-V59 VanDerWaalsContact O-N 3.12Å; F57-V59 PolarHBondContact O-N 3.11Å; V59-Y61 VanDerWaalsContact C-N 3.25Å; V59-Y61 PolarHBondContact O-N 3.43Å; V59-F62 PolarHBondContact O-N 2.96Å; V59-V63 VanDerWaalsContact O-CG2 3.29Å; V59-V63 WeakPolarHBondContact O-CG2 3.4Å; V59-V63 PolarHBondContact O-N 3.39Å; V59-W264 HydrophobicContact CG2-CZ3 4.27Å |
| 60 | P | 95.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.3 | -32.8 | 177.1 | 24.6 | -33.9 | 0 | 0 | 0 | 112.2 | A56 F57 V63 M64 L267 V272 W273 A276 | A56-P60 VanDerWaalsContact O-CD 3.25Å; A56-P60 WeakPolarHBondContact O-CD 3.31Å; F57-P60 HydrophobicContact CD2-CG 4.41Å; F57-P60 WeakPolarHBondContact O-CD 3.33Å; F57-P60 VanDerWaalsContact O-CG 3.24Å; F57-P60 WeakPolarHBondContact O-CG 3.25Å; P60-V63 PolarHBondContact O-N 3.13Å; P60-M64 WeakPolarHBondContact O-CB 3.36Å; P60-M64 VanDerWaalsContact O-CG 3.27Å; P60-M64 WeakPolarHBondContact O-CG 3.36Å; P60-M64 PolarHBondContact O-N 3.07Å; P60-L267 HydrophobicContact CG-CD2 4Å; P60-V272 HydrophobicContact CG-CG1 3.85Å; P60-W273 HydrophobicContact CB-CD2 3.68Å; P60-W273 HydrophobicContact CB-CE3 3.43Å; P60-W273 VanDerWaalsContact CB-CE3 3.43Å; P60-W273 HydrophobicContact CB-CG 4.29Å; P60-W273 HydrophobicContact CB-CH2 4.12Å; P60-W273 HydrophobicContact CB-CZ2 4.33Å; P60-W273 HydrophobicContact CB-CZ3 3.67Å; P60-A276 HydrophobicContact CB-CB 3.85Å; P60-A276 HydrophobicContact CG-CB 4.32Å |
| 61 | Y | 96.2 | Very high | 94 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.5 | -52.3 | 174.3 | -178.4 | -104.2 | 0 | 0 | 0 | 112.4 | F45 F57 V59 M64 F65 Q279 I280 C316 S319 | F45-Y61 HydrophobicContact CD2-CD2 4.25Å; F45-Y61 AromaticContact CD2-CE2 3.8Å; F45-Y61 HydrophobicContact CD2-CE2 3.8Å; F45-Y61 HydrophobicContact CE2-CD1 4.1Å; F45-Y61 AromaticContact CE2-CD2 3.82Å; F45-Y61 HydrophobicContact CE2-CD2 3.82Å; F45-Y61 AromaticContact CE2-CE1 3.92Å; F45-Y61 HydrophobicContact CE2-CE1 3.92Å; F45-Y61 AromaticContact CE2-CE2 3.64Å; F45-Y61 HydrophobicContact CE2-CE2 3.64Å; F45-Y61 HydrophobicContact CE2-CG 4.04Å; F45-Y61 AromaticContact CE2-CZ 3.69Å; F57-Y61 HydrophobicContact CE1-CD2 4.15Å; F57-Y61 HydrophobicContact CE1-CG 4.44Å; F57-Y61 VanDerWaalsContact O-CB 3.28Å; F57-Y61 WeakPolarHBondContact O-CB 3.45Å; F57-Y61 PolarHBondContact O-N 3.14Å; F57-Y61 VanDerWaalsContact O-N 3.07Å; V59-Y61 VanDerWaalsContact C-N 3.25Å; V59-Y61 PolarHBondContact O-N 3.43Å; Y61-M64 PolarHBondContact O-N 3.39Å; Y61-F65 WeakPolarHBondContact O-CB 3.48Å; Y61-F65 PolarHBondContact O-N 3.23Å; Y61-Q279 HydrophobicContact CD2-CG 4.43Å; Y61-Q279 HydrophobicContact CE2-CG 3.91Å; Y61-I280 HydrophobicContact CD1-CD1 4.49Å; Y61-I280 HydrophobicContact CD2-CD1 3.69Å; Y61-I280 HydrophobicContact CD2-CG1 3.9Å; Y61-I280 HydrophobicContact CE1-CD1 4.13Å; Y61-I280 HydrophobicContact CE2-CD1 3.25Å; Y61-I280 HydrophobicContact CE2-CG1 3.85Å; Y61-I280 HydrophobicContact CG-CD1 4.29Å; Y61-I280 VanDerWaalsContact CZ-CD1 3.5Å; Y61-C316 HydrophobicContact CE1-CB 3.9Å; Y61-C316 WeakPolarHBondContact OH-CA 3.45Å; Y61-S319 PolarHBondContact OH-OG 3.37Å; Y61-S319 VanDerWaalsContact OH-OG 3.05Å |
| 62 | F | 97.2 | Very high | 94.3 | Very high | 48 Ų | 48 | 19.5 Ų | 19.5 | 21% | 0.211 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -70.5 | -32.4 | 178.5 | -79.1 | -62.9 | 0 | 0 | 0 | 113.2 | L58 V59 F65 I66 W313 C316 I320 | L58-F62 HydrophobicContact CB-CD2 4.33Å; L58-F62 HydrophobicContact CB-CE2 4.39Å; L58-F62 WeakPolarHBondContact O-CB 3.2Å; L58-F62 WeakPolarHBondContact O-CD2 3.39Å; L58-F62 PolarHBondContact O-N 3.21Å; V59-F62 PolarHBondContact O-N 2.96Å; F62-F65 HydrophobicContact CD1-CD1 4.18Å; F62-F65 PolarHBondContact O-N 3.05Å; F62-I66 WeakPolarHBondContact O-CB 3.33Å; F62-I66 VanDerWaalsContact O-CG1 3.31Å; F62-I66 WeakPolarHBondContact O-CG1 3.15Å; F62-I66 PolarHBondContact O-N 3.32Å; F62-W313 HydrophobicContact CD1-CH2 4.28Å; F62-W313 HydrophobicContact CD1-CZ3 4.13Å; F62-W313 HydrophobicContact CE1-CE3 4.27Å; F62-W313 HydrophobicContact CE1-CH2 4.1Å; F62-W313 AromaticContact CE1-CZ3 3.51Å; F62-W313 HydrophobicContact CE1-CZ3 3.51Å; F62-W313 HydrophobicContact CZ-CZ3 4.25Å; F62-C316 HydrophobicContact CE1-CB 3.93Å; F62-I320 HydrophobicContact CE2-CD1 3.92Å; F62-I320 HydrophobicContact CZ-CD1 3.62Å |
| 63 | V | 95.1 | Very high | 94.6 | Very high | 52 Ų | 52 | 19 Ų | 19 | 32% | 0.315 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -62.8 | -49.5 | 172.5 | 171.5 | 0 | 0 | 0 | 0 | 110.1 | V59 P60 F65 I66 F67 W273 | V59-V63 VanDerWaalsContact O-CG2 3.29Å; V59-V63 WeakPolarHBondContact O-CG2 3.4Å; V59-V63 PolarHBondContact O-N 3.39Å; P60-V63 PolarHBondContact O-N 3.13Å; V63-F65 VanDerWaalsContact C-N 3.31Å; V63-F65 PolarHBondContact O-N 3.49Å; V63-I66 PolarHBondContact O-N 3.32Å; V63-F67 HydrophobicContact CG1-CD2 3.96Å; V63-F67 HydrophobicContact CG1-CE2 4.44Å; V63-F67 WeakPolarHBondContact O-CB 3.49Å; V63-F67 VanDerWaalsContact O-CD2 3.31Å; V63-F67 WeakPolarHBondContact O-CD2 3.16Å; V63-F67 PolarHBondContact O-N 2.87Å; V63-W273 HydrophobicContact CB-CZ3 4.16Å; V63-W273 HydrophobicContact CG1-CZ3 4.04Å; V63-W273 HydrophobicContact CG2-CZ3 4.48Å |
| 64 | M | 93.6 | Very high | 94.9 | Very high | 16 Ų | 16 | 19.4 Ų | 19.4 | 8% | 0.079 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.3 | -36.2 | 177.9 | -69.6 | -62.9 | 176.5 | 0 | 0 | 112.2 | P60 Y61 C68 G69 W273 A276 A277 I280 I495 | P60-M64 WeakPolarHBondContact O-CB 3.36Å; P60-M64 VanDerWaalsContact O-CG 3.27Å; P60-M64 WeakPolarHBondContact O-CG 3.36Å; P60-M64 PolarHBondContact O-N 3.07Å; Y61-M64 PolarHBondContact O-N 3.39Å; M64-C68 WeakPolarHBondContact O-CA 3.4Å; M64-C68 VanDerWaalsContact O-CB 3.25Å; M64-C68 WeakPolarHBondContact O-CB 3.41Å; M64-C68 PolarHBondContact O-N 3.2Å; M64-G69 PolarHBondContact O-N 3.46Å; M64-W273 HydrophobicContact CE-CB 4.43Å; M64-W273 HydrophobicContact CE-CE3 4.11Å; M64-A276 HydrophobicContact CG-CB 4.27Å; M64-A277 HydrophobicContact CE-CB 4.14Å; M64-A277 HydrophobicContact CG-CB 3.92Å; M64-A277 HydrophobicContact SD-CB 3.76Å; M64-I280 HydrophobicContact CB-CG1 4.16Å; M64-I495 HydrophobicContact CE-CD1 4.45Å; M64-I495 HydrophobicContact CE-CG2 4.14Å; M64-I495 HydrophobicContact SD-CD1 4.15Å; M64-I495 HydrophobicContact SD-CG2 4Å |
| 65 | F | 95.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | I | π-helix | trans | -58.7 | -55.9 | 172 | 170.5 | -123.6 | 0 | 0 | 0 | 112.3 | Y61 F62 V63 G69 L70 I280 L284 W313 C316 | Y61-F65 WeakPolarHBondContact O-CB 3.48Å; Y61-F65 PolarHBondContact O-N 3.23Å; F62-F65 HydrophobicContact CD1-CD1 4.18Å; F62-F65 PolarHBondContact O-N 3.05Å; V63-F65 VanDerWaalsContact C-N 3.31Å; V63-F65 PolarHBondContact O-N 3.49Å; F65-G69 PolarHBondContact O-N 3.44Å; F65-L70 HydrophobicContact CD2-CB 4.36Å; F65-L70 HydrophobicContact CE2-CB 3.94Å; F65-L70 HydrophobicContact CE2-CD1 4.49Å; F65-L70 HydrophobicContact CZ-CB 4.33Å; F65-L70 HydrophobicContact CZ-CD2 4.48Å; F65-L70 WeakPolarHBondContact O-CB 3.47Å; F65-L70 PolarHBondContact O-N 3.27Å; F65-I280 HydrophobicContact CB-CD1 3.74Å; F65-I280 HydrophobicContact CB-CG1 4.33Å; F65-L284 HydrophobicContact CD2-CD1 4.12Å; F65-L284 HydrophobicContact CE2-CD1 4.33Å; F65-W313 AromaticContact CE1-CD2 3.97Å; F65-W313 HydrophobicContact CE1-CD2 3.97Å; F65-W313 AromaticContact CE1-CE2 3.83Å; F65-W313 HydrophobicContact CE1-CE3 4.41Å; F65-W313 HydrophobicContact CE1-CG 4.33Å; F65-W313 HydrophobicContact CE1-CZ2 4.15Å; F65-W313 HydrophobicContact CZ-CD2 4.47Å; F65-W313 HydrophobicContact CZ-CG 4.36Å; F65-C316 VanDerWaalsContact CG-SG 3.55Å |
| 66 | I | 95 | Very high | 95.3 | Very high | 61 Ų | 61 | 18.6 Ų | 18.6 | 31% | 0.313 | 10% | 0.096 | S | C | . | . | I | π-helix | trans | -68.9 | -40.8 | -172.3 | -71.3 | 168.6 | 0 | 0 | 0 | 111.7 | F62 V63 P71 F483 | F62-I66 WeakPolarHBondContact O-CB 3.33Å; F62-I66 VanDerWaalsContact O-CG1 3.31Å; F62-I66 WeakPolarHBondContact O-CG1 3.15Å; F62-I66 PolarHBondContact O-N 3.32Å; V63-I66 PolarHBondContact O-N 3.32Å; I66-P71 VanDerWaalsContact O-CD 3.32Å; I66-P71 WeakPolarHBondContact O-CD 3.34Å; I66-F483 HydrophobicContact CG2-CE1 4.38Å; I66-F483 HydrophobicContact CG2-CE2 4.43Å; I66-F483 HydrophobicContact CG2-CZ 3.64Å; I66-F483 WeakPolarHBondContact O-CZ 3.35Å |
| 67 | F | 92.8 | Very high | 95.4 | Very high | 82 Ų | 82 | 18.6 Ų | 18.6 | 36% | 0.36 | 10% | 0.096 | S | C | . | . | I | π-helix | trans | -94.6 | -18.4 | -171.3 | -72.5 | -87.9 | 0 | 0 | 0 | 114.5 | V63 F483 T491 | V63-F67 HydrophobicContact CG1-CD2 3.96Å; V63-F67 HydrophobicContact CG1-CE2 4.44Å; V63-F67 WeakPolarHBondContact O-CB 3.49Å; V63-F67 VanDerWaalsContact O-CD2 3.31Å; V63-F67 WeakPolarHBondContact O-CD2 3.16Å; V63-F67 PolarHBondContact O-N 2.87Å; F67-F483 AromaticContact CD1-CE2 3.95Å; F67-F483 HydrophobicContact CD1-CE2 3.95Å; F67-F483 HydrophobicContact CD1-CZ 4.15Å; F67-F483 AromaticContact CE1-CE2 3.68Å; F67-F483 HydrophobicContact CE1-CE2 3.68Å; F67-F483 HydrophobicContact CE1-CZ 4.27Å; F67-F483 HydrophobicContact CZ-CE2 4.26Å; F67-T491 HydrophobicContact CB-CG2 3.89Å |
| 68 | C | 90.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.007 | 10% | 0.096 | C | C | . | . | I | π-helix | trans | -128 | -57.7 | -176.5 | -50.4 | 0 | 0 | 0 | 0 | 112.3 | M64 P71 L72 F281 I495 | M64-C68 WeakPolarHBondContact O-CA 3.4Å; M64-C68 VanDerWaalsContact O-CB 3.25Å; M64-C68 WeakPolarHBondContact O-CB 3.41Å; M64-C68 PolarHBondContact O-N 3.2Å; C68-P71 WeakPolarHBondContact O-CD 3.41Å; C68-L72 WeakPolarHBondContact O-CB 3.41Å; C68-L72 WeakPolarHBondContact O-CG 3.26Å; C68-L72 PolarHBondContact O-N 2.99Å; C68-F281 HydrophobicContact CB-CE1 3.61Å; C68-F281 HydrophobicContact CB-CZ 3.66Å; C68-I495 WeakPolarHBondContact SG-CD1 3.27Å |
| 69 | G | 93.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.089 | C | C | . | . | I | π-helix | trans | -59.4 | -58.7 | -174 | 0 | 0 | 0 | 0 | 0 | 112.5 | M64 F65 L72 F73 | M64-G69 PolarHBondContact O-N 3.46Å; F65-G69 PolarHBondContact O-N 3.44Å; G69-L72 PolarHBondContact O-N 3.22Å; G69-F73 VanDerWaalsContact O-CB 3.27Å; G69-F73 WeakPolarHBondContact O-CB 3.41Å; G69-F73 PolarHBondContact O-N 3.25Å |
| 70 | L | 95.2 | Very high | 95.4 | Very high | 25 Ų | 25 | 14.2 Ų | 14.2 | 13% | 0.131 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -62.3 | -43.9 | -178.4 | -179.3 | 68 | 0 | 0 | 0 | 112.8 | F65 Y74 A308 F309 | F65-L70 HydrophobicContact CD2-CB 4.36Å; F65-L70 HydrophobicContact CE2-CB 3.94Å; F65-L70 HydrophobicContact CE2-CD1 4.49Å; F65-L70 HydrophobicContact CZ-CB 4.33Å; F65-L70 HydrophobicContact CZ-CD2 4.48Å; F65-L70 WeakPolarHBondContact O-CB 3.47Å; F65-L70 PolarHBondContact O-N 3.27Å; L70-Y74 WeakPolarHBondContact O-CB 3.48Å; L70-Y74 PolarHBondContact O-N 3.08Å; L70-A308 HydrophobicContact CD1-CB 4.17Å; L70-A308 VanDerWaalsContact CD1-O 3.25Å; L70-A308 WeakPolarHBondContact CD1-O 3.21Å; L70-F309 HydrophobicContact CD2-CD2 4.36Å |
| 71 | P | 94.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -59.7 | -44.4 | 173.4 | -26.8 | 34.6 | 0 | 0 | 0 | 114.2 | I66 C68 M75 L484 C487 W488 | I66-P71 VanDerWaalsContact O-CD 3.32Å; I66-P71 WeakPolarHBondContact O-CD 3.34Å; C68-P71 WeakPolarHBondContact O-CD 3.41Å; P71-M75 WeakPolarHBondContact O-CB 3.41Å; P71-M75 PolarHBondContact O-N 3.22Å; P71-L484 HydrophobicContact CB-CD2 3.96Å; P71-L484 HydrophobicContact CG-CD2 3.97Å; P71-C487 HydrophobicContact CB-CB 3.88Å; P71-C487 HydrophobicContact CG-CB 3.64Å; P71-W488 VanDerWaalsContact C-NE1 3.28Å; P71-W488 PolarHBondContact O-NE1 3.27Å |
| 72 | L | 94.2 | Very high | 95.4 | Very high | 2 Ų | 2 | 17.7 Ų | 17.7 | 1% | 0.01 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -69.7 | -41.7 | 179.8 | -71.4 | 172.7 | 0 | 0 | 0 | 111.8 | C68 G69 Y74 M75 E76 F281 P286 V452 A456 C492 | C68-L72 WeakPolarHBondContact O-CB 3.41Å; C68-L72 WeakPolarHBondContact O-CG 3.26Å; C68-L72 PolarHBondContact O-N 2.99Å; G69-L72 PolarHBondContact O-N 3.22Å; L72-Y74 VanDerWaalsContact C-N 3.32Å; L72-Y74 PolarHBondContact O-N 3.36Å; L72-M75 HydrophobicContact CD2-CE 3.68Å; L72-M75 WeakPolarHBondContact O-CB 3.43Å; L72-M75 PolarHBondContact O-N 3.1Å; L72-M75 VanDerWaalsContact O-N 3.08Å; L72-E76 PolarHBondContact O-N 3.01Å; L72-F281 HydrophobicContact CD1-CD1 4.4Å; L72-F281 HydrophobicContact CD1-CE1 3.68Å; L72-F281 HydrophobicContact CD1-CZ 4.07Å; L72-P286 HydrophobicContact CB-CB 4.04Å; L72-P286 HydrophobicContact CB-CG 4.02Å; L72-V452 HydrophobicContact CD1-CG2 3.96Å; L72-V452 HydrophobicContact CD2-CG2 4.46Å; L72-A456 HydrophobicContact CD2-CB 3.83Å; L72-C492 HydrophobicContact CD2-CB 4.22Å |
| 73 | F | 96.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -57 | -47.5 | 174.2 | -167.4 | -82.8 | 0 | 0 | 0 | 111.3 | L32 S36 G69 M75 E76 L77 L284 L291 A308 V311 | L32-F73 HydrophobicContact CD1-CE1 4.39Å; L32-F73 HydrophobicContact CD1-CZ 4.38Å; L32-F73 HydrophobicContact CD2-CZ 4.23Å; S36-F73 WeakPolarHBondContact OG-CE2 3.26Å; G69-F73 VanDerWaalsContact O-CB 3.27Å; G69-F73 WeakPolarHBondContact O-CB 3.41Å; G69-F73 PolarHBondContact O-N 3.25Å; F73-M75 VanDerWaalsContact C-N 3.3Å; F73-M75 PolarHBondContact O-N 2.98Å; F73-E76 PolarHBondContact O-N 3.4Å; F73-L77 HydrophobicContact CD1-CD1 3.71Å; F73-L77 HydrophobicContact CD1-CG 4.07Å; F73-L77 HydrophobicContact CE1-CD1 3.43Å; F73-L77 VanDerWaalsContact CE1-CD1 3.43Å; F73-L77 HydrophobicContact CE1-CD2 4.4Å; F73-L77 HydrophobicContact CE1-CG 3.99Å; F73-L77 HydrophobicContact CZ-CD1 4.49Å; F73-L77 WeakPolarHBondContact O-CG 3.16Å; F73-L77 PolarHBondContact O-N 3Å; F73-L77 VanDerWaalsContact O-N 3.12Å; F73-L284 HydrophobicContact CD2-CB 3.95Å; F73-L284 HydrophobicContact CD2-CD2 4.18Å; F73-L284 HydrophobicContact CD2-CG 4.48Å; F73-L284 HydrophobicContact CE2-CB 4.48Å; F73-L284 HydrophobicContact CE2-CD2 4.32Å; F73-L284 WeakPolarHBondContact CE2-O 3.41Å; F73-L291 HydrophobicContact CB-CD1 4.25Å; F73-L291 HydrophobicContact CD1-CD1 4.48Å; F73-L291 HydrophobicContact CD2-CD1 3.28Å; F73-L291 HydrophobicContact CD2-CD2 3.91Å; F73-L291 HydrophobicContact CD2-CG 4.24Å; F73-L291 HydrophobicContact CE1-CD2 4.47Å; F73-L291 HydrophobicContact CE2-CD1 3.68Å; F73-L291 HydrophobicContact CE2-CD2 3.32Å; F73-L291 HydrophobicContact CE2-CG 4.14Å; F73-L291 HydrophobicContact CG-CD1 3.76Å; F73-L291 HydrophobicContact CZ-CD1 4.42Å; F73-L291 HydrophobicContact CZ-CD2 3.65Å; F73-A308 HydrophobicContact CD1-CB 3.79Å; F73-A308 HydrophobicContact CE1-CB 4.28Å; F73-V311 HydrophobicContact CE1-CB 4.33Å; F73-V311 HydrophobicContact CE1-CG1 4.43Å; F73-V311 HydrophobicContact CE2-CG1 4.29Å; F73-V311 HydrophobicContact CZ-CB 4.09Å; F73-V311 HydrophobicContact CZ-CG1 3.71Å |
| 74 | Y | 96.4 | Very high | 95.3 | Very high | 7 Ų | 7 | 17.2 Ų | 17.2 | 3% | 0.027 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -58 | -43.2 | 174.3 | 179.1 | -80.4 | 0 | 0 | 0 | 112.3 | L70 L72 L77 A78 F304 Y305 A308 V472 L476 P480 L484 W488 | L70-Y74 WeakPolarHBondContact O-CB 3.48Å; L70-Y74 PolarHBondContact O-N 3.08Å; L72-Y74 VanDerWaalsContact C-N 3.32Å; L72-Y74 PolarHBondContact O-N 3.36Å; Y74-L77 PolarHBondContact O-N 2.85Å; Y74-A78 WeakPolarHBondContact O-CB 3.27Å; Y74-A78 PolarHBondContact O-N 2.72Å; Y74-F304 HydrophobicContact CD1-CE2 4.19Å; Y74-F304 HydrophobicContact CD2-CD2 4.09Å; Y74-F304 HydrophobicContact CD2-CE2 4.04Å; Y74-F304 AromaticContact CE1-CE2 3.69Å; Y74-F304 HydrophobicContact CE1-CE2 3.69Å; Y74-F304 HydrophobicContact CE1-CZ 4.48Å; Y74-F304 AromaticContact CE2-CD2 3.82Å; Y74-F304 HydrophobicContact CE2-CD2 3.82Å; Y74-F304 AromaticContact CE2-CE2 3.46Å; Y74-F304 HydrophobicContact CE2-CE2 3.46Å; Y74-F304 VanDerWaalsContact CE2-CE2 3.46Å; Y74-F304 HydrophobicContact CE2-CZ 4.47Å; Y74-F304 HydrophobicContact CG-CE2 4.39Å; Y74-F304 AromaticContact CZ-CE2 3.31Å; Y74-Y305 HydrophobicContact CD2-CD2 4.06Å; Y74-Y305 AromaticContact CE2-CD2 3.63Å; Y74-Y305 HydrophobicContact CE2-CD2 3.63Å; Y74-Y305 HydrophobicContact CE2-CG 4.18Å; Y74-A308 HydrophobicContact CD2-CB 4.28Å; Y74-V472 HydrophobicContact CE1-CG2 4.26Å; Y74-V472 WeakPolarHBondContact OH-CG1 3.34Å; Y74-L476 HydrophobicContact CE2-CD1 4.45Å; Y74-L476 WeakPolarHBondContact OH-CD1 3.26Å; Y74-P480 HydrophobicContact CE1-CG 4.49Å; Y74-L484 HydrophobicContact CD2-CD1 4.45Å; Y74-L484 HydrophobicContact CE1-CD1 4.46Å; Y74-L484 HydrophobicContact CE2-CD1 4.44Å; Y74-L484 HydrophobicContact CG-CD1 4.46Å; Y74-W488 AromaticContact CD1-CH2 3.59Å; Y74-W488 HydrophobicContact CD1-CH2 3.59Å; Y74-W488 AromaticContact CD1-CZ2 3.4Å; Y74-W488 HydrophobicContact CD1-CZ2 3.4Å; Y74-W488 AromaticContact CE1-CH2 3.6Å; Y74-W488 HydrophobicContact CE1-CH2 3.6Å; Y74-W488 AromaticContact CE1-CZ2 3.93Å; Y74-W488 HydrophobicContact CE1-CZ2 3.93Å; Y74-W488 HydrophobicContact CG-CZ2 4.26Å |
| 75 | M | 95.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.005 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -61.9 | -48.2 | -177.7 | -175.8 | -177 | 71.5 | 0 | 0 | 111.2 | P71 L72 F73 A78 L79 E455 A456 V459 F468 W488 | P71-M75 WeakPolarHBondContact O-CB 3.41Å; P71-M75 PolarHBondContact O-N 3.22Å; L72-M75 HydrophobicContact CD2-CE 3.68Å; L72-M75 WeakPolarHBondContact O-CB 3.43Å; L72-M75 PolarHBondContact O-N 3.1Å; L72-M75 VanDerWaalsContact O-N 3.08Å; F73-M75 VanDerWaalsContact C-N 3.3Å; F73-M75 PolarHBondContact O-N 2.98Å; M75-A78 WeakPolarHBondContact O-CB 3.17Å; M75-A78 PolarHBondContact O-N 3.18Å; M75-L79 HydrophobicContact CG-CD1 4.12Å; M75-L79 VanDerWaalsContact O-CG 3.31Å; M75-L79 WeakPolarHBondContact O-CG 3.18Å; M75-L79 PolarHBondContact O-N 3.46Å; M75-E455 HydrophobicContact CE-CG 4.16Å; M75-A456 HydrophobicContact CE-CB 4.28Å; M75-V459 HydrophobicContact CG-CG1 4.03Å; M75-V459 HydrophobicContact SD-CB 3.88Å; M75-V459 HydrophobicContact SD-CG1 3.73Å; M75-V459 HydrophobicContact SD-CG2 4.23Å; M75-F468 HydrophobicContact CB-CZ 4.35Å; M75-F468 HydrophobicContact CG-CE1 4.31Å; M75-F468 HydrophobicContact CG-CE2 4.37Å; M75-F468 HydrophobicContact CG-CZ 3.88Å; M75-W488 HydrophobicContact CB-CZ2 4.41Å |
| 76 | E | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -64.4 | -41.5 | 178.5 | -83.6 | -171.9 | -141.1 | 0 | 0 | 113 | L72 F73 A78 L79 G80 P286 G287 L291 I292 E455 | L72-E76 PolarHBondContact O-N 3.01Å; F73-E76 PolarHBondContact O-N 3.4Å; E76-A78 VanDerWaalsContact C-N 3.28Å; E76-A78 PolarHBondContact O-N 3.48Å; E76-L79 PolarHBondContact O-N 2.92Å; E76-G80 PolarHBondContact O-N 2.92Å; E76-P286 VanDerWaalsContact OE1-C 3.32Å; E76-P286 WeakPolarHBondContact OE1-CA 3.49Å; E76-P286 WeakPolarHBondContact OE1-CB 3.46Å; E76-G287 PolarHBondContact OE1-N 3.44Å; E76-L291 HydrophobicContact CB-CB 3.71Å; E76-L291 HydrophobicContact CB-CD1 4.13Å; E76-L291 WeakPolarHBondContact OE2-CB 3.5Å; E76-I292 HydrophobicContact CB-CG1 3.93Å; E76-I292 HydrophobicContact CG-CD1 4.11Å; E76-I292 HydrophobicContact CG-CG1 3.9Å; E76-E455 WeakPolarHBondContact CG-OE1 3.27Å |
| 77 | L | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -61.2 | -39.3 | 174.9 | -68.2 | -173 | 0 | 0 | 0 | 111.9 | F28 L32 F73 Y74 Q81 L291 S295 F304 A308 | F28-L77 HydrophobicContact CZ-CD2 4.16Å; L32-L77 HydrophobicContact CD1-CD1 4.18Å; L32-L77 HydrophobicContact CD1-CD2 4.23Å; L32-L77 HydrophobicContact CD2-CD2 3.92Å; F73-L77 HydrophobicContact CD1-CD1 3.71Å; F73-L77 HydrophobicContact CD1-CG 4.07Å; F73-L77 HydrophobicContact CE1-CD1 3.43Å; F73-L77 VanDerWaalsContact CE1-CD1 3.43Å; F73-L77 HydrophobicContact CE1-CD2 4.4Å; F73-L77 HydrophobicContact CE1-CG 3.99Å; F73-L77 HydrophobicContact CZ-CD1 4.49Å; F73-L77 WeakPolarHBondContact O-CG 3.16Å; F73-L77 PolarHBondContact O-N 3Å; F73-L77 VanDerWaalsContact O-N 3.12Å; Y74-L77 PolarHBondContact O-N 2.85Å; L77-Q81 VanDerWaalsContact O-CB 3.27Å; L77-Q81 WeakPolarHBondContact O-CB 3.47Å; L77-Q81 PolarHBondContact O-N 3.49Å; L77-L291 HydrophobicContact CD2-CB 3.98Å; L77-L291 HydrophobicContact CD2-CD2 4.5Å; L77-S295 WeakPolarHBondContact O-CB 3.44Å; L77-S295 PolarHBondContact O-OG 2.82Å; L77-F304 HydrophobicContact CB-CB 4.08Å; L77-F304 HydrophobicContact CB-CD2 4.24Å; L77-F304 HydrophobicContact CB-CG 4.45Å; L77-F304 HydrophobicContact CD1-CB 4.31Å; L77-A308 HydrophobicContact CD1-CB 4.09Å |
| 78 | A | 97.2 | Very high | 95.5 | Very high | 1 Ų | 1 | 10.1 Ų | 10.1 | 1% | 0.008 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -65.9 | -44.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y74 M75 E76 Q81 Y82 F304 F468 V472 M475 | Y74-A78 WeakPolarHBondContact O-CB 3.27Å; Y74-A78 PolarHBondContact O-N 2.72Å; M75-A78 WeakPolarHBondContact O-CB 3.17Å; M75-A78 PolarHBondContact O-N 3.18Å; E76-A78 VanDerWaalsContact C-N 3.28Å; E76-A78 PolarHBondContact O-N 3.48Å; A78-Q81 PolarHBondContact O-N 2.87Å; A78-Y82 WeakPolarHBondContact O-CB 3.3Å; A78-Y82 PolarHBondContact O-N 3.19Å; A78-F304 HydrophobicContact CB-CD2 4.27Å; A78-F304 HydrophobicContact CB-CE2 3.5Å; A78-F304 VanDerWaalsContact CB-CE2 3.5Å; A78-F304 HydrophobicContact CB-CZ 3.67Å; A78-F468 HydrophobicContact CB-CE2 3.81Å; A78-F468 HydrophobicContact CB-CZ 3.6Å; A78-V472 HydrophobicContact CB-CG2 4.1Å; A78-M475 HydrophobicContact CB-CE 4.33Å |
| 79 | L | 96.8 | Very high | 95.7 | Very high | 2 Ų | 2 | 10.7 Ų | 10.7 | 1% | 0.01 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -61.9 | -47.8 | 179.5 | -71.8 | 167.9 | 0 | 0 | 0 | 111.4 | M75 E76 Y82 H83 L90 L94 E455 V459 F468 | M75-L79 HydrophobicContact CG-CD1 4.12Å; M75-L79 VanDerWaalsContact O-CG 3.31Å; M75-L79 WeakPolarHBondContact O-CG 3.18Å; M75-L79 PolarHBondContact O-N 3.46Å; E76-L79 PolarHBondContact O-N 2.92Å; L79-Y82 PolarHBondContact O-N 2.97Å; L79-H83 WeakPolarHBondContact O-CB 3.47Å; L79-H83 PolarHBondContact O-CD2 2.94Å; L79-H83 PolarHBondContact O-N 3.1Å; L79-L90 HydrophobicContact CB-CD1 4.37Å; L79-L90 HydrophobicContact CB-CD2 4.2Å; L79-L90 HydrophobicContact CD1-CD2 4.36Å; L79-L90 HydrophobicContact CD2-CD1 4.49Å; L79-L94 HydrophobicContact CD2-CD1 4.38Å; L79-L94 HydrophobicContact CD2-CD2 4.04Å; L79-E455 WeakPolarHBondContact CD1-OE1 3.28Å; L79-V459 HydrophobicContact CD1-CG2 3.7Å; L79-V459 HydrophobicContact CD2-CG2 4.29Å; L79-F468 HydrophobicContact CD2-CD2 4.16Å; L79-F468 HydrophobicContact CD2-CE2 3.96Å; L79-F468 HydrophobicContact CG-CE2 4.02Å |
| 80 | G | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -63.1 | -48.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E76 Y82 R84 I292 S295 S296 | E76-G80 PolarHBondContact O-N 2.92Å; G80-Y82 PolarHBondContact O-N 3.3Å; G80-R84 VanDerWaalsContact O-CA 3.32Å; G80-R84 WeakPolarHBondContact O-CA 3.25Å; G80-R84 PolarHBondContact O-N 3.45Å; G80-I292 WeakPolarHBondContact CA-O 3.19Å; G80-S295 VanDerWaalsContact CA-OG 3.31Å; G80-S295 WeakPolarHBondContact CA-OG 3.46Å; G80-S296 WeakPolarHBondContact O-CA 3.31Å; G80-S296 WeakPolarHBondContact O-CB 3.39Å |
| 81 | Q | 96.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 9.7 Ų | 9.7 | 1% | 0.005 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -65.5 | -36.2 | 179.9 | -170.8 | 171.8 | -59.6 | 0 | 0 | 113 | L77 A78 R84 S295 N298 D299 K300 N302 M475 | L77-Q81 VanDerWaalsContact O-CB 3.27Å; L77-Q81 WeakPolarHBondContact O-CB 3.47Å; L77-Q81 PolarHBondContact O-N 3.49Å; A78-Q81 PolarHBondContact O-N 2.87Å; Q81-R84 WeakPolarHBondContact O-CG 3.06Å; Q81-S295 PolarHBondContact N-OG 3.04Å; Q81-N298 HydrophobicContact CG-CB 4.4Å; Q81-D299 PolarHBondContact NE2-O 2.89Å; Q81-K300 PolarHBondContact NE2-O 2.97Å; Q81-N302 PolarHBondContact NE2-O 3.34Å; Q81-N302 PolarHBondContact OE1-O 3.32Å; Q81-M475 HydrophobicContact CB-SD 4.09Å; Q81-M475 HydrophobicContact CG-SD 3.97Å |
| 82 | Y | 96.1 | Very high | 95.8 | Very high | 73 Ų | 73 | 14.1 Ų | 14.1 | 29% | 0.286 | 6% | 0.061 | S | C | . | . | H | α-helix | trans | -73.5 | -54 | -179.6 | -173.9 | -110.7 | 0 | 0 | 0 | 112.5 | A78 L79 G80 R84 D471 L474 M475 | A78-Y82 WeakPolarHBondContact O-CB 3.3Å; A78-Y82 PolarHBondContact O-N 3.19Å; L79-Y82 PolarHBondContact O-N 2.97Å; G80-Y82 PolarHBondContact O-N 3.3Å; Y82-R84 VanDerWaalsContact C-N 3.33Å; Y82-D471 HydrophobicContact CD1-CB 3.97Å; Y82-D471 HydrophobicContact CD2-CB 3.81Å; Y82-D471 HydrophobicContact CE1-CB 3.82Å; Y82-D471 WeakPolarHBondContact CE1-OD1 3.33Å; Y82-D471 HydrophobicContact CE2-CB 3.69Å; Y82-D471 HydrophobicContact CG-CB 3.95Å; Y82-D471 PolarHBondContact OH-OD1 3.46Å; Y82-L474 HydrophobicContact CE2-CD1 4.25Å; Y82-M475 VanDerWaalsContact CA-SD 3.56Å; Y82-M475 HydrophobicContact CD2-CE 4.1Å; Y82-M475 HydrophobicContact CD2-CG 4.18Å; Y82-M475 HydrophobicContact CD2-SD 4Å; Y82-M475 HydrophobicContact CG-CE 4.27Å; Y82-M475 HydrophobicContact CG-SD 4.35Å |
| 83 | H | 95.1 | Very high | 95.8 | Very high | 31 Ų | 31 | 19.2 Ų | 19.2 | 14% | 0.144 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -80 | -17.1 | -175.8 | -69 | -73.2 | 0 | 0 | 0 | 113 | L79 C85 L90 F93 | L79-H83 WeakPolarHBondContact O-CB 3.47Å; L79-H83 PolarHBondContact O-CD2 2.94Å; L79-H83 PolarHBondContact O-N 3.1Å; H83-C85 PolarHBondContact O-N 3.1Å; H83-L90 HydrophobicContact CB-CD1 3.99Å; H83-L90 WeakPolarHBondContact CD2-CD1 3.38Å; H83-F93 HydrophobicContact CB-CD2 4.4Å; H83-F93 AromaticContact ND1-CD2 3.68Å; H83-F93 AromaticContact ND1-CG 3.63Å |
| 84 | R | 94.9 | Very high | 95.6 | Very high | 59 Ų | 59 | 19.8 Ų | 19.8 | 22% | 0.223 | 9% | 0.086 | C | C | . | . | trans | 52.9 | 40.3 | 178.9 | -66.1 | -78.2 | -59.1 | 175.4 | 10.2 | 111.7 | R19 L20 G80 Q81 Y82 S296 Y297 N298 | R19-R84 VanDerWaalsContact CD-O 3.28Å; R19-R84 WeakPolarHBondContact CD-O 3.24Å; R19-R84 PolarHBondContact NE-O 3.36Å; R19-R84 VanDerWaalsContact NH1-C 3.31Å; R19-R84 PolarHBondContact NH1-O 3.3Å; L20-R84 PolarHBondContact O-NH2 3.09Å; G80-R84 VanDerWaalsContact O-CA 3.32Å; G80-R84 WeakPolarHBondContact O-CA 3.25Å; G80-R84 PolarHBondContact O-N 3.45Å; Q81-R84 WeakPolarHBondContact O-CG 3.06Å; Y82-R84 VanDerWaalsContact C-N 3.33Å; R84-S296 WeakPolarHBondContact CD-O 3.25Å; R84-S296 PolarHBondContact NE-O 2.97Å; R84-S296 VanDerWaalsContact NE-O 3.09Å; R84-S296 PolarHBondContact NH1-O 3.02Å; R84-Y297 PolarHBondContact NH1-O 3.09Å; R84-N298 PolarHBondContact NH1-O 2.85Å | ||
| 85 | C | 94.3 | Very high | 95.4 | Very high | 8 Ų | 8 | 21.5 Ų | 21.5 | 5% | 0.054 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -141.7 | 165.2 | 178.6 | 69.4 | 0 | 0 | 0 | 0 | 112.1 | H83 T89 I292 D399 | H83-C85 PolarHBondContact O-N 3.1Å; C85-T89 HydrophobicContact CB-CG2 4.21Å; C85-I292 WeakPolarHBondContact O-CG2 3.44Å; C85-D399 WeakPolarHBondContact CA-OD2 3.44Å |
| 86 | G | 94.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | -76.8 | 174.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L88 T89 L90 D399 | G86-L88 VanDerWaalsContact C-N 3.27Å; G86-L88 PolarHBondContact O-N 2.95Å; G86-T89 PolarHBondContact O-N 2.95Å; G86-L90 WeakPolarHBondContact O-CB 3.47Å; G86-L90 PolarHBondContact O-N 3.27Å; G86-L90 VanDerWaalsContact O-N 3.11Å; G86-D399 PolarHBondContact N-OD2 2.85Å | ||
| 87 | C | 95.6 | Very high | 95 | Very high | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.014 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.1 | -28.6 | -173.1 | 62.6 | 0 | 0 | 0 | 0 | 114.1 | W91 T105 I292 | C87-W91 PolarHBondContact O-NE1 3.41Å; C87-T105 HydrophobicContact CB-CG2 4.28Å; C87-I292 HydrophobicContact CB-CD1 4.41Å |
| 88 | L | 95.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -73.7 | -51.4 | 178 | -178.9 | 59.8 | 0 | 0 | 0 | 112.8 | G86 L90 K99 Y103 A396 E400 | G86-L88 VanDerWaalsContact C-N 3.27Å; G86-L88 PolarHBondContact O-N 2.95Å; L88-L90 VanDerWaalsContact C-N 3.29Å; L88-L90 PolarHBondContact O-N 3.4Å; L88-K99 HydrophobicContact CD1-CG 4.13Å; L88-Y103 HydrophobicContact CD1-CD1 3.89Å; L88-Y103 HydrophobicContact CD1-CD2 3.6Å; L88-Y103 HydrophobicContact CD1-CE1 3.89Å; L88-Y103 HydrophobicContact CD1-CE2 3.63Å; L88-Y103 HydrophobicContact CD1-CG 3.75Å; L88-Y103 HydrophobicContact CD2-CD1 4.14Å; L88-Y103 HydrophobicContact CD2-CE1 3.6Å; L88-Y103 HydrophobicContact CG-CE1 4.42Å; L88-A396 HydrophobicContact CB-CB 3.78Å; L88-E400 HydrophobicContact CD2-CB 3.83Å; L88-E400 HydrophobicContact CD2-CG 3.81Å; L88-E400 HydrophobicContact CG-CB 4.45Å; L88-E400 HydrophobicContact CG-CG 4.38Å |
| 89 | T | 95.2 | Very high | 94.7 | Very high | 13 Ų | 13 | 37.4 Ų | 37.4 | 8% | 0.08 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -70.4 | -26.6 | -177.7 | -54.6 | 0 | 0 | 0 | 0 | 112.1 | C85 G86 W91 K92 F93 E400 | C85-T89 HydrophobicContact CB-CG2 4.21Å; G86-T89 PolarHBondContact O-N 2.95Å; T89-W91 PolarHBondContact O-N 2.97Å; T89-K92 HydrophobicContact CG2-CD 4.17Å; T89-K92 WeakPolarHBondContact O-CB 3.3Å; T89-K92 PolarHBondContact O-N 3.44Å; T89-F93 HydrophobicContact CG2-CE2 4.34Å; T89-E400 PolarHBondContact OG1-N 3.03Å; T89-E400 PolarHBondContact OG1-OE2 3.15Å; T89-E400 VanDerWaalsContact OG1-OE2 3.14Å |
| 90 | L | 96.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -51.7 | -40.5 | 177.6 | 179.3 | 63 | 0 | 0 | 0 | 113 | L79 H83 G86 L88 K92 F93 L94 I292 | L79-L90 HydrophobicContact CB-CD1 4.37Å; L79-L90 HydrophobicContact CB-CD2 4.2Å; L79-L90 HydrophobicContact CD1-CD2 4.36Å; L79-L90 HydrophobicContact CD2-CD1 4.49Å; H83-L90 HydrophobicContact CB-CD1 3.99Å; H83-L90 WeakPolarHBondContact CD2-CD1 3.38Å; G86-L90 WeakPolarHBondContact O-CB 3.47Å; G86-L90 PolarHBondContact O-N 3.27Å; G86-L90 VanDerWaalsContact O-N 3.11Å; L88-L90 VanDerWaalsContact C-N 3.29Å; L88-L90 PolarHBondContact O-N 3.4Å; L90-K92 PolarHBondContact O-N 3.5Å; L90-K92 VanDerWaalsContact O-N 3.13Å; L90-F93 PolarHBondContact O-N 3.01Å; L90-L94 HydrophobicContact CD1-CD1 4.18Å; L90-L94 HydrophobicContact CD1-CG 4.18Å; L90-L94 HydrophobicContact CD2-CD1 3.99Å; L90-L94 HydrophobicContact CG-CD1 3.77Å; L90-L94 HydrophobicContact CG-CG 4.13Å; L90-L94 PolarHBondContact O-N 3.31Å; L90-I292 HydrophobicContact CD2-CD1 3.62Å; L90-I292 HydrophobicContact CD2-CG1 4.36Å; L90-I292 HydrophobicContact CD2-CG2 4.23Å |
| 91 | W | 95.2 | Very high | 94.5 | Very high | 3 Ų | 3 | 40.1 Ų | 40.1 | 1% | 0.011 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.2 | -19.3 | -177.7 | -70.1 | 97.8 | 0 | 0 | 0 | 114.1 | C87 T89 F93 L95 P96 L98 K99 V101 E455 V458 | C87-W91 PolarHBondContact O-NE1 3.41Å; T89-W91 PolarHBondContact O-N 2.97Å; W91-F93 PolarHBondContact O-N 3.5Å; W91-L95 CarbonylContact O-C 3.24Å; W91-L95 PolarHBondContact O-N 3Å; W91-P96 WeakPolarHBondContact O-CA 3.42Å; W91-P96 VanDerWaalsContact O-N 3.14Å; W91-L98 HydrophobicContact CE3-CB 3.66Å; W91-L98 HydrophobicContact CZ3-CB 3.71Å; W91-L98 HydrophobicContact CZ3-CD1 4.05Å; W91-K99 HydrophobicContact CB-CB 4.44Å; W91-V101 HydrophobicContact CD2-CB 4.25Å; W91-V101 HydrophobicContact CH2-CB 4.06Å; W91-V101 HydrophobicContact CH2-CG1 3.94Å; W91-V101 HydrophobicContact CH2-CG2 4.21Å; W91-V101 HydrophobicContact CZ2-CB 3.54Å; W91-V101 HydrophobicContact CZ2-CG1 3.26Å; W91-V101 HydrophobicContact CZ2-CG2 4.2Å; W91-E455 HydrophobicContact CH2-CB 4.5Å; W91-E455 HydrophobicContact CZ2-CB 4.39Å; W91-V458 HydrophobicContact CH2-CB 4.28Å; W91-V458 HydrophobicContact CH2-CG2 4.22Å; W91-V458 HydrophobicContact CZ3-CB 3.98Å; W91-V458 HydrophobicContact CZ3-CG1 3.81Å; W91-V458 HydrophobicContact CZ3-CG2 3.84Å |
| 92 | K | 94.6 | Very high | 94.5 | Very high | 92 Ų | 92 | 40 Ų | 40 | 40% | 0.4 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -65 | -28.8 | 171.8 | -66.9 | 174.8 | 177.9 | 162.5 | 0 | 112.4 | T89 L90 E400 | T89-K92 HydrophobicContact CG2-CD 4.17Å; T89-K92 WeakPolarHBondContact O-CB 3.3Å; T89-K92 PolarHBondContact O-N 3.44Å; L90-K92 PolarHBondContact O-N 3.5Å; L90-K92 VanDerWaalsContact O-N 3.13Å; K92-E400 VanDerWaalsContact CE-OE1 3.24Å; K92-E400 WeakPolarHBondContact CE-OE1 3.3Å; K92-E400 VanDerWaalsContact CE-OE2 3.28Å; K92-E400 WeakPolarHBondContact CE-OE2 3.39Å; K92-E400 IonicContact NZ-OE1 3.64Å; K92-E400 PolarHBondContact NZ-OE1 2.9Å; K92-E400 IonicContact NZ-OE2 3.85Å; K92-E400 PolarHBondContact NZ-OE2 3.44Å |
| 93 | F | 93.5 | Very high | 94.5 | Very high | 110 Ų | 110 | 40.7 Ų | 40.7 | 48% | 0.482 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -93.4 | -34.3 | -179.4 | -55.5 | -69.9 | 0 | 0 | 0 | 112.5 | H83 T89 L90 W91 | H83-F93 HydrophobicContact CB-CD2 4.4Å; H83-F93 AromaticContact ND1-CD2 3.68Å; H83-F93 AromaticContact ND1-CG 3.63Å; T89-F93 HydrophobicContact CG2-CE2 4.34Å; L90-F93 PolarHBondContact O-N 3.01Å; W91-F93 PolarHBondContact O-N 3.5Å |
| 94 | L | 91.8 | Very high | 94.6 | Very high | 11 Ų | 11 | 41 Ų | 41 | 6% | 0.058 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -80.5 | -61.7 | -180 | -61.5 | -176.3 | 0 | 0 | 0 | 111.9 | L79 L90 V458 V459 Y463 | L79-L94 HydrophobicContact CD2-CD1 4.38Å; L79-L94 HydrophobicContact CD2-CD2 4.04Å; L90-L94 HydrophobicContact CD1-CD1 4.18Å; L90-L94 HydrophobicContact CD1-CG 4.18Å; L90-L94 HydrophobicContact CD2-CD1 3.99Å; L90-L94 HydrophobicContact CG-CD1 3.77Å; L90-L94 HydrophobicContact CG-CG 4.13Å; L90-L94 PolarHBondContact O-N 3.31Å; L94-V458 HydrophobicContact CB-CG1 4.05Å; L94-V459 HydrophobicContact CD1-CG2 3.92Å; L94-Y463 HydrophobicContact CD2-CD1 4.04Å; L94-Y463 HydrophobicContact CD2-CD2 3.64Å; L94-Y463 HydrophobicContact CD2-CE1 4.39Å; L94-Y463 HydrophobicContact CD2-CE2 4.03Å; L94-Y463 HydrophobicContact CD2-CG 3.64Å |
| 95 | L | 92.1 | Very high | 94.7 | Very high | 43 Ų | 43 | 38.4 Ų | 38.4 | 23% | 0.225 | 21% | 0.208 | C | C | . | . | trans | -162 | 96.5 | -177 | -174.4 | 59.7 | 0 | 0 | 0 | 110.8 | W91 I97 L98 V458 V462 | W91-L95 CarbonylContact O-C 3.24Å; W91-L95 PolarHBondContact O-N 3Å; L95-I97 VanDerWaalsContact C-N 3.27Å; L95-I97 HydrophobicContact CD1-CG2 4.21Å; L95-I97 HydrophobicContact CD2-CG2 4.16Å; L95-I97 HydrophobicContact CG-CG2 3.91Å; L95-I97 PolarHBondContact O-N 2.6Å; L95-I97 VanDerWaalsContact O-N 3.1Å; L95-L98 HydrophobicContact CD2-CD1 3.71Å; L95-L98 HydrophobicContact CD2-CG 3.82Å; L95-L98 HydrophobicContact CG-CG 4.35Å; L95-L98 PolarHBondContact O-N 3.22Å; L95-V458 HydrophobicContact CB-CG1 3.82Å; L95-V458 HydrophobicContact CD2-CG1 4.4Å; L95-V458 HydrophobicContact CD2-CG2 4.25Å; L95-V462 HydrophobicContact CD1-CG1 3.97Å; L95-V462 HydrophobicContact CD2-CG1 3.99Å; L95-V462 HydrophobicContact CG-CG1 4.41Å | ||
| 96 | P | 92 | Very high | 94.9 | Very high | 86 Ų | 86 | 38.2 Ų | 38.2 | 56% | 0.558 | 21% | 0.207 | S | C | * | . | G | 310 helix | trans | -57.4 | -30.8 | -170.9 | -29.5 | 34.8 | 0 | 0 | 0 | 115.8 | W91 L98 K99 | W91-P96 WeakPolarHBondContact O-CA 3.42Å; W91-P96 VanDerWaalsContact O-N 3.14Å; P96-L98 PolarHBondContact O-N 2.91Å; P96-K99 WeakPolarHBondContact O-CB 3.4Å; P96-K99 PolarHBondContact O-N 2.91Å |
| 97 | I | 93.7 | Very high | 94.9 | Very high | 146 Ų | 146 | 42.3 Ų | 42.3 | 75% | 0.749 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -65.4 | -23.7 | 179.2 | -159.6 | 171.5 | 0 | 0 | 0 | 112.3 | L95 | L95-I97 VanDerWaalsContact C-N 3.27Å; L95-I97 HydrophobicContact CD1-CG2 4.21Å; L95-I97 HydrophobicContact CD2-CG2 4.16Å; L95-I97 HydrophobicContact CG-CG2 3.91Å; L95-I97 PolarHBondContact O-N 2.6Å; L95-I97 VanDerWaalsContact O-N 3.1Å |
| 98 | L | 93.2 | Very high | 95 | Very high | 51 Ų | 51 | 42.4 Ų | 42.4 | 27% | 0.267 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -96.2 | 20.1 | 178.3 | -66.3 | -170.3 | 0 | 0 | 0 | 113.5 | W91 L95 P96 G100 V101 V458 | W91-L98 HydrophobicContact CE3-CB 3.66Å; W91-L98 HydrophobicContact CZ3-CB 3.71Å; W91-L98 HydrophobicContact CZ3-CD1 4.05Å; L95-L98 HydrophobicContact CD2-CD1 3.71Å; L95-L98 HydrophobicContact CD2-CG 3.82Å; L95-L98 HydrophobicContact CG-CG 4.35Å; L95-L98 PolarHBondContact O-N 3.22Å; P96-L98 PolarHBondContact O-N 2.91Å; L98-G100 PolarHBondContact O-N 3.32Å; L98-V101 HydrophobicContact CB-CG2 4.12Å; L98-V101 WeakPolarHBondContact O-CB 3.43Å; L98-V101 WeakPolarHBondContact O-CG2 3.34Å; L98-V101 PolarHBondContact O-N 3.18Å; L98-V458 HydrophobicContact CD1-CG2 3.5Å |
| 99 | K | 93.7 | Very high | 95 | Very high | 53 Ų | 53 | 42.8 Ų | 42.8 | 23% | 0.23 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -53.2 | -27.6 | 174.9 | -170.6 | 179.1 | -176.9 | -173 | 0 | 113.6 | L88 W91 P96 V101 G102 Y103 E400 | L88-K99 HydrophobicContact CD1-CG 4.13Å; W91-K99 HydrophobicContact CB-CB 4.44Å; P96-K99 WeakPolarHBondContact O-CB 3.4Å; P96-K99 PolarHBondContact O-N 2.91Å; K99-V101 PolarHBondContact O-N 3.3Å; K99-G102 PolarHBondContact O-N 3.2Å; K99-Y103 HydrophobicContact CG-CE2 4.37Å; K99-E400 WeakPolarHBondContact CE-OE1 3.5Å; K99-E400 IonicContact NZ-OE1 2.82Å; K99-E400 PolarHBondContact NZ-OE1 3.28Å |
| 100 | G | 95.2 | Very high | 95 | Very high | 48 Ų | 48 | 43.2 Ų | 43.2 | 50% | 0.495 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -57 | -27.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L98 Y103 A104 | L98-G100 PolarHBondContact O-N 3.32Å; G100-Y103 PolarHBondContact O-N 2.6Å; G100-A104 PolarHBondContact O-N 3.25Å |
| 101 | V | 95.2 | Very high | 95 | Very high | 11 Ų | 11 | 47.5 Ų | 47.5 | 7% | 0.067 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64 | -41.8 | 177.1 | -179 | 0 | 0 | 0 | 0 | 110.9 | W91 L98 K99 Y103 A104 T105 V451 L454 | W91-V101 HydrophobicContact CD2-CB 4.25Å; W91-V101 HydrophobicContact CH2-CB 4.06Å; W91-V101 HydrophobicContact CH2-CG1 3.94Å; W91-V101 HydrophobicContact CH2-CG2 4.21Å; W91-V101 HydrophobicContact CZ2-CB 3.54Å; W91-V101 HydrophobicContact CZ2-CG1 3.26Å; W91-V101 HydrophobicContact CZ2-CG2 4.2Å; L98-V101 HydrophobicContact CB-CG2 4.12Å; L98-V101 WeakPolarHBondContact O-CB 3.43Å; L98-V101 WeakPolarHBondContact O-CG2 3.34Å; L98-V101 PolarHBondContact O-N 3.18Å; K99-V101 PolarHBondContact O-N 3.3Å; V101-Y103 VanDerWaalsContact C-N 3.35Å; V101-Y103 PolarHBondContact O-N 3.45Å; V101-A104 WeakPolarHBondContact O-CB 3.46Å; V101-A104 PolarHBondContact O-N 3.45Å; V101-A104 VanDerWaalsContact O-N 3.16Å; V101-T105 PolarHBondContact O-N 2.99Å; V101-T105 PolarHBondContact O-OG1 3.1Å; V101-T105 VanDerWaalsContact O-OG1 3.12Å; V101-V451 HydrophobicContact CG1-CB 4.44Å; V101-V451 HydrophobicContact CG1-CG1 3.92Å; V101-V451 HydrophobicContact CG1-CG2 4.33Å; V101-L454 HydrophobicContact CG2-CB 4.37Å; V101-L454 HydrophobicContact CG2-CD1 3.77Å |
| 102 | G | 96.7 | Very high | 95 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.4 | -35.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | K99 C106 | K99-G102 PolarHBondContact O-N 3.2Å; G102-C106 PolarHBondContact O-N 2.94Å; G102-C106 PolarHBondContact O-SG 3.21Å |
| 103 | Y | 96.6 | Very high | 95 | Very high | 86 Ų | 86 | 45 Ų | 45 | 34% | 0.337 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67.6 | -38.6 | 171.3 | -75.6 | -66.4 | 0 | 0 | 0 | 111.8 | L88 K99 G100 V101 C106 L107 F397 Y401 | L88-Y103 HydrophobicContact CD1-CD1 3.89Å; L88-Y103 HydrophobicContact CD1-CD2 3.6Å; L88-Y103 HydrophobicContact CD1-CE1 3.89Å; L88-Y103 HydrophobicContact CD1-CE2 3.63Å; L88-Y103 HydrophobicContact CD1-CG 3.75Å; L88-Y103 HydrophobicContact CD2-CD1 4.14Å; L88-Y103 HydrophobicContact CD2-CE1 3.6Å; L88-Y103 HydrophobicContact CG-CE1 4.42Å; K99-Y103 HydrophobicContact CG-CE2 4.37Å; G100-Y103 PolarHBondContact O-N 2.6Å; V101-Y103 VanDerWaalsContact C-N 3.35Å; V101-Y103 PolarHBondContact O-N 3.45Å; Y103-C106 PolarHBondContact O-N 2.94Å; Y103-L107 PolarHBondContact O-N 2.96Å; Y103-F397 HydrophobicContact CE1-CE1 4.33Å; Y103-Y401 PolarHBondContact OH-OH 3.47Å |
| 104 | A | 96.9 | Very high | 94.9 | Very high | 38 Ų | 38 | 40 Ų | 40 | 31% | 0.314 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.2 | -42.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | G100 V101 C106 L107 I108 V451 | G100-A104 PolarHBondContact O-N 3.25Å; V101-A104 WeakPolarHBondContact O-CB 3.46Å; V101-A104 PolarHBondContact O-N 3.45Å; V101-A104 VanDerWaalsContact O-N 3.16Å; A104-C106 PolarHBondContact O-N 3.42Å; A104-L107 PolarHBondContact O-N 3.41Å; A104-I108 VanDerWaalsContact O-CG1 3.26Å; A104-I108 WeakPolarHBondContact O-CG1 3.29Å; A104-I108 PolarHBondContact O-N 3.29Å; A104-V451 HydrophobicContact CB-CG2 4.2Å |
| 105 | T | 96.9 | Very high | 95 | Very high | 4 Ų | 4 | 39.8 Ų | 39.8 | 3% | 0.025 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -54.4 | -51.4 | 172.7 | -55.4 | 0 | 0 | 0 | 0 | 111.6 | C87 V101 L107 I108 D109 G287 F288 V451 | C87-T105 HydrophobicContact CB-CG2 4.28Å; V101-T105 PolarHBondContact O-N 2.99Å; V101-T105 PolarHBondContact O-OG1 3.1Å; V101-T105 VanDerWaalsContact O-OG1 3.12Å; T105-L107 VanDerWaalsContact C-N 3.27Å; T105-L107 PolarHBondContact O-N 2.81Å; T105-I108 WeakPolarHBondContact O-CB 3.43Å; T105-I108 PolarHBondContact O-N 3.11Å; T105-I108 VanDerWaalsContact O-N 3.17Å; T105-D109 PolarHBondContact O-N 3.25Å; T105-G287 WeakPolarHBondContact CG2-O 3.23Å; T105-F288 VanDerWaalsContact CG2-O 3.24Å; T105-F288 WeakPolarHBondContact CG2-O 3.23Å; T105-V451 WeakPolarHBondContact OG1-CG1 3.28Å |
| 106 | C | 97.4 | Very high | 95.2 | Very high | 4 Ų | 4 | 38.6 Ų | 38.6 | 3% | 0.027 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.9 | -36.9 | 179 | -62.8 | 0 | 0 | 0 | 0 | 112.4 | G102 Y103 A104 D109 V110 I393 F397 | G102-C106 PolarHBondContact O-N 2.94Å; G102-C106 PolarHBondContact O-SG 3.21Å; Y103-C106 PolarHBondContact O-N 2.94Å; A104-C106 PolarHBondContact O-N 3.42Å; C106-D109 PolarHBondContact O-N 2.97Å; C106-V110 WeakPolarHBondContact O-CG2 3.44Å; C106-V110 PolarHBondContact O-N 2.91Å; C106-I393 HydrophobicContact CB-CG1 4.46Å; C106-F397 HydrophobicContact CB-CE2 4.16Å |
| 107 | L | 96.5 | Very high | 95.4 | Very high | 86 Ų | 86 | 34.5 Ų | 34.5 | 45% | 0.45 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -70.8 | -36.2 | 178.5 | -174.1 | 63.5 | 0 | 0 | 0 | 112.1 | Y103 A104 T105 V110 Y111 | Y103-L107 PolarHBondContact O-N 2.96Å; A104-L107 PolarHBondContact O-N 3.41Å; T105-L107 VanDerWaalsContact C-N 3.27Å; T105-L107 PolarHBondContact O-N 2.81Å; L107-V110 WeakPolarHBondContact O-CB 3.31Å; L107-V110 PolarHBondContact O-N 2.85Å; L107-Y111 HydrophobicContact CD1-CE2 4.06Å; L107-Y111 HydrophobicContact CD2-CE2 4.02Å; L107-Y111 HydrophobicContact CG-CD2 4.17Å; L107-Y111 HydrophobicContact CG-CE2 3.64Å; L107-Y111 VanDerWaalsContact O-CD2 3.29Å; L107-Y111 WeakPolarHBondContact O-CD2 3.4Å; L107-Y111 PolarHBondContact O-N 3.49Å |
| 108 | I | 96 | Very high | 95.5 | Very high | 5 Ų | 5 | 27.6 Ų | 27.6 | 3% | 0.026 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.8 | -46.9 | 172.5 | -68.6 | 161.7 | 0 | 0 | 0 | 109.9 | A104 T105 V110 Y111 M112 F288 V444 V448 V451 | A104-I108 VanDerWaalsContact O-CG1 3.26Å; A104-I108 WeakPolarHBondContact O-CG1 3.29Å; A104-I108 PolarHBondContact O-N 3.29Å; T105-I108 WeakPolarHBondContact O-CB 3.43Å; T105-I108 PolarHBondContact O-N 3.11Å; T105-I108 VanDerWaalsContact O-N 3.17Å; I108-V110 VanDerWaalsContact C-N 3.27Å; I108-V110 PolarHBondContact O-N 2.93Å; I108-Y111 PolarHBondContact O-N 3Å; I108-M112 WeakPolarHBondContact O-CB 3.36Å; I108-M112 PolarHBondContact O-N 3.27Å; I108-F288 HydrophobicContact CG2-CD1 4.01Å; I108-F288 HydrophobicContact CG2-CE1 3.8Å; I108-V444 HydrophobicContact CG2-CB 4.46Å; I108-V444 HydrophobicContact CG2-CG1 4.04Å; I108-V444 HydrophobicContact CG2-CG2 4.3Å; I108-V448 HydrophobicContact CD1-CB 4.49Å; I108-V448 HydrophobicContact CG2-CB 4.44Å; I108-V451 HydrophobicContact CD1-CB 4.49Å; I108-V451 HydrophobicContact CD1-CG2 3.72Å |
| 109 | D | 96.4 | Very high | 95.6 | Very high | 7 Ų | 7 | 25.4 Ų | 25.4 | 4% | 0.037 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63 | -33.5 | 176.9 | -69.5 | -34.1 | 0 | 0 | 0 | 112.3 | T105 C106 G113 F288 I393 | T105-D109 PolarHBondContact O-N 3.25Å; C106-D109 PolarHBondContact O-N 2.97Å; D109-G113 PolarHBondContact O-N 3.38Å; D109-F288 WeakPolarHBondContact OD1-CD1 3.48Å; D109-I393 HydrophobicContact CB-CD1 3.53Å; D109-I393 HydrophobicContact CB-CG1 3.62Å |
| 110 | V | 96.3 | Very high | 95.7 | Very high | 23 Ų | 23 | 22.9 Ų | 22.9 | 14% | 0.139 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.4 | -50.6 | 172 | 165.5 | 0 | 0 | 0 | 0 | 110.6 | C106 L107 I108 M112 G113 C114 I393 F416 M420 | C106-V110 WeakPolarHBondContact O-CG2 3.44Å; C106-V110 PolarHBondContact O-N 2.91Å; L107-V110 WeakPolarHBondContact O-CB 3.31Å; L107-V110 PolarHBondContact O-N 2.85Å; I108-V110 VanDerWaalsContact C-N 3.27Å; I108-V110 PolarHBondContact O-N 2.93Å; V110-M112 PolarHBondContact O-N 3.39Å; V110-G113 PolarHBondContact O-N 3.16Å; V110-C114 PolarHBondContact O-N 3.05Å; V110-C114 PolarHBondContact O-SG 2.77Å; V110-I393 HydrophobicContact CG2-CD1 3.91Å; V110-F416 HydrophobicContact CG2-CZ 3.85Å; V110-M420 HydrophobicContact CB-SD 4.21Å; V110-M420 HydrophobicContact CG1-SD 3.83Å; V110-M420 HydrophobicContact CG2-SD 4.02Å; V110-M420 WeakPolarHBondContact O-CE 3.27Å |
| 111 | Y | 95.1 | Very high | 95.8 | Very high | 90 Ų | 90 | 20.6 Ų | 20.6 | 35% | 0.353 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -61.4 | -46.9 | 178.6 | -69.6 | -48 | 0 | 0 | 0 | 112 | L107 I108 C114 F115 L439 A443 | L107-Y111 HydrophobicContact CD1-CE2 4.06Å; L107-Y111 HydrophobicContact CD2-CE2 4.02Å; L107-Y111 HydrophobicContact CG-CD2 4.17Å; L107-Y111 HydrophobicContact CG-CE2 3.64Å; L107-Y111 VanDerWaalsContact O-CD2 3.29Å; L107-Y111 WeakPolarHBondContact O-CD2 3.4Å; L107-Y111 PolarHBondContact O-N 3.49Å; I108-Y111 PolarHBondContact O-N 3Å; Y111-C114 WeakPolarHBondContact O-CB 3.47Å; Y111-C114 PolarHBondContact O-N 3.4Å; Y111-C114 VanDerWaalsContact O-N 3.14Å; Y111-F115 WeakPolarHBondContact O-CD1 3.4Å; Y111-F115 PolarHBondContact O-N 3.29Å; Y111-L439 HydrophobicContact CD1-CD2 4.34Å; Y111-A443 HydrophobicContact CD2-CB 3.78Å; Y111-A443 HydrophobicContact CE2-CB 4.24Å; Y111-A443 HydrophobicContact CG-CB 4.05Å |
| 112 | M | 94.7 | Very high | 95.9 | Very high | 38 Ų | 38 | 20.2 Ų | 20.2 | 19% | 0.187 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -56.9 | -53.2 | 176 | -174.9 | 64.3 | 123.7 | 0 | 0 | 110.5 | I108 V110 C114 F115 Y116 F288 V444 | I108-M112 WeakPolarHBondContact O-CB 3.36Å; I108-M112 PolarHBondContact O-N 3.27Å; V110-M112 PolarHBondContact O-N 3.39Å; M112-C114 PolarHBondContact O-N 3Å; M112-C114 VanDerWaalsContact O-N 3.07Å; M112-F115 PolarHBondContact O-N 3.44Å; M112-F115 HydrophobicContact SD-CE1 4.11Å; M112-F115 HydrophobicContact SD-CE2 3.72Å; M112-F115 HydrophobicContact SD-CZ 3.31Å; M112-F115 WeakPolarHBondContact SD-CZ 3.37Å; M112-Y116 WeakPolarHBondContact O-CA 3.4Å; M112-Y116 WeakPolarHBondContact O-CB 3.44Å; M112-Y116 PolarHBondContact O-N 3.38Å; M112-Y116 HydrophobicContact SD-CD2 4.11Å; M112-Y116 HydrophobicContact SD-CG 4.41Å; M112-F288 HydrophobicContact CE-CE1 4.11Å; M112-F288 HydrophobicContact CE-CZ 3.94Å; M112-V444 HydrophobicContact CB-CG2 4.04Å; M112-V444 HydrophobicContact CE-CG1 4.14Å; M112-V444 HydrophobicContact SD-CG1 4.27Å |
| 113 | G | 94.7 | Very high | 95.9 | Very high | 6 Ų | 6 | 20.3 Ų | 20.3 | 6% | 0.062 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.1 | -22 | 179 | 0 | 0 | 0 | 0 | 0 | 113.9 | D109 V110 N117 Y210 | D109-G113 PolarHBondContact O-N 3.38Å; V110-G113 PolarHBondContact O-N 3.16Å; G113-N117 WeakPolarHBondContact O-CB 3.39Å; G113-N117 VanDerWaalsContact O-CG 3.26Å; G113-N117 PolarHBondContact O-ND2 3.18Å; G113-Y210 PolarHBondContact O-OH 3.39Å |
| 114 | C | 92.7 | Very high | 96 | Very high | 4 Ų | 4 | 17.5 Ų | 17.5 | 3% | 0.027 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -75.3 | -59.3 | 175.8 | -67.2 | 0 | 0 | 0 | 0 | 112.3 | V110 Y111 M112 I423 S424 | V110-C114 PolarHBondContact O-N 3.05Å; V110-C114 PolarHBondContact O-SG 2.77Å; Y111-C114 WeakPolarHBondContact O-CB 3.47Å; Y111-C114 PolarHBondContact O-N 3.4Å; Y111-C114 VanDerWaalsContact O-N 3.14Å; M112-C114 PolarHBondContact O-N 3Å; M112-C114 VanDerWaalsContact O-N 3.07Å; C114-I423 VanDerWaalsContact SG-CG2 3.51Å; C114-S424 WeakPolarHBondContact CA-OG 3.09Å; C114-S424 WeakPolarHBondContact CB-OG 3.2Å; C114-S424 PolarHBondContact O-OG 2.92Å |
| 115 | F | 94 | Very high | 96.1 | Very high | 7 Ų | 7 | 16.8 Ų | 16.8 | 3% | 0.031 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -78.6 | -32.1 | -175.8 | 71 | -104.9 | 0 | 0 | 0 | 112.9 | Y111 M112 N117 T118 V119 T427 I436 L439 D440 V444 | Y111-F115 WeakPolarHBondContact O-CD1 3.4Å; Y111-F115 PolarHBondContact O-N 3.29Å; M112-F115 PolarHBondContact O-N 3.44Å; M112-F115 HydrophobicContact SD-CE1 4.11Å; M112-F115 HydrophobicContact SD-CE2 3.72Å; M112-F115 HydrophobicContact SD-CZ 3.31Å; M112-F115 WeakPolarHBondContact SD-CZ 3.37Å; F115-N117 VanDerWaalsContact C-N 3.34Å; F115-N117 PolarHBondContact O-N 3.33Å; F115-T118 VanDerWaalsContact O-CB 3.31Å; F115-T118 WeakPolarHBondContact O-CB 3.46Å; F115-T118 PolarHBondContact O-N 3.16Å; F115-T118 VanDerWaalsContact O-N 3.09Å; F115-V119 PolarHBondContact O-N 2.92Å; F115-T427 HydrophobicContact CB-CG2 4.29Å; F115-I436 HydrophobicContact CB-CB 4.28Å; F115-I436 HydrophobicContact CB-CG1 3.95Å; F115-I436 HydrophobicContact CB-CG2 4.07Å; F115-I436 HydrophobicContact CD2-CG2 3.97Å; F115-I436 HydrophobicContact CG-CG2 4.31Å; F115-L439 HydrophobicContact CD1-CB 3.8Å; F115-L439 HydrophobicContact CD1-CD1 4.46Å; F115-L439 HydrophobicContact CE1-CB 4.2Å; F115-D440 HydrophobicContact CE1-CB 4.42Å; F115-D440 HydrophobicContact CE2-CB 3.99Å; F115-D440 HydrophobicContact CZ-CB 3.83Å; F115-V444 HydrophobicContact CE1-CB 4.39Å; F115-V444 HydrophobicContact CE1-CG2 3.61Å; F115-V444 HydrophobicContact CZ-CB 4.45Å; F115-V444 HydrophobicContact CZ-CG2 4.05Å |
| 116 | Y | 94.8 | Very high | 96.1 | Very high | 18 Ų | 18 | 16.6 Ų | 16.6 | 7% | 0.071 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -66.9 | -38.8 | -177.8 | -164.8 | -100.2 | 0 | 0 | 0 | 110.9 | L39 M112 T118 V119 I120 G382 | L39-Y116 HydrophobicContact CB-CE2 4.45Å; L39-Y116 HydrophobicContact CD1-CE1 4.27Å; L39-Y116 HydrophobicContact CD1-CE2 3.96Å; L39-Y116 WeakPolarHBondContact CG-OH 3.48Å; L39-Y116 PolarHBondContact N-OH 3.46Å; M112-Y116 WeakPolarHBondContact O-CA 3.4Å; M112-Y116 WeakPolarHBondContact O-CB 3.44Å; M112-Y116 PolarHBondContact O-N 3.38Å; M112-Y116 HydrophobicContact SD-CD2 4.11Å; M112-Y116 HydrophobicContact SD-CG 4.41Å; Y116-T118 PolarHBondContact O-N 3.29Å; Y116-V119 WeakPolarHBondContact O-CB 3.3Å; Y116-V119 PolarHBondContact O-N 3.21Å; Y116-V119 VanDerWaalsContact O-N 3.09Å; Y116-I120 HydrophobicContact CD1-CD1 3.83Å; Y116-I120 HydrophobicContact CD1-CG1 4.32Å; Y116-I120 HydrophobicContact CE1-CD1 4.01Å; Y116-I120 HydrophobicContact CE1-CG1 4.4Å; Y116-I120 WeakPolarHBondContact O-CG1 3.43Å; Y116-I120 PolarHBondContact O-N 3.43Å; Y116-G382 WeakPolarHBondContact CE1-O 3.45Å |
| 117 | N | 96.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -64.3 | -25.2 | 173.3 | -76.6 | -20.9 | 0 | 0 | 0 | 113.4 | G113 F115 S121 L206 I209 Y210 T386 | G113-N117 WeakPolarHBondContact O-CB 3.39Å; G113-N117 VanDerWaalsContact O-CG 3.26Å; G113-N117 PolarHBondContact O-ND2 3.18Å; F115-N117 VanDerWaalsContact C-N 3.34Å; F115-N117 PolarHBondContact O-N 3.33Å; N117-S121 WeakPolarHBondContact O-CB 3.36Å; N117-S121 PolarHBondContact O-N 2.88Å; N117-S121 PolarHBondContact O-OG 3.4Å; N117-L206 HydrophobicContact CB-CD1 3.94Å; N117-I209 HydrophobicContact CB-CG2 4.37Å; N117-Y210 HydrophobicContact CB-CE2 4.29Å; N117-Y210 WeakPolarHBondContact ND2-CE1 3.22Å; N117-Y210 VanDerWaalsContact ND2-CZ 3.35Å; N117-Y210 PolarHBondContact ND2-OH 3.12Å; N117-T386 WeakPolarHBondContact OD1-CG2 3.17Å; N117-T386 PolarHBondContact OD1-OG1 3.44Å |
| 118 | T | 95.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -71.1 | -40.8 | 171.4 | -66.6 | 0 | 0 | 0 | 0 | 111.9 | F115 Y116 I120 S121 W122 T427 I428 I436 | F115-T118 VanDerWaalsContact O-CB 3.31Å; F115-T118 WeakPolarHBondContact O-CB 3.46Å; F115-T118 PolarHBondContact O-N 3.16Å; F115-T118 VanDerWaalsContact O-N 3.09Å; Y116-T118 PolarHBondContact O-N 3.29Å; T118-I120 VanDerWaalsContact C-N 3.29Å; T118-I120 PolarHBondContact O-N 3.34Å; T118-S121 WeakPolarHBondContact O-CA 3.45Å; T118-S121 VanDerWaalsContact O-CB 3.27Å; T118-S121 WeakPolarHBondContact O-CB 3.42Å; T118-S121 PolarHBondContact O-N 2.89Å; T118-W122 HydrophobicContact CG2-CZ2 4.05Å; T118-W122 PolarHBondContact O-N 3.02Å; T118-T427 PolarHBondContact OG1-OG1 3.45Å; T118-I428 HydrophobicContact CG2-CG2 3.59Å; T118-I428 WeakPolarHBondContact OG1-CG2 3.38Å; T118-I436 HydrophobicContact CG2-CD1 3.68Å |
| 119 | V | 94.9 | Very high | 96.3 | Very high | 6 Ų | 6 | 17.2 Ų | 17.2 | 4% | 0.036 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.9 | -42.3 | 172.4 | 179.8 | 0 | 0 | 0 | 0 | 110.9 | L39 W43 F115 Y116 S121 W122 A123 F354 | L39-V119 HydrophobicContact CD1-CG1 3.87Å; W43-V119 HydrophobicContact CH2-CG1 3.51Å; W43-V119 HydrophobicContact CH2-CG2 4.36Å; W43-V119 HydrophobicContact CZ2-CG1 4.45Å; W43-V119 HydrophobicContact CZ3-CG1 3.83Å; F115-V119 PolarHBondContact O-N 2.92Å; Y116-V119 WeakPolarHBondContact O-CB 3.3Å; Y116-V119 PolarHBondContact O-N 3.21Å; Y116-V119 VanDerWaalsContact O-N 3.09Å; V119-S121 VanDerWaalsContact C-N 3.27Å; V119-S121 PolarHBondContact O-N 3.42Å; V119-W122 HydrophobicContact CB-CE3 4.32Å; V119-W122 HydrophobicContact CB-CZ3 4.49Å; V119-W122 HydrophobicContact CG1-CE3 4.22Å; V119-W122 HydrophobicContact CG2-CE3 4.27Å; V119-W122 HydrophobicContact CG2-CH2 4.41Å; V119-W122 HydrophobicContact CG2-CZ3 3.95Å; V119-W122 WeakPolarHBondContact O-CB 3.36Å; V119-W122 PolarHBondContact O-N 3Å; V119-A123 PolarHBondContact O-N 3.18Å; V119-F354 HydrophobicContact CG1-CE2 3.96Å; V119-F354 HydrophobicContact CG1-CZ 4.23Å |
| 120 | I | 96.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.2 | -36.5 | 174.7 | -58.9 | 169.9 | 0 | 0 | 0 | 111 | Y116 T118 W122 A123 L124 I209 L379 G382 I383 | Y116-I120 HydrophobicContact CD1-CD1 3.83Å; Y116-I120 HydrophobicContact CD1-CG1 4.32Å; Y116-I120 HydrophobicContact CE1-CD1 4.01Å; Y116-I120 HydrophobicContact CE1-CG1 4.4Å; Y116-I120 WeakPolarHBondContact O-CG1 3.43Å; Y116-I120 PolarHBondContact O-N 3.43Å; T118-I120 VanDerWaalsContact C-N 3.29Å; T118-I120 PolarHBondContact O-N 3.34Å; I120-W122 VanDerWaalsContact C-N 3.28Å; I120-W122 PolarHBondContact O-N 3.39Å; I120-A123 WeakPolarHBondContact O-CB 3.42Å; I120-A123 PolarHBondContact O-N 3.21Å; I120-A123 VanDerWaalsContact O-N 3.1Å; I120-L124 PolarHBondContact O-N 3.45Å; I120-I209 HydrophobicContact CG2-CD1 3.56Å; I120-I209 HydrophobicContact CG2-CG1 3.94Å; I120-I209 HydrophobicContact CG2-CG2 4.17Å; I120-L379 HydrophobicContact CG2-CD1 3.51Å; I120-G382 VanDerWaalsContact CD1-O 3.27Å; I120-G382 WeakPolarHBondContact CD1-O 3.17Å; I120-I383 HydrophobicContact CG2-CG1 4.2Å |
| 121 | S | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.5 | -32.9 | 176.3 | -58.6 | 0 | 0 | 0 | 0 | 112.3 | N117 T118 V119 L124 F125 L206 | N117-S121 WeakPolarHBondContact O-CB 3.36Å; N117-S121 PolarHBondContact O-N 2.88Å; N117-S121 PolarHBondContact O-OG 3.4Å; T118-S121 WeakPolarHBondContact O-CA 3.45Å; T118-S121 VanDerWaalsContact O-CB 3.27Å; T118-S121 WeakPolarHBondContact O-CB 3.42Å; T118-S121 PolarHBondContact O-N 2.89Å; V119-S121 VanDerWaalsContact C-N 3.27Å; V119-S121 PolarHBondContact O-N 3.42Å; S121-L124 PolarHBondContact O-N 2.96Å; S121-F125 WeakPolarHBondContact O-CB 3.45Å; S121-F125 PolarHBondContact O-N 3.27Å; S121-L206 WeakPolarHBondContact OG-CA 3.48Å; S121-L206 WeakPolarHBondContact OG-CD1 3.14Å; S121-L206 PolarHBondContact OG-N 2.97Å |
| 122 | W | 97.2 | Very high | 96.3 | Very high | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.008 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.6 | -47.7 | 169.2 | -54.6 | -23.9 | 0 | 0 | 0 | 110.6 | T118 V119 I120 L124 F125 Y126 F179 V183 L184 P350 F354 I436 | T118-W122 HydrophobicContact CG2-CZ2 4.05Å; T118-W122 PolarHBondContact O-N 3.02Å; V119-W122 HydrophobicContact CB-CE3 4.32Å; V119-W122 HydrophobicContact CB-CZ3 4.49Å; V119-W122 HydrophobicContact CG1-CE3 4.22Å; V119-W122 HydrophobicContact CG2-CE3 4.27Å; V119-W122 HydrophobicContact CG2-CH2 4.41Å; V119-W122 HydrophobicContact CG2-CZ3 3.95Å; V119-W122 WeakPolarHBondContact O-CB 3.36Å; V119-W122 PolarHBondContact O-N 3Å; I120-W122 VanDerWaalsContact C-N 3.28Å; I120-W122 PolarHBondContact O-N 3.39Å; W122-L124 VanDerWaalsContact C-N 3.29Å; W122-L124 PolarHBondContact O-N 2.92Å; W122-F125 WeakPolarHBondContact O-CB 3.38Å; W122-F125 PolarHBondContact O-N 3.29Å; W122-F125 VanDerWaalsContact O-N 3.07Å; W122-Y126 WeakPolarHBondContact O-CD2 3.31Å; W122-Y126 PolarHBondContact O-N 2.9Å; W122-F179 HydrophobicContact CD2-CE2 4.19Å; W122-F179 HydrophobicContact CD2-CZ 4.39Å; W122-F179 HydrophobicContact CE3-CE2 4.05Å; W122-F179 AromaticContact CE3-CZ 3.97Å; W122-F179 HydrophobicContact CE3-CZ 3.97Å; W122-F179 HydrophobicContact CG-CE2 4.49Å; W122-F179 HydrophobicContact CH2-CZ 4.45Å; W122-F179 HydrophobicContact CZ3-CZ 4Å; W122-V183 HydrophobicContact CB-CG1 4.44Å; W122-V183 HydrophobicContact CG-CG1 4.33Å; W122-L184 HydrophobicContact CD2-CD2 4.4Å; W122-L184 HydrophobicContact CH2-CD2 4.44Å; W122-L184 HydrophobicContact CZ2-CD2 3.61Å; W122-P350 HydrophobicContact CZ3-CB 4.08Å; W122-F354 HydrophobicContact CB-CD1 4.37Å; W122-F354 HydrophobicContact CB-CE1 3.86Å; W122-F354 HydrophobicContact CB-CE2 4.46Å; W122-F354 HydrophobicContact CB-CZ 3.91Å; W122-F354 HydrophobicContact CE3-CD2 4.08Å; W122-F354 AromaticContact CE3-CE2 3.8Å; W122-F354 HydrophobicContact CE3-CE2 3.8Å; W122-F354 HydrophobicContact CE3-CZ 4.34Å; W122-I436 HydrophobicContact CH2-CD1 3.6Å; W122-I436 HydrophobicContact CZ2-CD1 3.45Å; W122-I436 VanDerWaalsContact CZ2-CD1 3.45Å |
| 123 | A | 97.2 | Very high | 96.2 | Very high | 2 Ų | 2 | 25.8 Ų | 25.8 | 2% | 0.017 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.9 | -40.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V119 I120 Y126 L127 F354 F375 L378 | V119-A123 PolarHBondContact O-N 3.18Å; I120-A123 WeakPolarHBondContact O-CB 3.42Å; I120-A123 PolarHBondContact O-N 3.21Å; I120-A123 VanDerWaalsContact O-N 3.1Å; A123-Y126 PolarHBondContact O-N 3.33Å; A123-L127 WeakPolarHBondContact O-CB 3.33Å; A123-L127 PolarHBondContact O-N 2.81Å; A123-F354 HydrophobicContact CB-CE1 4.17Å; A123-F354 HydrophobicContact CB-CZ 4.28Å; A123-F375 HydrophobicContact CB-CD1 4.42Å; A123-L378 HydrophobicContact CB-CB 4.03Å |
| 124 | L | 98.1 | Very high | 96.1 | Very high | 27 Ų | 27 | 29.1 Ų | 29.1 | 14% | 0.141 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.4 | -41.1 | 174.3 | -179.1 | 62.2 | 0 | 0 | 0 | 112.4 | I120 S121 W122 L127 G128 C205 F208 I209 L379 | I120-L124 PolarHBondContact O-N 3.45Å; S121-L124 PolarHBondContact O-N 2.96Å; W122-L124 VanDerWaalsContact C-N 3.29Å; W122-L124 PolarHBondContact O-N 2.92Å; L124-L127 PolarHBondContact O-N 3Å; L124-G128 PolarHBondContact O-N 2.88Å; L124-C205 HydrophobicContact CB-CB 4.49Å; L124-C205 HydrophobicContact CD2-CB 3.94Å; L124-C205 HydrophobicContact CG-CB 4.42Å; L124-F208 HydrophobicContact CD1-CD1 4.4Å; L124-F208 HydrophobicContact CD2-CB 4.15Å; L124-F208 HydrophobicContact CD2-CD1 3.65Å; L124-F208 HydrophobicContact CD2-CG 4.35Å; L124-I209 HydrophobicContact CB-CD1 4.27Å; L124-I209 HydrophobicContact CD2-CD1 3.82Å; L124-I209 HydrophobicContact CD2-CG1 4.12Å; L124-L379 HydrophobicContact CB-CD1 4.36Å; L124-L379 HydrophobicContact CD1-CD2 4.2Å |
| 125 | F | 98.2 | Very high | 96.2 | Very high | 23 Ų | 23 | 29 Ų | 29 | 10% | 0.101 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62 | -43 | 175.8 | -175.1 | -87.5 | 0 | 0 | 0 | 111.6 | S121 W122 N129 F178 V183 Q201 L202 | S121-F125 WeakPolarHBondContact O-CB 3.45Å; S121-F125 PolarHBondContact O-N 3.27Å; W122-F125 WeakPolarHBondContact O-CB 3.38Å; W122-F125 PolarHBondContact O-N 3.29Å; W122-F125 VanDerWaalsContact O-N 3.07Å; F125-N129 WeakPolarHBondContact CE1-ND2 3.29Å; F125-N129 PolarHBondContact O-N 3.44Å; F125-N129 PolarHBondContact O-ND2 2.94Å; F125-F178 HydrophobicContact CD1-CZ 4.33Å; F125-F178 HydrophobicContact CE1-CE1 4.42Å; F125-F178 HydrophobicContact CE1-CE2 4.45Å; F125-F178 AromaticContact CE1-CZ 3.78Å; F125-F178 HydrophobicContact CE1-CZ 3.78Å; F125-V183 HydrophobicContact CD1-CG1 4.38Å; F125-V183 HydrophobicContact CD1-CG2 3.78Å; F125-V183 HydrophobicContact CE1-CG2 3.75Å; F125-Q201 HydrophobicContact CD2-CB 4.02Å; F125-Q201 HydrophobicContact CE2-CB 3.61Å; F125-Q201 HydrophobicContact CE2-CG 4.08Å; F125-L202 HydrophobicContact CB-CD2 4.25Å; F125-L202 HydrophobicContact CD2-CD2 4.49Å; F125-L202 HydrophobicContact CG-CD2 4.48Å |
| 126 | Y | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.3 | -45.9 | 173.9 | -87.4 | -98.2 | 0 | 0 | 0 | 111.7 | W122 A123 G128 N129 S130 W137 F178 F179 V183 F354 P358 F375 | W122-Y126 WeakPolarHBondContact O-CD2 3.31Å; W122-Y126 PolarHBondContact O-N 2.9Å; A123-Y126 PolarHBondContact O-N 3.33Å; Y126-G128 VanDerWaalsContact C-N 3.3Å; Y126-G128 PolarHBondContact O-N 2.9Å; Y126-N129 CarbonylContact O-C 3.56Å; Y126-N129 WeakPolarHBondContact O-CA 3.37Å; Y126-N129 WeakPolarHBondContact O-CB 2.98Å; Y126-N129 PolarHBondContact O-N 3.09Å; Y126-S130 PolarHBondContact O-N 3.17Å; Y126-S130 PolarHBondContact O-OG 3.4Å; Y126-W137 HydrophobicContact CD1-CD2 4.39Å; Y126-W137 AromaticContact CD1-CE3 3.83Å; Y126-W137 HydrophobicContact CD1-CE3 3.83Å; Y126-W137 AromaticContact CD1-CH2 3.8Å; Y126-W137 HydrophobicContact CD1-CH2 3.8Å; Y126-W137 HydrophobicContact CD1-CZ2 4.35Å; Y126-W137 AromaticContact CD1-CZ3 3.5Å; Y126-W137 HydrophobicContact CD1-CZ3 3.5Å; Y126-W137 HydrophobicContact CE1-CD2 4.26Å; Y126-W137 AromaticContact CE1-CE3 3.9Å; Y126-W137 HydrophobicContact CE1-CE3 3.9Å; Y126-W137 HydrophobicContact CE1-CZ3 4.07Å; Y126-W137 HydrophobicContact CG-CZ3 4.38Å; Y126-F178 HydrophobicContact CD1-CD1 4.44Å; Y126-F178 AromaticContact CD1-CE1 3.84Å; Y126-F178 HydrophobicContact CD1-CE1 3.84Å; Y126-F178 HydrophobicContact CD2-CE1 4.36Å; Y126-F178 AromaticContact CE1-CD1 3.62Å; Y126-F178 HydrophobicContact CE1-CD1 3.62Å; Y126-F178 AromaticContact CE1-CE1 3.44Å; Y126-F178 HydrophobicContact CE1-CE1 3.44Å; Y126-F178 VanDerWaalsContact CE1-CE1 3.44Å; Y126-F178 HydrophobicContact CE2-CD1 4.39Å; Y126-F178 AromaticContact CE2-CE1 3.98Å; Y126-F178 HydrophobicContact CE2-CE1 3.98Å; Y126-F178 HydrophobicContact CG-CE1 4.3Å; Y126-F178 AromaticContact CZ-CD1 3.57Å; Y126-F178 AromaticContact CZ-CE1 3.5Å; Y126-F178 WeakPolarHBondContact OH-CD1 2.94Å; Y126-F179 HydrophobicContact CE2-CD2 4.04Å; Y126-F179 WeakPolarHBondContact OH-CB 3.21Å; Y126-F179 WeakPolarHBondContact OH-CD2 3.32Å; Y126-V183 HydrophobicContact CD2-CG2 4.41Å; Y126-V183 HydrophobicContact CE2-CG1 4.32Å; Y126-V183 HydrophobicContact CE2-CG2 3.69Å; Y126-F354 AromaticContact CD2-CD1 3.75Å; Y126-F354 HydrophobicContact CD2-CD1 3.75Å; Y126-F354 HydrophobicContact CD2-CE1 4.2Å; Y126-F354 HydrophobicContact CE2-CB 4.22Å; Y126-F354 AromaticContact CE2-CD1 3.6Å; Y126-F354 HydrophobicContact CE2-CD1 3.6Å; Y126-F354 HydrophobicContact CE2-CE1 4.43Å; Y126-F354 HydrophobicContact CE2-CG 4.31Å; Y126-F354 HydrophobicContact CG-CD1 4.47Å; Y126-F354 VanDerWaalsContact CZ-O 3.32Å; Y126-F354 PolarHBondContact OH-O 3.22Å; Y126-P358 HydrophobicContact CE1-CB 4.16Å; Y126-P358 HydrophobicContact CE1-CG 4.09Å; Y126-F375 VanDerWaalsContact CB-CD1 3.49Å; Y126-F375 VanDerWaalsContact CB-CZ 3.41Å; Y126-F375 AromaticContact CD1-CE1 3.79Å; Y126-F375 HydrophobicContact CD1-CE1 3.79Å; Y126-F375 AromaticContact CD1-CE2 3.56Å; Y126-F375 HydrophobicContact CD1-CE2 3.56Å; Y126-F375 AromaticContact CD1-CZ 3.11Å; Y126-F375 HydrophobicContact CD1-CZ 3.11Å; Y126-F375 HydrophobicContact CD2-CE1 4.17Å; Y126-F375 HydrophobicContact CD2-CZ 4.32Å; Y126-F375 AromaticContact CE1-CZ 3.89Å; Y126-F375 HydrophobicContact CE1-CZ 3.89Å; Y126-F375 HydrophobicContact CG-CD1 4.18Å; Y126-F375 AromaticContact CG-CE1 3.52Å; Y126-F375 HydrophobicContact CG-CE1 3.52Å; Y126-F375 AromaticContact CG-CE2 3.91Å; Y126-F375 HydrophobicContact CG-CE2 3.91Å; Y126-F375 AromaticContact CG-CZ 3.36Å; Y126-F375 HydrophobicContact CG-CZ 3.36Å |
| 127 | L | 97.9 | Very high | 96.2 | Very high | 15 Ų | 15 | 28.4 Ų | 28.4 | 8% | 0.079 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -55.7 | -44.2 | 177.9 | -179.3 | 61.4 | 0 | 0 | 0 | 111.8 | A123 L124 N129 S130 F131 V372 F375 M376 L379 | A123-L127 WeakPolarHBondContact O-CB 3.33Å; A123-L127 PolarHBondContact O-N 2.81Å; L124-L127 PolarHBondContact O-N 3Å; L127-N129 PolarHBondContact O-N 3.4Å; L127-S130 WeakPolarHBondContact O-CB 3.4Å; L127-S130 PolarHBondContact O-N 3.12Å; L127-S130 VanDerWaalsContact O-N 3.1Å; L127-F131 HydrophobicContact CD1-CE2 4.25Å; L127-F131 HydrophobicContact CD1-CZ 4.46Å; L127-F131 HydrophobicContact CG-CE2 4.35Å; L127-F131 WeakPolarHBondContact O-CD2 2.98Å; L127-F131 VanDerWaalsContact O-CE2 3.23Å; L127-F131 WeakPolarHBondContact O-CE2 3.34Å; L127-V372 HydrophobicContact CD1-CB 4.44Å; L127-V372 HydrophobicContact CD1-CG1 4.12Å; L127-F375 HydrophobicContact CB-CB 3.92Å; L127-F375 HydrophobicContact CD1-CB 4.26Å; L127-M376 HydrophobicContact CD1-CB 4.49Å; L127-M376 HydrophobicContact CD2-SD 3.74Å; L127-L379 HydrophobicContact CD2-CD2 3.73Å |
| 128 | G | 97.3 | Very high | 96 | Very high | 55 Ų | 55 | 31 Ų | 31 | 57% | 0.567 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -61.1 | -31 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L124 Y126 | L124-G128 PolarHBondContact O-N 2.88Å; Y126-G128 VanDerWaalsContact C-N 3.3Å; Y126-G128 PolarHBondContact O-N 2.9Å |
| 129 | N | 97.4 | Very high | 95.7 | Very high | 38 Ų | 38 | 33.2 Ų | 33.2 | 20% | 0.203 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -88.8 | -4.5 | 176.7 | -78.4 | -81.1 | 0 | 0 | 0 | 114 | F125 Y126 L127 F131 Q132 P136 W137 F178 | F125-N129 WeakPolarHBondContact CE1-ND2 3.29Å; F125-N129 PolarHBondContact O-N 3.44Å; F125-N129 PolarHBondContact O-ND2 2.94Å; Y126-N129 CarbonylContact O-C 3.56Å; Y126-N129 WeakPolarHBondContact O-CA 3.37Å; Y126-N129 WeakPolarHBondContact O-CB 2.98Å; Y126-N129 PolarHBondContact O-N 3.09Å; L127-N129 PolarHBondContact O-N 3.4Å; N129-F131 VanDerWaalsContact C-N 3.33Å; N129-Q132 WeakPolarHBondContact O-CG 3.42Å; N129-Q132 PolarHBondContact O-NE2 2.76Å; N129-Q132 PolarHBondContact OD1-NE2 2.79Å; N129-P136 HydrophobicContact CB-CG 3.8Å; N129-W137 HydrophobicContact CB-CZ3 3.92Å; N129-F178 HydrophobicContact CB-CZ 4.45Å |
| 130 | S | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -79.1 | -13.8 | 179.5 | -61.2 | 0 | 0 | 0 | 0 | 113.6 | Y126 L127 Q132 P368 S371 | Y126-S130 PolarHBondContact O-N 3.17Å; Y126-S130 PolarHBondContact O-OG 3.4Å; L127-S130 WeakPolarHBondContact O-CB 3.4Å; L127-S130 PolarHBondContact O-N 3.12Å; L127-S130 VanDerWaalsContact O-N 3.1Å; S130-Q132 VanDerWaalsContact C-N 3.26Å; S130-Q132 PolarHBondContact O-N 3.05Å; S130-P368 WeakPolarHBondContact O-CB 3.39Å; S130-S371 WeakPolarHBondContact CB-OG 3.16Å; S130-S371 PolarHBondContact OG-OG 3.5Å |
| 131 | F | 96.6 | Very high | 95.2 | Very high | 151 Ų | 151 | 41.7 Ų | 41.7 | 66% | 0.662 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -86.5 | 23.3 | -175.9 | -65 | -80.7 | 0 | 0 | 0 | 114.5 | L127 N129 V372 | L127-F131 HydrophobicContact CD1-CE2 4.25Å; L127-F131 HydrophobicContact CD1-CZ 4.46Å; L127-F131 HydrophobicContact CG-CE2 4.35Å; L127-F131 WeakPolarHBondContact O-CD2 2.98Å; L127-F131 VanDerWaalsContact O-CE2 3.23Å; L127-F131 WeakPolarHBondContact O-CE2 3.34Å; N129-F131 VanDerWaalsContact C-N 3.33Å; F131-V372 HydrophobicContact CD1-CG2 4.11Å; F131-V372 HydrophobicContact CE1-CG1 4.34Å; F131-V372 HydrophobicContact CE1-CG2 3.82Å; F131-V372 HydrophobicContact CE2-CG2 4.4Å; F131-V372 HydrophobicContact CZ-CG1 4.22Å; F131-V372 HydrophobicContact CZ-CG2 3.98Å |
| 132 | Q | 94.9 | Very high | 94.9 | Very high | 86 Ų | 86 | 43.8 Ų | 43.8 | 40% | 0.402 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -135.3 | 158 | -178.9 | 60.4 | -170.9 | -15.6 | 0 | 0 | 111.8 | N129 S130 P136 P368 | N129-Q132 WeakPolarHBondContact O-CG 3.42Å; N129-Q132 PolarHBondContact O-NE2 2.76Å; N129-Q132 PolarHBondContact OD1-NE2 2.79Å; S130-Q132 VanDerWaalsContact C-N 3.26Å; S130-Q132 PolarHBondContact O-N 3.05Å; Q132-P136 VanDerWaalsContact NE2-CD 3.25Å; Q132-P136 VanDerWaalsContact NE2-CG 3.3Å; Q132-P368 WeakPolarHBondContact O-CG 3.35Å |
| 133 | S | 92.1 | Very high | 94.7 | Very high | 102 Ų | 102 | 49.5 Ų | 49.5 | 71% | 0.713 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -136.6 | 120 | 176.3 | -169.1 | 0 | 0 | 0 | 0 | 108.9 | ||
| 134 | P | 92.1 | Very high | 94.5 | Very high | 76 Ų | 76 | 51.7 Ų | 51.7 | 49% | 0.494 | 30% | 0.298 | S | S | . | . | S | Bend | cis | -69 | 159 | -0.4 | 31 | -35.7 | 0 | 0 | 0 | 113.3 | Q138 T139 | P134-Q138 HydrophobicContact CB-CB 4.36Å; P134-T139 HydrophobicContact CG-CG2 4.44Å |
| 135 | L | 95.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | trans | -68.5 | 145.6 | 170 | -64.4 | 166.8 | 0 | 0 | 0 | 109.5 | W137 Q138 A367 P368 | L135-W137 HydrophobicContact CB-CD2 4.09Å; L135-W137 HydrophobicContact CB-CG 4.48Å; L135-W137 HydrophobicContact CB-CZ2 4Å; L135-W137 HydrophobicContact CD1-CZ2 3.72Å; L135-W137 HydrophobicContact CD2-CH2 3.97Å; L135-W137 HydrophobicContact CD2-CZ2 3.75Å; L135-W137 HydrophobicContact CG-CZ2 4.03Å; L135-W137 PolarHBondContact O-N 3.39Å; L135-W137 VanDerWaalsContact O-N 3.13Å; L135-Q138 HydrophobicContact CB-CG 4.07Å; L135-Q138 VanDerWaalsContact O-CB 3.28Å; L135-Q138 WeakPolarHBondContact O-CB 3.47Å; L135-Q138 PolarHBondContact O-N 2.98Å; L135-A367 HydrophobicContact CD1-CB 3.65Å; L135-P368 HydrophobicContact CD2-CG 4.46Å | ||
| 136 | P | 94.8 | Very high | 93.9 | Very high | 11 Ų | 11 | 52.5 Ų | 52.5 | 7% | 0.071 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -16.7 | -172.2 | 22.2 | -26.9 | 0 | 0 | 0 | 113.5 | N129 Q132 W144 F178 | N129-P136 HydrophobicContact CB-CG 3.8Å; Q132-P136 VanDerWaalsContact NE2-CD 3.25Å; Q132-P136 VanDerWaalsContact NE2-CG 3.3Å; P136-W144 HydrophobicContact CB-CH2 4.3Å; P136-W144 HydrophobicContact CB-CZ2 4.23Å; P136-F178 HydrophobicContact CB-CD2 4.05Å; P136-F178 HydrophobicContact CB-CE2 3.68Å; P136-F178 HydrophobicContact CG-CD2 4.32Å; P136-F178 HydrophobicContact CG-CE2 3.61Å; P136-F178 HydrophobicContact CG-CZ 3.95Å |
| 137 | W | 94.5 | Very high | 93.4 | Very high | 3 Ų | 3 | 57.7 Ų | 57.7 | 1% | 0.011 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 8.6 | 171.4 | 53.4 | 88.4 | 0 | 0 | 0 | 114.4 | Y126 N129 L135 A174 A175 F178 P358 S371 F375 | Y126-W137 HydrophobicContact CD1-CD2 4.39Å; Y126-W137 AromaticContact CD1-CE3 3.83Å; Y126-W137 HydrophobicContact CD1-CE3 3.83Å; Y126-W137 AromaticContact CD1-CH2 3.8Å; Y126-W137 HydrophobicContact CD1-CH2 3.8Å; Y126-W137 HydrophobicContact CD1-CZ2 4.35Å; Y126-W137 AromaticContact CD1-CZ3 3.5Å; Y126-W137 HydrophobicContact CD1-CZ3 3.5Å; Y126-W137 HydrophobicContact CE1-CD2 4.26Å; Y126-W137 AromaticContact CE1-CE3 3.9Å; Y126-W137 HydrophobicContact CE1-CE3 3.9Å; Y126-W137 HydrophobicContact CE1-CZ3 4.07Å; Y126-W137 HydrophobicContact CG-CZ3 4.38Å; N129-W137 HydrophobicContact CB-CZ3 3.92Å; L135-W137 HydrophobicContact CB-CD2 4.09Å; L135-W137 HydrophobicContact CB-CG 4.48Å; L135-W137 HydrophobicContact CB-CZ2 4Å; L135-W137 HydrophobicContact CD1-CZ2 3.72Å; L135-W137 HydrophobicContact CD2-CH2 3.97Å; L135-W137 HydrophobicContact CD2-CZ2 3.75Å; L135-W137 HydrophobicContact CG-CZ2 4.03Å; L135-W137 PolarHBondContact O-N 3.39Å; L135-W137 VanDerWaalsContact O-N 3.13Å; W137-A174 WeakPolarHBondContact O-CB 3.13Å; W137-A175 HydrophobicContact CB-CB 4.03Å; W137-A175 PolarHBondContact O-N 3.37Å; W137-F178 HydrophobicContact CB-CB 3.78Å; W137-F178 HydrophobicContact CB-CD1 4.09Å; W137-F178 HydrophobicContact CB-CG 3.9Å; W137-F178 HydrophobicContact CD2-CD1 4.49Å; W137-F178 AromaticContact CE3-CD1 3.81Å; W137-F178 HydrophobicContact CE3-CD1 3.81Å; W137-F178 AromaticContact CE3-CE1 3.5Å; W137-F178 HydrophobicContact CE3-CE1 3.5Å; W137-F178 HydrophobicContact CE3-CE2 4.32Å; W137-F178 HydrophobicContact CE3-CG 4.34Å; W137-F178 AromaticContact CE3-CZ 3.78Å; W137-F178 HydrophobicContact CE3-CZ 3.78Å; W137-F178 AromaticContact CZ3-CE1 3.95Å; W137-F178 HydrophobicContact CZ3-CE1 3.95Å; W137-F178 HydrophobicContact CZ3-CZ 4.07Å; W137-P358 HydrophobicContact CD2-CB 4.42Å; W137-P358 HydrophobicContact CG-CB 4.38Å; W137-P358 PolarHBondContact NE1-O 3.46Å; W137-P358 VanDerWaalsContact NE1-O 3.11Å; W137-S371 VanDerWaalsContact CZ2-OG 3.28Å; W137-S371 WeakPolarHBondContact CZ2-OG 3.34Å; W137-F375 HydrophobicContact CH2-CE2 4.1Å; W137-F375 HydrophobicContact CZ2-CE2 4.11Å |
| 138 | Q | 91.5 | Very high | 92.8 | Very high | 53 Ų | 53 | 62.9 Ų | 62.9 | 25% | 0.248 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -90 | -23.7 | 175.7 | -79 | 176.2 | -39.5 | 0 | 0 | 114.2 | P134 L135 S362 | P134-Q138 HydrophobicContact CB-CB 4.36Å; L135-Q138 HydrophobicContact CB-CG 4.07Å; L135-Q138 VanDerWaalsContact O-CB 3.28Å; L135-Q138 WeakPolarHBondContact O-CB 3.47Å; L135-Q138 PolarHBondContact O-N 2.98Å; Q138-S362 PolarHBondContact NE2-O 3.1Å |
| 139 | T | 90.7 | Very high | 92.4 | Very high | 48 Ų | 48 | 61 Ų | 61 | 29% | 0.294 | 35% | 0.35 | S | S | . | . | trans | -126.8 | 149.5 | -166.1 | 60.3 | 0 | 0 | 0 | 0 | 112.6 | P134 N142 N145 | P134-T139 HydrophobicContact CG-CG2 4.44Å; T139-N142 PolarHBondContact O-ND2 2.93Å; T139-N142 PolarHBondContact OG1-ND2 3.06Å; T139-N145 PolarHBondContact O-ND2 2.97Å | ||
| 140 | C | 91 | Very high | 91.8 | Very high | 22 Ų | 22 | 62.5 Ų | 62.5 | 15% | 0.149 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -89.8 | -4.3 | 176.8 | -70.6 | 0 | 0 | 0 | 0 | 114 | N142 N145 C149 T151 | C140-N142 VanDerWaalsContact C-N 3.28Å; C140-N142 PolarHBondContact O-N 3.06Å; C140-N142 VanDerWaalsContact O-N 3.07Å; C140-N145 WeakPolarHBondContact CA-ND2 3.43Å; C140-N145 VanDerWaalsContact O-CB 3.24Å; C140-N145 WeakPolarHBondContact O-CB 3.39Å; C140-N145 PolarHBondContact O-ND2 3.11Å; C140-C149 VanDerWaalsContact CA-SG 3.55Å; C140-C149 HydrophobicContact CB-CB 3.69Å; C140-C149 WeakPolarHBondContact CB-SG 3.39Å; C140-C149 WeakPolarHBondContact SG-CB 3.28Å; C140-C149 PolarHBondContact SG-O 3.17Å; C140-C149 VanDerWaalsContact SG-O 3.39Å; C140-C149 CovalentContact SG-SG 2.04Å; C140-C149 PolarHBondContact SG-SG 3.05Å; C140-T151 HydrophobicContact CB-CG2 3.9Å |
| 141 | N | 88.6 | Confident | 91.1 | Very high | 161 Ų | 161 | 64.1 Ų | 64.1 | 86% | 0.861 | 37% | 0.368 | S | S | * | . | trans | -85.7 | 36.9 | -176.1 | -72.1 | -5.1 | 0 | 0 | 0 | 115.1 | ||||
| 142 | N | 91.6 | Very high | 89.9 | Confident | 45 Ų | 45 | 59.2 Ų | 59.2 | 24% | 0.241 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -110.2 | 157.4 | -178.6 | -60.4 | -71.3 | 0 | 0 | 0 | 111.8 | T139 C140 W144 N145 | T139-N142 PolarHBondContact O-ND2 2.93Å; T139-N142 PolarHBondContact OG1-ND2 3.06Å; C140-N142 VanDerWaalsContact C-N 3.28Å; C140-N142 PolarHBondContact O-N 3.06Å; C140-N142 VanDerWaalsContact O-N 3.07Å; N142-W144 HydrophobicContact CB-CD2 3.67Å; N142-W144 VanDerWaalsContact CB-CE2 3.41Å; N142-W144 HydrophobicContact CB-CE3 3.83Å; N142-W144 HydrophobicContact CB-CG 4.44Å; N142-W144 HydrophobicContact CB-CH2 3.51Å; N142-W144 HydrophobicContact CB-CZ2 3.34Å; N142-W144 HydrophobicContact CB-CZ3 3.75Å; N142-W144 VanDerWaalsContact CG-CH2 3.45Å; N142-W144 PolarHBondContact O-N 2.96Å; N142-W144 VanDerWaalsContact O-N 3.16Å; N142-W144 WeakPolarHBondContact OD1-CH2 3.2Å; N142-N145 PolarHBondContact N-ND2 3Å; N142-N145 PolarHBondContact ND2-ND2 3.23Å; N142-N145 PolarHBondContact O-N 3.09Å; N142-N145 VanDerWaalsContact O-N 3.1Å |
| 143 | S | 92.4 | Very high | 88.5 | Confident | 122 Ų | 122 | 61.9 Ų | 61.9 | 85% | 0.853 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -22.8 | -176.7 | 60.5 | 0 | 0 | 0 | 0 | 114.5 | ||
| 144 | W | 93.2 | Very high | 86.8 | Confident | 47 Ų | 47 | 60.5 Ų | 60.5 | 18% | 0.178 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -3.9 | 179.3 | 60.8 | 82.7 | 0 | 0 | 0 | 113.5 | P136 N142 F178 R181 N182 | P136-W144 HydrophobicContact CB-CH2 4.3Å; P136-W144 HydrophobicContact CB-CZ2 4.23Å; N142-W144 HydrophobicContact CB-CD2 3.67Å; N142-W144 VanDerWaalsContact CB-CE2 3.41Å; N142-W144 HydrophobicContact CB-CE3 3.83Å; N142-W144 HydrophobicContact CB-CG 4.44Å; N142-W144 HydrophobicContact CB-CH2 3.51Å; N142-W144 HydrophobicContact CB-CZ2 3.34Å; N142-W144 HydrophobicContact CB-CZ3 3.75Å; N142-W144 VanDerWaalsContact CG-CH2 3.45Å; N142-W144 PolarHBondContact O-N 2.96Å; N142-W144 VanDerWaalsContact O-N 3.16Å; N142-W144 WeakPolarHBondContact OD1-CH2 3.2Å; W144-F178 AromaticContact CZ2-CD2 3.84Å; W144-F178 HydrophobicContact CZ2-CD2 3.84Å; W144-F178 HydrophobicContact CZ2-CE2 4.32Å; W144-R181 HydrophobicContact CB-CB 4.37Å; W144-R181 WeakPolarHBondContact O-CB 3.24Å; W144-R181 WeakPolarHBondContact O-CD 3.42Å; W144-R181 VanDerWaalsContact O-CZ 3.3Å; W144-R181 PolarHBondContact O-NE 3.03Å; W144-R181 PolarHBondContact O-NH1 3.19Å; W144-N182 HydrophobicContact CB-CB 4.2Å; W144-N182 HydrophobicContact CD2-CB 3.67Å; W144-N182 HydrophobicContact CE3-CB 4.28Å; W144-N182 HydrophobicContact CG-CB 3.6Å |
| 145 | N | 93.6 | Very high | 84.8 | Confident | 23 Ų | 23 | 60.1 Ų | 60.1 | 12% | 0.123 | 36% | 0.361 | C | S | . | . | trans | -84.2 | 150.4 | -175.2 | -69.2 | -20.7 | 0 | 0 | 0 | 112.4 | T139 C140 N142 C149 E177 R181 | T139-N145 PolarHBondContact O-ND2 2.97Å; C140-N145 WeakPolarHBondContact CA-ND2 3.43Å; C140-N145 VanDerWaalsContact O-CB 3.24Å; C140-N145 WeakPolarHBondContact O-CB 3.39Å; C140-N145 PolarHBondContact O-ND2 3.11Å; N142-N145 PolarHBondContact N-ND2 3Å; N142-N145 PolarHBondContact ND2-ND2 3.23Å; N142-N145 PolarHBondContact O-N 3.09Å; N142-N145 VanDerWaalsContact O-N 3.1Å; N145-C149 HydrophobicContact CB-CB 4.29Å; N145-E177 WeakPolarHBondContact CA-OE2 3.35Å; N145-E177 WeakPolarHBondContact CB-OE2 3.31Å; N145-E177 PolarHBondContact OD1-OE2 3.21Å; N145-R181 PolarHBondContact O-NH1 2.67Å | ||
| 146 | T | 91.1 | Very high | 82.3 | Confident | 45 Ų | 45 | 68.1 Ų | 68.1 | 28% | 0.276 | 40% | 0.403 | S | S | . | . | trans | -89.3 | 167.7 | 175.1 | 76.6 | 0 | 0 | 0 | 0 | 110.8 | Q148 C149 E177 R181 | T146-Q148 PolarHBondContact O-N 3.4Å; T146-Q148 PolarHBondContact OG1-N 2.9Å; T146-C149 WeakPolarHBondContact O-CB 3.46Å; T146-C149 PolarHBondContact O-N 3.23Å; T146-C149 PolarHBondContact OG1-N 3.1Å; T146-E177 WeakPolarHBondContact CB-OE1 3.44Å; T146-E177 WeakPolarHBondContact CG2-OE1 3.41Å; T146-E177 PolarHBondContact N-OE2 2.94Å; T146-E177 PolarHBondContact OG1-OE1 3.15Å; T146-R181 VanDerWaalsContact CG2-CZ 3.47Å; T146-R181 VanDerWaalsContact N-NH1 3.18Å | ||
| 147 | A | 87.1 | Confident | 79.7 | Confident | 109 Ų | 109 | 70.3 Ų | 70.3 | 90% | 0.901 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -8.2 | 169 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 148 | Q | 85.5 | Confident | 77.1 | Confident | 124 Ų | 124 | 77.1 Ų | 77.1 | 58% | 0.579 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -1.8 | 177.1 | -63.1 | 177.6 | -41.9 | 0 | 0 | 112.5 | T146 L150 G171 T172 | T146-Q148 PolarHBondContact O-N 3.4Å; T146-Q148 PolarHBondContact OG1-N 2.9Å; Q148-L150 PolarHBondContact O-N 3.02Å; Q148-G171 VanDerWaalsContact O-CA 3.26Å; Q148-G171 WeakPolarHBondContact O-CA 3.33Å; Q148-T172 PolarHBondContact O-N 3.33Å |
| 149 | C | 88.6 | Confident | 74.6 | Confident | 14 Ų | 14 | 79.7 Ų | 79.7 | 10% | 0.095 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 124.8 | 176.3 | -174.5 | 0 | 0 | 0 | 0 | 110.2 | C140 N145 T146 T172 E177 | C140-C149 VanDerWaalsContact CA-SG 3.55Å; C140-C149 HydrophobicContact CB-CB 3.69Å; C140-C149 WeakPolarHBondContact CB-SG 3.39Å; C140-C149 WeakPolarHBondContact SG-CB 3.28Å; C140-C149 PolarHBondContact SG-O 3.17Å; C140-C149 VanDerWaalsContact SG-O 3.39Å; C140-C149 CovalentContact SG-SG 2.04Å; C140-C149 PolarHBondContact SG-SG 3.05Å; N145-C149 HydrophobicContact CB-CB 4.29Å; T146-C149 WeakPolarHBondContact O-CB 3.46Å; T146-C149 PolarHBondContact O-N 3.23Å; T146-C149 PolarHBondContact OG1-N 3.1Å; C149-T172 WeakPolarHBondContact CA-O 3.5Å; C149-E177 WeakPolarHBondContact CB-OE2 3.45Å |
| 150 | L | 85.5 | Confident | 72.1 | Confident | 71 Ų | 71 | 85.3 Ų | 85.3 | 37% | 0.372 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 131.9 | 175.3 | -61.4 | 177.4 | 0 | 0 | 0 | 109.9 | Q148 I169 T172 A174 | Q148-L150 PolarHBondContact O-N 3.02Å; L150-I169 HydrophobicContact CD1-CG2 4.16Å; L150-I169 HydrophobicContact CD2-CG2 4.47Å; L150-T172 PolarHBondContact N-O 3.03Å; L150-A174 PolarHBondContact O-N 2.97Å |
| 151 | T | 81.6 | Confident | 69.5 | Low | 34 Ų | 34 | 90.8 Ų | 90.8 | 21% | 0.209 | 54% | 0.536 | C | S | . | . | trans | -83.4 | 150.8 | 166.9 | 68.6 | 0 | 0 | 0 | 0 | 109.9 | C140 N153 D154 | C140-T151 HydrophobicContact CB-CG2 3.9Å; T151-N153 PolarHBondContact O-N 3.27Å; T151-N153 VanDerWaalsContact O-N 3.09Å; T151-D154 PolarHBondContact N-OD2 3.11Å; T151-D154 VanDerWaalsContact N-OD2 3.08Å; T151-D154 PolarHBondContact O-N 3.09Å; T151-D154 PolarHBondContact OG1-N 3.27Å; T151-D154 PolarHBondContact OG1-OD2 3.44Å | ||
| 152 | D | 71.5 | Confident | 67.4 | Low | 47 Ų | 47 | 86.8 Ų | 86.8 | 25% | 0.251 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -15.5 | 177.8 | -75.5 | -31.5 | 0 | 0 | 0 | 112.8 | L337 R359 | D152-L337 HydrophobicContact CB-CD2 3.82Å; D152-R359 IonicContact OD1-CZ 3.21Å; D152-R359 IonicContact OD1-NE 2.98Å; D152-R359 PolarHBondContact OD1-NE 3.4Å; D152-R359 IonicContact OD1-NH2 2.66Å; D152-R359 PolarHBondContact OD1-NH2 3.47Å; D152-R359 WeakPolarHBondContact OD2-CG 3.42Å; D152-R359 IonicContact OD2-NE 3.23Å; D152-R359 PolarHBondContact OD2-NE 3.12Å |
| 153 | N | 65.5 | Low | 64.8 | Low | 143 Ų | 143 | 89.7 Ų | 89.7 | 77% | 0.765 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -18.6 | 174.5 | -70.7 | -10.8 | 0 | 0 | 0 | 113.9 | T151 G155 | T151-N153 PolarHBondContact O-N 3.27Å; T151-N153 VanDerWaalsContact O-N 3.09Å; N153-G155 PolarHBondContact O-N 3.45Å |
| 154 | D | 56.6 | Low | 62.4 | Low | 72 Ų | 72 | 94 Ų | 94 | 39% | 0.385 | 55% | 0.546 | S | S | . | . | G | 310 helix | trans | -71.1 | -10.3 | -176.6 | -73.4 | -43 | 0 | 0 | 0 | 113.3 | T151 N156 A157 | T151-D154 PolarHBondContact N-OD2 3.11Å; T151-D154 VanDerWaalsContact N-OD2 3.08Å; T151-D154 PolarHBondContact O-N 3.09Å; T151-D154 PolarHBondContact OG1-N 3.27Å; T151-D154 PolarHBondContact OG1-OD2 3.44Å; D154-N156 PolarHBondContact O-N 3.01Å; D154-N156 VanDerWaalsContact O-N 3.12Å; D154-A157 CarbonylContact O-C 3.57Å; D154-A157 PolarHBondContact O-N 2.95Å |
| 155 | G | 51 | Low | 59.9 | Low | 69 Ų | 69 | 98.3 Ų | 98.3 | 71% | 0.711 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -59 | -22.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | N153 | N153-G155 PolarHBondContact O-N 3.45Š|
| 156 | N | 43.6 | Very low | 57.3 | Low | 167 Ų | 167 | 105.6 Ų | 105.6 | 89% | 0.893 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -101.8 | -9.5 | 175.4 | -71.3 | -10.8 | 0 | 0 | 0 | 113.7 | D154 | D154-N156 PolarHBondContact O-N 3.01Å; D154-N156 VanDerWaalsContact O-N 3.12Å |
| 157 | A | 38.6 | Very low | 54.9 | Low | 57 Ų | 57 | 105.6 Ų | 105.6 | 47% | 0.471 | 62% | 0.62 | S | S | . | * | trans | -109.7 | 67.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | D154 P159 | D154-A157 CarbonylContact O-C 3.57Å; D154-A157 PolarHBondContact O-N 2.95Å; A157-P159 WeakPolarHBondContact O-CD 3.17Å | ||
| 158 | L | 40.3 | Very low | 52.9 | Low | 146 Ų | 146 | 106.6 Ų | 106.6 | 76% | 0.764 | 62% | 0.615 | S | S | * | * | trans | -68.2 | 108.8 | 148.9 | -75.7 | 162.8 | 0 | 0 | 0 | 105.8 | D160 | L158-D160 PolarHBondContact O-N 3.05Š| ||
| 159 | P | 38.4 | Very low | 51.3 | Low | 107 Ų | 107 | 106.4 Ų | 106.4 | 70% | 0.695 | 62% | 0.617 | S | S | * | * | trans | -60.3 | 130.3 | 163.7 | 23.9 | -30.7 | 0 | 0 | 0 | 107.7 | A157 N161 | A157-P159 WeakPolarHBondContact O-CD 3.17Å; P159-N161 PolarHBondContact O-N 3.47Å | ||
| 160 | D | 38.6 | Very low | 50.1 | Low | 166 Ų | 166 | 112 Ų | 112 | 89% | 0.888 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -54.5 | 8.1 | 179.7 | -84.3 | -37.2 | 0 | 0 | 0 | 115.8 | L158 A162 | L158-D160 PolarHBondContact O-N 3.05Å; D160-A162 VanDerWaalsContact C-N 3.35Å; D160-A162 PolarHBondContact O-N 2.91Å; D160-A162 VanDerWaalsContact O-N 3.16Å |
| 161 | N | 37.8 | Very low | 49.6 | Very low | 138 Ų | 138 | 109.9 Ų | 109.9 | 74% | 0.738 | 64% | 0.642 | S | S | * | * | trans | -85.7 | 81.5 | 165.1 | -87.1 | -9.7 | 0 | 0 | 0 | 110.5 | P159 S163 | P159-N161 PolarHBondContact O-N 3.47Å; N161-S163 PolarHBondContact O-N 2.94Å | ||
| 162 | A | 42.8 | Very low | 49.9 | Very low | 76 Ų | 76 | 110 Ų | 110 | 63% | 0.628 | 64% | 0.642 | S | S | * | * | trans | -59.9 | 41.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | D160 L165 | D160-A162 VanDerWaalsContact C-N 3.35Å; D160-A162 PolarHBondContact O-N 2.91Å; D160-A162 VanDerWaalsContact O-N 3.16Å; A162-L165 HydrophobicContact CB-CD1 3.74Å | ||
| 163 | S | 37.5 | Very low | 50.7 | Low | 107 Ų | 107 | 108.2 Ų | 108.2 | 75% | 0.748 | 63% | 0.633 | S | S | * | * | trans | -108.3 | 19.6 | 175 | 58.7 | 0 | 0 | 0 | 0 | 114.2 | N161 | N161-S163 PolarHBondContact O-N 2.94Š| ||
| 164 | R | 42 | Very low | 51.9 | Low | 211 Ų | 211 | 101.7 Ų | 101.7 | 80% | 0.796 | 60% | 0.599 | S | S | * | * | trans | -124.5 | 19.8 | 168 | -70.1 | -167.7 | 174.5 | -175.1 | 0 | 114.5 | N166 | R164-N166 VanDerWaalsContact C-N 3.3Å; R164-N166 PolarHBondContact O-N 3.27Å | ||
| 165 | L | 41.6 | Very low | 53.6 | Low | 139 Ų | 139 | 98.3 Ų | 98.3 | 73% | 0.728 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | 8.7 | -175.2 | -89.8 | 158.9 | 0 | 0 | 0 | 116.7 | A162 | A162-L165 HydrophobicContact CB-CD1 3.74Š|
| 166 | N | 39.1 | Very low | 55.5 | Low | 175 Ų | 175 | 98.1 Ų | 98.1 | 94% | 0.936 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.2 | 9.8 | 179 | -86.9 | 3.1 | 0 | 0 | 0 | 115.3 | R164 | R164-N166 VanDerWaalsContact C-N 3.3Å; R164-N166 PolarHBondContact O-N 3.27Å |
| 167 | G | 40.8 | Very low | 57.9 | Low | 46 Ų | 46 | 90.4 Ų | 90.4 | 47% | 0.474 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -126 | 125.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | I169 | G167-I169 PolarHBondContact O-N 3.46Š|
| 168 | T | 43.9 | Very low | 60.6 | Low | 130 Ų | 130 | 87.7 Ų | 87.7 | 80% | 0.798 | 50% | 0.498 | S | S | * | . | trans | -44.7 | 112.8 | 157.1 | 21.2 | 0 | 0 | 0 | 0 | 107.6 | N170 | T168-N170 PolarHBondContact O-N 3.37Š| ||
| 169 | I | 51.1 | Low | 63.3 | Low | 119 Ų | 119 | 81 Ų | 81 | 61% | 0.61 | 46% | 0.463 | S | S | * | . | trans | -69.6 | 92.5 | 173.5 | -58.2 | 176 | 0 | 0 | 0 | 105.5 | L150 G167 G171 | L150-I169 HydrophobicContact CD1-CG2 4.16Å; L150-I169 HydrophobicContact CD2-CG2 4.47Å; G167-I169 PolarHBondContact O-N 3.46Å; I169-G171 PolarHBondContact O-N 3.47Å | ||
| 170 | N | 64.9 | Low | 65.9 | Low | 131 Ų | 131 | 78.4 Ų | 78.4 | 70% | 0.701 | 44% | 0.443 | S | S | * | . | trans | -73.1 | 63.9 | 164.8 | -71.8 | -0 | 0 | 0 | 0 | 107.9 | T168 | T168-N170 PolarHBondContact O-N 3.37Š| ||
| 171 | G | 75.5 | Confident | 68.6 | Low | 28 Ų | 28 | 73.5 Ų | 73.5 | 29% | 0.289 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -84 | 142.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111 | Q148 I169 | Q148-G171 VanDerWaalsContact O-CA 3.26Å; Q148-G171 WeakPolarHBondContact O-CA 3.33Å; I169-G171 PolarHBondContact O-N 3.47Å |
| 172 | T | 86 | Confident | 71.4 | Confident | 36 Ų | 36 | 68 Ų | 68 | 22% | 0.221 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 147.1 | 179.5 | 33.8 | 0 | 0 | 0 | 0 | 110.1 | Q148 C149 L150 E177 | Q148-T172 PolarHBondContact O-N 3.33Å; C149-T172 WeakPolarHBondContact CA-O 3.5Å; L150-T172 PolarHBondContact N-O 3.03Å; T172-E177 PolarHBondContact OG1-OE1 3.07Å |
| 173 | S | 88.3 | Confident | 73.9 | Confident | 9 Ų | 9 | 64.3 Ų | 64.3 | 6% | 0.063 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 151.4 | 178.4 | 68.2 | 0 | 0 | 0 | 0 | 112.1 | A175 E176 E177 | S173-A175 PolarHBondContact O-N 3.26Å; S173-A175 VanDerWaalsContact O-N 3.16Å; S173-E176 WeakPolarHBondContact O-CB 3.45Å; S173-E176 PolarHBondContact O-N 2.92Å; S173-E176 VanDerWaalsContact OG-CB 3.29Å; S173-E176 WeakPolarHBondContact OG-CB 3.33Å; S173-E176 PolarHBondContact OG-N 3.4Å; S173-E177 PolarHBondContact O-N 3.5Å |
| 174 | A | 92 | Very high | 76.7 | Confident | 6 Ų | 6 | 59.6 Ų | 59.6 | 5% | 0.05 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -55 | -33.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | W137 L150 F178 | W137-A174 WeakPolarHBondContact O-CB 3.13Å; L150-A174 PolarHBondContact O-N 2.97Å; A174-F178 WeakPolarHBondContact O-CB 3.13Å; A174-F178 PolarHBondContact O-N 2.95Å |
| 175 | A | 92.3 | Very high | 79.2 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.008 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -72.3 | -35.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | W137 S173 F179 R359 | W137-A175 HydrophobicContact CB-CB 4.03Å; W137-A175 PolarHBondContact O-N 3.37Å; S173-A175 PolarHBondContact O-N 3.26Å; S173-A175 VanDerWaalsContact O-N 3.16Å; A175-F179 PolarHBondContact O-N 3.03Å; A175-F179 VanDerWaalsContact O-N 3.09Å; A175-R359 HydrophobicContact CB-CB 3.77Å; A175-R359 HydrophobicContact CB-CG 4.42Å |
| 176 | E | 91.1 | Very high | 81.6 | Confident | 65 Ų | 65 | 45.8 Ų | 45.8 | 30% | 0.304 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67.2 | -45.9 | 174.4 | 179.8 | 174 | -173.5 | 0 | 0 | 111 | S173 F178 F179 L180 I355 | S173-E176 WeakPolarHBondContact O-CB 3.45Å; S173-E176 PolarHBondContact O-N 2.92Å; S173-E176 VanDerWaalsContact OG-CB 3.29Å; S173-E176 WeakPolarHBondContact OG-CB 3.33Å; S173-E176 PolarHBondContact OG-N 3.4Å; E176-F178 VanDerWaalsContact C-N 3.33Å; E176-F178 PolarHBondContact O-N 3.13Å; E176-F179 PolarHBondContact O-N 3.39Å; E176-L180 HydrophobicContact CG-CD1 3.78Å; E176-L180 HydrophobicContact CG-CG 4.4Å; E176-L180 WeakPolarHBondContact O-CB 3.29Å; E176-L180 WeakPolarHBondContact O-CG 3.11Å; E176-L180 PolarHBondContact O-N 2.91Å; E176-I355 HydrophobicContact CB-CG2 3.71Å; E176-I355 HydrophobicContact CG-CD1 4.27Å; E176-I355 HydrophobicContact CG-CG2 4.42Å |
| 177 | E | 93.7 | Very high | 84.1 | Confident | 5 Ų | 5 | 42 Ų | 42 | 2% | 0.023 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.2 | -34.4 | 176.4 | -65.6 | -160.2 | 178.4 | 0 | 0 | 112.6 | N145 T146 C149 T172 S173 F179 R181 N182 | N145-E177 WeakPolarHBondContact CA-OE2 3.35Å; N145-E177 WeakPolarHBondContact CB-OE2 3.31Å; N145-E177 PolarHBondContact OD1-OE2 3.21Å; T146-E177 WeakPolarHBondContact CB-OE1 3.44Å; T146-E177 WeakPolarHBondContact CG2-OE1 3.41Å; T146-E177 PolarHBondContact N-OE2 2.94Å; T146-E177 PolarHBondContact OG1-OE1 3.15Å; C149-E177 WeakPolarHBondContact CB-OE2 3.45Å; T172-E177 PolarHBondContact OG1-OE1 3.07Å; S173-E177 PolarHBondContact O-N 3.5Å; E177-F179 PolarHBondContact O-N 3.44Å; E177-R181 WeakPolarHBondContact O-CA 3.39Å; E177-R181 VanDerWaalsContact O-CB 3.24Å; E177-R181 WeakPolarHBondContact O-CB 3.31Å; E177-R181 PolarHBondContact O-N 3.12Å; E177-N182 PolarHBondContact O-N 2.98Å |
| 178 | F | 95.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | I | π-helix | trans | -58.5 | -48.6 | 171 | -179 | -98.8 | 0 | 0 | 0 | 110.8 | F125 Y126 N129 P136 W137 W144 A174 E176 N182 V183 | F125-F178 HydrophobicContact CD1-CZ 4.33Å; F125-F178 HydrophobicContact CE1-CE1 4.42Å; F125-F178 HydrophobicContact CE1-CE2 4.45Å; F125-F178 AromaticContact CE1-CZ 3.78Å; F125-F178 HydrophobicContact CE1-CZ 3.78Å; Y126-F178 HydrophobicContact CD1-CD1 4.44Å; Y126-F178 AromaticContact CD1-CE1 3.84Å; Y126-F178 HydrophobicContact CD1-CE1 3.84Å; Y126-F178 HydrophobicContact CD2-CE1 4.36Å; Y126-F178 AromaticContact CE1-CD1 3.62Å; Y126-F178 HydrophobicContact CE1-CD1 3.62Å; Y126-F178 AromaticContact CE1-CE1 3.44Å; Y126-F178 HydrophobicContact CE1-CE1 3.44Å; Y126-F178 VanDerWaalsContact CE1-CE1 3.44Å; Y126-F178 HydrophobicContact CE2-CD1 4.39Å; Y126-F178 AromaticContact CE2-CE1 3.98Å; Y126-F178 HydrophobicContact CE2-CE1 3.98Å; Y126-F178 HydrophobicContact CG-CE1 4.3Å; Y126-F178 AromaticContact CZ-CD1 3.57Å; Y126-F178 AromaticContact CZ-CE1 3.5Å; Y126-F178 WeakPolarHBondContact OH-CD1 2.94Å; N129-F178 HydrophobicContact CB-CZ 4.45Å; P136-F178 HydrophobicContact CB-CD2 4.05Å; P136-F178 HydrophobicContact CB-CE2 3.68Å; P136-F178 HydrophobicContact CG-CD2 4.32Å; P136-F178 HydrophobicContact CG-CE2 3.61Å; P136-F178 HydrophobicContact CG-CZ 3.95Å; W137-F178 HydrophobicContact CB-CB 3.78Å; W137-F178 HydrophobicContact CB-CD1 4.09Å; W137-F178 HydrophobicContact CB-CG 3.9Å; W137-F178 HydrophobicContact CD2-CD1 4.49Å; W137-F178 AromaticContact CE3-CD1 3.81Å; W137-F178 HydrophobicContact CE3-CD1 3.81Å; W137-F178 AromaticContact CE3-CE1 3.5Å; W137-F178 HydrophobicContact CE3-CE1 3.5Å; W137-F178 HydrophobicContact CE3-CE2 4.32Å; W137-F178 HydrophobicContact CE3-CG 4.34Å; W137-F178 AromaticContact CE3-CZ 3.78Å; W137-F178 HydrophobicContact CE3-CZ 3.78Å; W137-F178 AromaticContact CZ3-CE1 3.95Å; W137-F178 HydrophobicContact CZ3-CE1 3.95Å; W137-F178 HydrophobicContact CZ3-CZ 4.07Å; W144-F178 AromaticContact CZ2-CD2 3.84Å; W144-F178 HydrophobicContact CZ2-CD2 3.84Å; W144-F178 HydrophobicContact CZ2-CE2 4.32Å; A174-F178 WeakPolarHBondContact O-CB 3.13Å; A174-F178 PolarHBondContact O-N 2.95Å; E176-F178 VanDerWaalsContact C-N 3.33Å; E176-F178 PolarHBondContact O-N 3.13Å; F178-N182 HydrophobicContact CD2-CB 4.15Å; F178-N182 HydrophobicContact CE2-CB 4.49Å; F178-N182 WeakPolarHBondContact CE2-ND2 3.49Å; F178-N182 CarbonylContact O-C 3.57Å; F178-N182 WeakPolarHBondContact O-CA 3.45Å; F178-N182 VanDerWaalsContact O-CB 3.23Å; F178-N182 WeakPolarHBondContact O-CB 3.49Å; F178-N182 PolarHBondContact O-N 3.22Å; F178-N182 VanDerWaalsContact O-N 3.13Å; F178-V183 HydrophobicContact CD1-CG2 3.78Å; F178-V183 HydrophobicContact CE1-CG2 3.47Å; F178-V183 VanDerWaalsContact CE1-CG2 3.47Å; F178-V183 HydrophobicContact CZ-CG2 4.02Å; F178-V183 WeakPolarHBondContact O-CG2 3.39Å; F178-V183 PolarHBondContact O-N 2.74Å |
| 179 | F | 95.5 | Very high | 88.9 | Confident | 6 Ų | 6 | 39 Ų | 39 | 3% | 0.026 | 20% | 0.202 | C | C | . | . | I | π-helix | trans | -65.8 | -55.5 | 178.2 | -172.6 | -116.3 | 0 | 0 | 0 | 112.3 | W122 Y126 A175 E176 E177 V183 L184 F354 I355 | W122-F179 HydrophobicContact CD2-CE2 4.19Å; W122-F179 HydrophobicContact CD2-CZ 4.39Å; W122-F179 HydrophobicContact CE3-CE2 4.05Å; W122-F179 AromaticContact CE3-CZ 3.97Å; W122-F179 HydrophobicContact CE3-CZ 3.97Å; W122-F179 HydrophobicContact CG-CE2 4.49Å; W122-F179 HydrophobicContact CH2-CZ 4.45Å; W122-F179 HydrophobicContact CZ3-CZ 4Å; Y126-F179 HydrophobicContact CE2-CD2 4.04Å; Y126-F179 WeakPolarHBondContact OH-CB 3.21Å; Y126-F179 WeakPolarHBondContact OH-CD2 3.32Å; A175-F179 PolarHBondContact O-N 3.03Å; A175-F179 VanDerWaalsContact O-N 3.09Å; E176-F179 PolarHBondContact O-N 3.39Å; E177-F179 PolarHBondContact O-N 3.44Å; F179-V183 HydrophobicContact CD2-CB 4.03Å; F179-V183 HydrophobicContact CD2-CG1 4.1Å; F179-V183 HydrophobicContact CD2-CG2 4.45Å; F179-V183 HydrophobicContact CE2-CG1 4.23Å; F179-V183 CarbonylContact O-C 3.43Å; F179-V183 WeakPolarHBondContact O-CA 3.5Å; F179-V183 VanDerWaalsContact O-CB 3.3Å; F179-V183 WeakPolarHBondContact O-CB 3.48Å; F179-V183 PolarHBondContact O-N 3.37Å; F179-L184 HydrophobicContact CD1-CD1 4.08Å; F179-L184 HydrophobicContact CE1-CD1 3.56Å; F179-L184 HydrophobicContact CE1-CG 4.26Å; F179-L184 HydrophobicContact CE2-CD1 4.41Å; F179-L184 HydrophobicContact CE2-CD2 4.41Å; F179-L184 HydrophobicContact CE2-CG 4.29Å; F179-L184 HydrophobicContact CZ-CD1 3.75Å; F179-L184 HydrophobicContact CZ-CD2 4.29Å; F179-L184 HydrophobicContact CZ-CG 4.11Å; F179-L184 PolarHBondContact O-N 2.91Å; F179-F354 HydrophobicContact CD2-CB 3.56Å; F179-F354 HydrophobicContact CD2-CG 4.26Å; F179-F354 HydrophobicContact CE2-CB 3.57Å; F179-F354 HydrophobicContact CE2-CD2 4.2Å; F179-F354 AromaticContact CE2-CG 3.87Å; F179-F354 HydrophobicContact CE2-CG 3.87Å; F179-F354 HydrophobicContact CG-CB 4.11Å; F179-F354 HydrophobicContact CZ-CB 4.13Å; F179-F354 HydrophobicContact CZ-CD2 4.44Å; F179-F354 HydrophobicContact CZ-CG 4.47Å; F179-I355 HydrophobicContact CB-CD1 4.31Å; F179-I355 HydrophobicContact CB-CG1 3.71Å; F179-I355 HydrophobicContact CD1-CD1 3.87Å; F179-I355 HydrophobicContact CD1-CG1 3.92Å; F179-I355 HydrophobicContact CG-CD1 4.44Å; F179-I355 HydrophobicContact CG-CG1 4.02Å |
| 180 | L | 94.1 | Very high | 90.7 | Very high | 53 Ų | 53 | 36.7 Ų | 36.7 | 28% | 0.277 | 21% | 0.207 | S | C | . | . | I | π-helix | trans | -75 | -36.4 | -170.6 | -62.1 | 179.5 | 0 | 0 | 0 | 113.1 | E176 L184 E185 L186 | E176-L180 HydrophobicContact CG-CD1 3.78Å; E176-L180 HydrophobicContact CG-CG 4.4Å; E176-L180 WeakPolarHBondContact O-CB 3.29Å; E176-L180 WeakPolarHBondContact O-CG 3.11Å; E176-L180 PolarHBondContact O-N 2.91Å; L180-L184 HydrophobicContact CD2-CD1 4.3Å; L180-E185 CarbonylContact O-C 3.41Å; L180-E185 WeakPolarHBondContact O-CA 3.39Å; L180-E185 PolarHBondContact O-N 3.38Å; L180-E185 VanDerWaalsContact O-N 3.15Å; L180-L186 HydrophobicContact CD2-CD2 4.17Å; L180-L186 PolarHBondContact O-N 3.04Å |
| 181 | R | 95 | Very high | 91.9 | Very high | 62 Ų | 62 | 31.1 Ų | 31.1 | 23% | 0.234 | 18% | 0.181 | C | C | . | . | I | π-helix | trans | -103.6 | -27 | -173.6 | -53.7 | -166.6 | 75.7 | -151.6 | 8.2 | 114.3 | W144 N145 T146 E177 E185 H187 | W144-R181 HydrophobicContact CB-CB 4.37Å; W144-R181 WeakPolarHBondContact O-CB 3.24Å; W144-R181 WeakPolarHBondContact O-CD 3.42Å; W144-R181 VanDerWaalsContact O-CZ 3.3Å; W144-R181 PolarHBondContact O-NE 3.03Å; W144-R181 PolarHBondContact O-NH1 3.19Å; N145-R181 PolarHBondContact O-NH1 2.67Å; T146-R181 VanDerWaalsContact CG2-CZ 3.47Å; T146-R181 VanDerWaalsContact N-NH1 3.18Å; E177-R181 WeakPolarHBondContact O-CA 3.39Å; E177-R181 VanDerWaalsContact O-CB 3.24Å; E177-R181 WeakPolarHBondContact O-CB 3.31Å; E177-R181 PolarHBondContact O-N 3.12Å; R181-E185 WeakPolarHBondContact O-CG 3.19Å; R181-H187 PolarHBondContact O-CE1 3.44Å |
| 182 | N | 96 | Very high | 92.5 | Very high | 22 Ų | 22 | 33.7 Ų | 33.7 | 12% | 0.118 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -100.2 | -52.7 | 173.8 | -172 | 46.6 | 0 | 0 | 0 | 112.1 | W144 E177 F178 K199 | W144-N182 HydrophobicContact CB-CB 4.2Å; W144-N182 HydrophobicContact CD2-CB 3.67Å; W144-N182 HydrophobicContact CE3-CB 4.28Å; W144-N182 HydrophobicContact CG-CB 3.6Å; E177-N182 PolarHBondContact O-N 2.98Å; F178-N182 HydrophobicContact CD2-CB 4.15Å; F178-N182 HydrophobicContact CE2-CB 4.49Å; F178-N182 WeakPolarHBondContact CE2-ND2 3.49Å; F178-N182 CarbonylContact O-C 3.57Å; F178-N182 WeakPolarHBondContact O-CA 3.45Å; F178-N182 VanDerWaalsContact O-CB 3.23Å; F178-N182 WeakPolarHBondContact O-CB 3.49Å; F178-N182 PolarHBondContact O-N 3.22Å; F178-N182 VanDerWaalsContact O-N 3.13Å; N182-K199 WeakPolarHBondContact O-CE 3.37Å; N182-K199 PolarHBondContact O-NZ 2.74Å |
| 183 | V | 96.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -70.9 | -44.6 | -174.2 | -179.7 | 0 | 0 | 0 | 0 | 111.9 | W122 F125 Y126 F178 F179 K199 L202 | W122-V183 HydrophobicContact CB-CG1 4.44Å; W122-V183 HydrophobicContact CG-CG1 4.33Å; F125-V183 HydrophobicContact CD1-CG1 4.38Å; F125-V183 HydrophobicContact CD1-CG2 3.78Å; F125-V183 HydrophobicContact CE1-CG2 3.75Å; Y126-V183 HydrophobicContact CD2-CG2 4.41Å; Y126-V183 HydrophobicContact CE2-CG1 4.32Å; Y126-V183 HydrophobicContact CE2-CG2 3.69Å; F178-V183 HydrophobicContact CD1-CG2 3.78Å; F178-V183 HydrophobicContact CE1-CG2 3.47Å; F178-V183 VanDerWaalsContact CE1-CG2 3.47Å; F178-V183 HydrophobicContact CZ-CG2 4.02Å; F178-V183 WeakPolarHBondContact O-CG2 3.39Å; F178-V183 PolarHBondContact O-N 2.74Å; F179-V183 HydrophobicContact CD2-CB 4.03Å; F179-V183 HydrophobicContact CD2-CG1 4.1Å; F179-V183 HydrophobicContact CD2-CG2 4.45Å; F179-V183 HydrophobicContact CE2-CG1 4.23Å; F179-V183 CarbonylContact O-C 3.43Å; F179-V183 WeakPolarHBondContact O-CA 3.5Å; F179-V183 VanDerWaalsContact O-CB 3.3Å; F179-V183 WeakPolarHBondContact O-CB 3.48Å; F179-V183 PolarHBondContact O-N 3.37Å; V183-K199 WeakPolarHBondContact O-CD 3.27Å; V183-K199 WeakPolarHBondContact O-CE 3.22Å; V183-K199 PolarHBondContact O-NZ 3.35Å; V183-L202 WeakPolarHBondContact O-CD1 3.47Å |
| 184 | L | 95.2 | Very high | 92.8 | Very high | 7 Ų | 7 | 45.3 Ų | 45.3 | 4% | 0.037 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -97.9 | -34.3 | 179 | -59.6 | -177.9 | 0 | 0 | 0 | 112.7 | W122 F179 L180 L186 N433 | W122-L184 HydrophobicContact CD2-CD2 4.4Å; W122-L184 HydrophobicContact CH2-CD2 4.44Å; W122-L184 HydrophobicContact CZ2-CD2 3.61Å; F179-L184 HydrophobicContact CD1-CD1 4.08Å; F179-L184 HydrophobicContact CE1-CD1 3.56Å; F179-L184 HydrophobicContact CE1-CG 4.26Å; F179-L184 HydrophobicContact CE2-CD1 4.41Å; F179-L184 HydrophobicContact CE2-CD2 4.41Å; F179-L184 HydrophobicContact CE2-CG 4.29Å; F179-L184 HydrophobicContact CZ-CD1 3.75Å; F179-L184 HydrophobicContact CZ-CD2 4.29Å; F179-L184 HydrophobicContact CZ-CG 4.11Å; F179-L184 PolarHBondContact O-N 2.91Å; L180-L184 HydrophobicContact CD2-CD1 4.3Å; L184-L186 HydrophobicContact CB-CB 4.15Å; L184-L186 PolarHBondContact O-N 3.17Å; L184-N433 HydrophobicContact CD1-CB 4.15Å |
| 185 | E | 95.4 | Very high | 92.8 | Very high | 32 Ų | 32 | 47.8 Ų | 47.8 | 15% | 0.15 | 25% | 0.252 | C | S | . | . | trans | 54.7 | 35.2 | -164.3 | -48.5 | -165 | 130.4 | 0 | 0 | 112.7 | L180 R181 H187 K188 K199 Y430 | L180-E185 CarbonylContact O-C 3.41Å; L180-E185 WeakPolarHBondContact O-CA 3.39Å; L180-E185 PolarHBondContact O-N 3.38Å; L180-E185 VanDerWaalsContact O-N 3.15Å; R181-E185 WeakPolarHBondContact O-CG 3.19Å; E185-H187 PolarHBondContact O-N 2.81Å; E185-K188 HydrophobicContact CB-CD 4.05Å; E185-K188 HydrophobicContact CB-CG 4.37Å; E185-K188 WeakPolarHBondContact O-CB 3.33Å; E185-K188 PolarHBondContact O-N 3.46Å; E185-K188 IonicContact OE1-NZ 2.67Å; E185-K188 PolarHBondContact OE1-NZ 2.91Å; E185-K188 WeakPolarHBondContact OE2-CE 3.48Å; E185-K188 IonicContact OE2-NZ 2.76Å; E185-K188 PolarHBondContact OE2-NZ 3.46Å; E185-K199 HydrophobicContact CG-CD 4.35Å; E185-Y430 HydrophobicContact CB-CD1 3.77Å; E185-Y430 HydrophobicContact CB-CE1 4.03Å; E185-Y430 HydrophobicContact CB-CG 4.48Å; E185-Y430 HydrophobicContact CG-CE1 4.42Å; E185-Y430 WeakPolarHBondContact OE2-CE1 3.45Å | ||
| 186 | L | 92.5 | Very high | 92.9 | Very high | 28 Ų | 28 | 49.4 Ų | 49.4 | 15% | 0.147 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -55 | -32.6 | -173 | -173.8 | 65.2 | 0 | 0 | 0 | 113.2 | L180 L184 K188 S189 Y430 N433 Y434 | L180-L186 HydrophobicContact CD2-CD2 4.17Å; L180-L186 PolarHBondContact O-N 3.04Å; L184-L186 HydrophobicContact CB-CB 4.15Å; L184-L186 PolarHBondContact O-N 3.17Å; L186-K188 PolarHBondContact O-N 3.29Å; L186-K188 VanDerWaalsContact O-N 3.08Å; L186-S189 PolarHBondContact O-N 3.17Å; L186-Y430 VanDerWaalsContact CD1-O 3.28Å; L186-Y430 WeakPolarHBondContact CD1-O 3.32Å; L186-N433 HydrophobicContact CD1-CB 4.47Å; L186-Y434 HydrophobicContact CD1-CD2 4.25Å; L186-Y434 HydrophobicContact CD1-CE2 3.61Å |
| 187 | H | 91.1 | Very high | 93 | Very high | 97 Ų | 97 | 53 Ų | 53 | 45% | 0.449 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -61.3 | -13.4 | 176.5 | 66.9 | -82.6 | 0 | 0 | 0 | 114.7 | R181 E185 | R181-H187 PolarHBondContact O-CE1 3.44Å; E185-H187 PolarHBondContact O-N 2.81Å |
| 188 | K | 92.9 | Very high | 93.2 | Very high | 95 Ų | 95 | 56 Ų | 56 | 41% | 0.413 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -88.4 | -2.1 | 174.6 | -60.5 | -176.7 | -174.1 | 170.6 | 0 | 113.2 | E185 L186 Y430 | E185-K188 HydrophobicContact CB-CD 4.05Å; E185-K188 HydrophobicContact CB-CG 4.37Å; E185-K188 WeakPolarHBondContact O-CB 3.33Å; E185-K188 PolarHBondContact O-N 3.46Å; E185-K188 IonicContact OE1-NZ 2.67Å; E185-K188 PolarHBondContact OE1-NZ 2.91Å; E185-K188 WeakPolarHBondContact OE2-CE 3.48Å; E185-K188 IonicContact OE2-NZ 2.76Å; E185-K188 PolarHBondContact OE2-NZ 3.46Å; L186-K188 PolarHBondContact O-N 3.29Å; L186-K188 VanDerWaalsContact O-N 3.08Å; K188-Y430 HydrophobicContact CB-CD2 3.58Å; K188-Y430 HydrophobicContact CB-CE2 4.04Å; K188-Y430 HydrophobicContact CB-CG 4Å; K188-Y430 HydrophobicContact CD-CD2 4.21Å; K188-Y430 HydrophobicContact CD-CE1 4.37Å; K188-Y430 HydrophobicContact CD-CE2 3.88Å |
| 189 | S | 92.6 | Very high | 93.2 | Very high | 17 Ų | 17 | 56.1 Ų | 56.1 | 12% | 0.119 | 30% | 0.302 | C | S | . | . | trans | -110.2 | 137.6 | 178.7 | 170.1 | 0 | 0 | 0 | 0 | 110.6 | L186 G191 D194 G431 | L186-S189 PolarHBondContact O-N 3.17Å; S189-G191 VanDerWaalsContact C-N 3.29Å; S189-G191 PolarHBondContact OG-N 3.15Å; S189-G191 PolarHBondContact OG-O 3.28Å; S189-D194 WeakPolarHBondContact CA-O 3.38Å; S189-D194 WeakPolarHBondContact CB-O 3.45Å; S189-D194 PolarHBondContact OG-O 3.49Å; S189-G431 VanDerWaalsContact OG-CA 3.29Å; S189-G431 WeakPolarHBondContact OG-CA 3.18Å | ||
| 190 | G | 89.2 | Confident | 93.3 | Very high | 70 Ų | 70 | 63.6 Ų | 63.6 | 72% | 0.722 | 33% | 0.33 | S | S | * | . | trans | -79.9 | -4.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | D194 | G190-D194 PolarHBondContact N-O 2.79Å; G190-D194 PolarHBondContact N-OD2 2.91Å | ||
| 191 | G | 89.3 | Confident | 93.4 | Very high | 14 Ų | 14 | 63.1 Ų | 63.1 | 14% | 0.144 | 33% | 0.326 | C | S | . | . | B | Isolated β-bridge | trans | 131.9 | -162.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S189 E193 D194 M195 | S189-G191 VanDerWaalsContact C-N 3.29Å; S189-G191 PolarHBondContact OG-N 3.15Å; S189-G191 PolarHBondContact OG-O 3.28Å; G191-E193 VanDerWaalsContact C-N 3.27Å; G191-E193 PolarHBondContact O-N 2.95Å; G191-D194 CarbonylContact O-C 3.36Å; G191-D194 PolarHBondContact O-N 3.34Å; G191-D194 VanDerWaalsContact O-O 3.11Å; G191-M195 PolarHBondContact O-N 3.27Å |
| 192 | I | 88.2 | Confident | 93.6 | Very high | 82 Ų | 82 | 60.3 Ų | 60.3 | 42% | 0.421 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -27 | -177.7 | -162.8 | 167 | 0 | 0 | 0 | 113.5 | M195 | I192-M195 WeakPolarHBondContact O-CG 3.32Š|
| 193 | E | 89.8 | Confident | 93.7 | Very high | 198 Ų | 198 | 61.9 Ų | 61.9 | 93% | 0.925 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -21.1 | 177.3 | -60.6 | -175.8 | 174.1 | 0 | 0 | 112.5 | G191 | G191-E193 VanDerWaalsContact C-N 3.27Å; G191-E193 PolarHBondContact O-N 2.95Å |
| 194 | D | 91.3 | Very high | 93.7 | Very high | 91 Ų | 91 | 66.7 Ų | 66.7 | 49% | 0.487 | 35% | 0.349 | S | S | . | . | B | Isolated β-bridge | trans | -131.4 | 73.6 | 178.4 | 179.6 | 28.6 | 0 | 0 | 0 | 110.2 | S189 G190 G191 G196 | S189-D194 WeakPolarHBondContact CA-O 3.38Å; S189-D194 WeakPolarHBondContact CB-O 3.45Å; S189-D194 PolarHBondContact OG-O 3.49Å; G190-D194 PolarHBondContact N-O 2.79Å; G190-D194 PolarHBondContact N-OD2 2.91Å; G191-D194 CarbonylContact O-C 3.36Å; G191-D194 PolarHBondContact O-N 3.34Å; G191-D194 VanDerWaalsContact O-O 3.11Å; D194-G196 PolarHBondContact O-N 3.09Å |
| 195 | M | 91.5 | Very high | 93.9 | Very high | 58 Ų | 58 | 67.1 Ų | 67.1 | 29% | 0.286 | 35% | 0.353 | S | S | . | . | trans | -70.7 | -12.2 | -176.6 | -67.4 | -170.8 | -70.9 | 0 | 0 | 113.8 | G191 I192 T429 Y430 G431 L435 | G191-M195 PolarHBondContact O-N 3.27Å; I192-M195 WeakPolarHBondContact O-CG 3.32Å; M195-T429 WeakPolarHBondContact O-CB 3.35Å; M195-Y430 PolarHBondContact O-N 3.09Å; M195-G431 PolarHBondContact O-N 2.76Å; M195-L435 HydrophobicContact SD-CB 4.38Å; M195-L435 HydrophobicContact SD-CD2 4.27Å | ||
| 196 | G | 93.3 | Very high | 94 | Very high | 36 Ų | 36 | 65.6 Ų | 65.6 | 37% | 0.371 | 35% | 0.346 | S | S | . | . | trans | 68.1 | -156.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | D194 | D194-G196 PolarHBondContact O-N 3.09Š| ||
| 197 | Q | 95.2 | Very high | 94.3 | Very high | 140 Ų | 140 | 69.9 Ų | 69.9 | 65% | 0.654 | 36% | 0.363 | S | S | * | . | trans | -90 | 162.6 | -174.2 | -65.1 | -178 | -12 | 0 | 0 | 112.4 | K199 T429 Y430 | Q197-K199 PolarHBondContact O-N 3.44Å; Q197-T429 VanDerWaalsContact O-CA 3.23Å; Q197-T429 WeakPolarHBondContact O-CA 3.07Å; Q197-Y430 HydrophobicContact CB-CD2 4.49Å; Q197-Y430 HydrophobicContact CB-CE2 3.78Å; Q197-Y430 HydrophobicContact CG-CE2 4.48Å; Q197-Y430 PolarHBondContact O-N 3.45Å; Q197-Y430 VanDerWaalsContact O-N 3.13Å | ||
| 198 | I | 96.7 | Very high | 94.6 | Very high | 69 Ų | 69 | 70.2 Ų | 70.2 | 35% | 0.354 | 36% | 0.364 | S | S | . | . | B | Isolated β-bridge | trans | -68.1 | 126.3 | 171.9 | -66.4 | 170.4 | 0 | 0 | 0 | 109.2 | W200 L203 L425 I428 T429 | I198-W200 PolarHBondContact O-N 3.24Å; I198-L203 HydrophobicContact CG2-CB 4.05Å; I198-L203 HydrophobicContact CG2-CD1 4.3Å; I198-L203 HydrophobicContact CG2-CD2 4.44Å; I198-L425 HydrophobicContact CD1-CB 4.05Å; I198-L425 HydrophobicContact CD1-CD1 4.41Å; I198-I428 HydrophobicContact CG2-CD1 3.57Å; I198-I428 HydrophobicContact CG2-CG1 3.96Å; I198-T429 HydrophobicContact CG1-CG2 4Å |
| 199 | K | 96.4 | Very high | 94.8 | Very high | 2 Ų | 2 | 65.7 Ų | 65.7 | 1% | 0.009 | 34% | 0.344 | C | S | . | . | trans | -73.4 | 112.7 | 173.9 | -176.9 | 178.2 | 165.5 | -165.4 | 0 | 110.4 | N182 V183 E185 Q197 Q201 L202 L203 I428 Y430 | N182-K199 WeakPolarHBondContact O-CE 3.37Å; N182-K199 PolarHBondContact O-NZ 2.74Å; V183-K199 WeakPolarHBondContact O-CD 3.27Å; V183-K199 WeakPolarHBondContact O-CE 3.22Å; V183-K199 PolarHBondContact O-NZ 3.35Å; E185-K199 HydrophobicContact CG-CD 4.35Å; Q197-K199 PolarHBondContact O-N 3.44Å; K199-Q201 VanDerWaalsContact C-N 3.34Å; K199-Q201 VanDerWaalsContact CG-OE1 3.31Å; K199-Q201 PolarHBondContact O-N 3.02Å; K199-L202 HydrophobicContact CB-CB 4.38Å; K199-L202 HydrophobicContact CB-CD1 4.4Å; K199-L202 HydrophobicContact CB-CG 4.41Å; K199-L202 HydrophobicContact CD-CD1 4.01Å; K199-L202 HydrophobicContact CD-CG 3.86Å; K199-L202 HydrophobicContact CG-CG 4.28Å; K199-L202 PolarHBondContact O-N 3.07Å; K199-L202 VanDerWaalsContact O-N 3.1Å; K199-L203 PolarHBondContact O-N 3.31Å; K199-I428 PolarHBondContact N-O 2.96Å; K199-Y430 HydrophobicContact CB-CD1 4.43Å; K199-Y430 HydrophobicContact CB-CE1 4.22Å | ||
| 200 | W | 96.8 | Very high | 95 | Very high | 163 Ų | 163 | 65.3 Ų | 65.3 | 62% | 0.617 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -62.9 | -33.4 | -171.1 | 76.2 | -93.9 | 0 | 0 | 0 | 114.2 | I198 L203 L204 | I198-W200 PolarHBondContact O-N 3.24Å; W200-L203 WeakPolarHBondContact O-CB 3.49Å; W200-L203 PolarHBondContact O-N 3.07Å; W200-L204 HydrophobicContact CE3-CD1 3.71Å; W200-L204 HydrophobicContact CE3-CG 4.35Å; W200-L204 HydrophobicContact CZ3-CD1 3.53Å; W200-L204 PolarHBondContact O-N 3.14Å; W200-L204 VanDerWaalsContact O-N 3.15Å |
| 201 | Q | 97.3 | Very high | 95.3 | Very high | 42 Ų | 42 | 65.1 Ų | 65.1 | 20% | 0.196 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -69.1 | -36.7 | 177.3 | -55.8 | 89 | -20.1 | 0 | 0 | 111.6 | F125 K199 L204 C205 | F125-Q201 HydrophobicContact CD2-CB 4.02Å; F125-Q201 HydrophobicContact CE2-CB 3.61Å; F125-Q201 HydrophobicContact CE2-CG 4.08Å; K199-Q201 VanDerWaalsContact C-N 3.34Å; K199-Q201 VanDerWaalsContact CG-OE1 3.31Å; K199-Q201 PolarHBondContact O-N 3.02Å; Q201-L204 PolarHBondContact O-N 3.49Å; Q201-C205 PolarHBondContact O-N 2.99Å; Q201-C205 VanDerWaalsContact O-N 3.09Å; Q201-C205 PolarHBondContact O-SG 3.22Å |
| 202 | L | 97.7 | Very high | 95.6 | Very high | 3 Ų | 3 | 66.9 Ų | 66.9 | 2% | 0.016 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -72 | -32.9 | 174.8 | -67.7 | -174.7 | 0 | 0 | 0 | 111.6 | F125 V183 K199 L204 C205 L206 I428 | F125-L202 HydrophobicContact CB-CD2 4.25Å; F125-L202 HydrophobicContact CD2-CD2 4.49Å; F125-L202 HydrophobicContact CG-CD2 4.48Å; V183-L202 WeakPolarHBondContact O-CD1 3.47Å; K199-L202 HydrophobicContact CB-CB 4.38Å; K199-L202 HydrophobicContact CB-CD1 4.4Å; K199-L202 HydrophobicContact CB-CG 4.41Å; K199-L202 HydrophobicContact CD-CD1 4.01Å; K199-L202 HydrophobicContact CD-CG 3.86Å; K199-L202 HydrophobicContact CG-CG 4.28Å; K199-L202 PolarHBondContact O-N 3.07Å; K199-L202 VanDerWaalsContact O-N 3.1Å; L202-L204 VanDerWaalsContact C-N 3.32Å; L202-L204 PolarHBondContact O-N 2.86Å; L202-C205 PolarHBondContact O-N 3.38Å; L202-L206 VanDerWaalsContact O-CB 3.22Å; L202-L206 WeakPolarHBondContact O-CB 3.18Å; L202-L206 PolarHBondContact O-N 3.24Å; L202-I428 HydrophobicContact CB-CB 4.12Å; L202-I428 HydrophobicContact CB-CG2 4.14Å |
| 203 | L | 98 | Very high | 95.9 | Very high | 56 Ų | 56 | 63 Ų | 63 | 29% | 0.293 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -56.8 | -45.7 | 171.4 | -179.3 | 69.2 | 0 | 0 | 0 | 111.6 | I198 K199 W200 L206 F207 F421 L425 I428 | I198-L203 HydrophobicContact CG2-CB 4.05Å; I198-L203 HydrophobicContact CG2-CD1 4.3Å; I198-L203 HydrophobicContact CG2-CD2 4.44Å; K199-L203 PolarHBondContact O-N 3.31Å; W200-L203 WeakPolarHBondContact O-CB 3.49Å; W200-L203 PolarHBondContact O-N 3.07Å; L203-L206 PolarHBondContact O-N 3.21Å; L203-F207 WeakPolarHBondContact O-CB 3.29Å; L203-F207 PolarHBondContact O-N 2.94Å; L203-F421 HydrophobicContact CD1-CE1 4.46Å; L203-F421 HydrophobicContact CD1-CE2 4.22Å; L203-F421 HydrophobicContact CD1-CZ 3.61Å; L203-F421 HydrophobicContact CG-CZ 4.5Å; L203-L425 HydrophobicContact CD1-CD2 3.37Å; L203-I428 HydrophobicContact CB-CD1 3.85Å; L203-I428 HydrophobicContact CD1-CD1 3.75Å; L203-I428 HydrophobicContact CG-CD1 4.45Å |
| 204 | L | 98.1 | Very high | 96.1 | Very high | 100 Ų | 100 | 56.2 Ų | 56.2 | 52% | 0.524 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.4 | -43.3 | 176.3 | -66.4 | 179.6 | 0 | 0 | 0 | 112.1 | W200 Q201 L202 F207 F208 | W200-L204 HydrophobicContact CE3-CD1 3.71Å; W200-L204 HydrophobicContact CE3-CG 4.35Å; W200-L204 HydrophobicContact CZ3-CD1 3.53Å; W200-L204 PolarHBondContact O-N 3.14Å; W200-L204 VanDerWaalsContact O-N 3.15Å; Q201-L204 PolarHBondContact O-N 3.49Å; L202-L204 VanDerWaalsContact C-N 3.32Å; L202-L204 PolarHBondContact O-N 2.86Å; L204-F207 PolarHBondContact O-N 3.19Å; L204-F208 PolarHBondContact O-N 3.22Å |
| 205 | C | 98.4 | Very high | 96.3 | Very high | 17 Ų | 17 | 56.7 Ų | 56.7 | 12% | 0.115 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.5 | -48.3 | 176.3 | -66.5 | 0 | 0 | 0 | 0 | 110.9 | L124 Q201 L202 F207 F208 I209 | L124-C205 HydrophobicContact CB-CB 4.49Å; L124-C205 HydrophobicContact CD2-CB 3.94Å; L124-C205 HydrophobicContact CG-CB 4.42Å; Q201-C205 PolarHBondContact O-N 2.99Å; Q201-C205 VanDerWaalsContact O-N 3.09Å; Q201-C205 PolarHBondContact O-SG 3.22Å; L202-C205 PolarHBondContact O-N 3.38Å; C205-F207 PolarHBondContact O-N 3.27Å; C205-F208 WeakPolarHBondContact O-CB 3.26Å; C205-F208 PolarHBondContact O-N 3.42Å; C205-F208 VanDerWaalsContact O-N 3.13Å; C205-I209 WeakPolarHBondContact O-CG1 3.04Å; C205-I209 PolarHBondContact O-N 2.91Å |
| 206 | L | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.3 | -45.2 | 179.2 | -173.6 | 69.2 | 0 | 0 | 0 | 111.5 | N117 S121 L202 L203 F208 I209 Y210 F421 I428 | N117-L206 HydrophobicContact CB-CD1 3.94Å; S121-L206 WeakPolarHBondContact OG-CA 3.48Å; S121-L206 WeakPolarHBondContact OG-CD1 3.14Å; S121-L206 PolarHBondContact OG-N 2.97Å; L202-L206 VanDerWaalsContact O-CB 3.22Å; L202-L206 WeakPolarHBondContact O-CB 3.18Å; L202-L206 PolarHBondContact O-N 3.24Å; L203-L206 PolarHBondContact O-N 3.21Å; L206-F208 VanDerWaalsContact C-N 3.3Å; L206-F208 PolarHBondContact O-N 3.48Å; L206-I209 PolarHBondContact O-N 3.49Å; L206-Y210 HydrophobicContact CD1-CD2 4.08Å; L206-Y210 HydrophobicContact CD1-CE2 3.68Å; L206-Y210 HydrophobicContact CD2-CE2 4.36Å; L206-Y210 HydrophobicContact CG-CD2 3.96Å; L206-Y210 HydrophobicContact CG-CE2 3.83Å; L206-Y210 VanDerWaalsContact O-CD2 3.31Å; L206-Y210 WeakPolarHBondContact O-CD2 3.04Å; L206-Y210 PolarHBondContact O-N 2.88Å; L206-F421 HydrophobicContact CB-CE2 4.31Å; L206-F421 HydrophobicContact CD2-CD2 4.07Å; L206-F421 HydrophobicContact CD2-CE2 4.04Å; L206-F421 HydrophobicContact CG-CD2 4.07Å; L206-F421 HydrophobicContact CG-CE2 4.08Å; L206-I428 HydrophobicContact CD2-CD1 3.95Å; L206-I428 HydrophobicContact CD2-CG1 4.42Å; L206-I428 HydrophobicContact CD2-CG2 4.03Å |
| 207 | F | 98 | Very high | 96.3 | Very high | 117 Ų | 117 | 52.6 Ų | 52.6 | 51% | 0.513 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -57.3 | -44.8 | 175.1 | 176 | -100.7 | 0 | 0 | 0 | 111.4 | L203 L204 C205 Y210 L211 F421 | L203-F207 WeakPolarHBondContact O-CB 3.29Å; L203-F207 PolarHBondContact O-N 2.94Å; L204-F207 PolarHBondContact O-N 3.19Å; C205-F207 PolarHBondContact O-N 3.27Å; F207-Y210 PolarHBondContact O-N 2.64Å; F207-L211 WeakPolarHBondContact O-CB 3.46Å; F207-L211 PolarHBondContact O-N 3.44Å; F207-F421 HydrophobicContact CB-CE2 3.82Å; F207-F421 HydrophobicContact CB-CZ 4.11Å; F207-F421 HydrophobicContact CD2-CE2 4.44Å; F207-F421 HydrophobicContact CD2-CZ 4.33Å |
| 208 | F | 97.8 | Very high | 96.2 | Very high | 104 Ų | 104 | 49.3 Ų | 49.3 | 46% | 0.456 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.9 | -38.4 | 178 | -169.5 | -108.8 | 0 | 0 | 0 | 112.8 | L124 L204 C205 L206 L211 I212 | L124-F208 HydrophobicContact CD1-CD1 4.4Å; L124-F208 HydrophobicContact CD2-CB 4.15Å; L124-F208 HydrophobicContact CD2-CD1 3.65Å; L124-F208 HydrophobicContact CD2-CG 4.35Å; L204-F208 PolarHBondContact O-N 3.22Å; C205-F208 WeakPolarHBondContact O-CB 3.26Å; C205-F208 PolarHBondContact O-N 3.42Å; C205-F208 VanDerWaalsContact O-N 3.13Å; L206-F208 VanDerWaalsContact C-N 3.3Å; L206-F208 PolarHBondContact O-N 3.48Å; F208-L211 HydrophobicContact CD2-CD2 4.48Å; F208-L211 WeakPolarHBondContact O-CB 3.43Å; F208-L211 PolarHBondContact O-N 3.46Å; F208-I212 HydrophobicContact CD1-CD1 3.6Å; F208-I212 HydrophobicContact CD1-CG1 4.35Å; F208-I212 HydrophobicContact CE1-CD1 3.34Å; F208-I212 HydrophobicContact CE1-CG1 4.11Å; F208-I212 HydrophobicContact CG-CD1 4.48Å; F208-I212 HydrophobicContact CZ-CD1 4Å; F208-I212 HydrophobicContact CZ-CG1 4.34Å; F208-I212 WeakPolarHBondContact O-CG1 3.46Å; F208-I212 PolarHBondContact O-N 3.15Å |
| 209 | I | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.2 | -50.1 | 173.3 | -65.8 | -51.9 | 0 | 0 | 0 | 110.8 | N117 I120 L124 C205 L206 L211 I212 V213 L379 | N117-I209 HydrophobicContact CB-CG2 4.37Å; I120-I209 HydrophobicContact CG2-CD1 3.56Å; I120-I209 HydrophobicContact CG2-CG1 3.94Å; I120-I209 HydrophobicContact CG2-CG2 4.17Å; L124-I209 HydrophobicContact CB-CD1 4.27Å; L124-I209 HydrophobicContact CD2-CD1 3.82Å; L124-I209 HydrophobicContact CD2-CG1 4.12Å; C205-I209 WeakPolarHBondContact O-CG1 3.04Å; C205-I209 PolarHBondContact O-N 2.91Å; L206-I209 PolarHBondContact O-N 3.49Å; I209-L211 PolarHBondContact O-N 3.25Å; I209-I212 PolarHBondContact O-N 2.95Å; I209-V213 HydrophobicContact CG2-CG2 4.16Å; I209-V213 WeakPolarHBondContact O-CB 3.41Å; I209-V213 WeakPolarHBondContact O-CG2 3.4Å; I209-V213 PolarHBondContact O-N 3.3Å; I209-L379 HydrophobicContact CD1-CD1 3.48Å; I209-L379 VanDerWaalsContact CD1-CD1 3.48Å |
| 210 | Y | 96.5 | Very high | 95.6 | Very high | 10 Ų | 10 | 51 Ų | 51 | 4% | 0.039 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.4 | -33.5 | 176.9 | -84.1 | -74.1 | 0 | 0 | 0 | 112.9 | G113 N117 L206 F207 Y214 M417 M420 F421 S424 | G113-Y210 PolarHBondContact O-OH 3.39Å; N117-Y210 HydrophobicContact CB-CE2 4.29Å; N117-Y210 WeakPolarHBondContact ND2-CE1 3.22Å; N117-Y210 VanDerWaalsContact ND2-CZ 3.35Å; N117-Y210 PolarHBondContact ND2-OH 3.12Å; L206-Y210 HydrophobicContact CD1-CD2 4.08Å; L206-Y210 HydrophobicContact CD1-CE2 3.68Å; L206-Y210 HydrophobicContact CD2-CE2 4.36Å; L206-Y210 HydrophobicContact CG-CD2 3.96Å; L206-Y210 HydrophobicContact CG-CE2 3.83Å; L206-Y210 VanDerWaalsContact O-CD2 3.31Å; L206-Y210 WeakPolarHBondContact O-CD2 3.04Å; L206-Y210 PolarHBondContact O-N 2.88Å; F207-Y210 PolarHBondContact O-N 2.64Å; Y210-Y214 VanDerWaalsContact O-CB 3.28Å; Y210-Y214 WeakPolarHBondContact O-CB 3.18Å; Y210-Y214 PolarHBondContact O-N 2.91Å; Y210-M417 HydrophobicContact CD1-SD 3.86Å; Y210-M417 HydrophobicContact CE1-SD 4.35Å; Y210-M420 HydrophobicContact CE1-CB 3.61Å; Y210-M420 PolarHBondContact OH-O 2.72Å; Y210-F421 HydrophobicContact CD2-CB 3.94Å; Y210-F421 AromaticContact CD2-CD2 3.65Å; Y210-F421 HydrophobicContact CD2-CD2 3.65Å; Y210-F421 HydrophobicContact CD2-CG 4.29Å; Y210-F421 HydrophobicContact CE2-CB 4.09Å; Y210-F421 HydrophobicContact CE2-CD2 4.09Å; Y210-F421 HydrophobicContact CG-CB 4.22Å; Y210-F421 HydrophobicContact CG-CD2 4.45Å; Y210-S424 PolarHBondContact OH-OG 2.88Å |
| 211 | L | 95.6 | Very high | 95.3 | Very high | 65 Ų | 65 | 43.2 Ų | 43.2 | 34% | 0.34 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65.4 | -46.9 | 175.1 | -171.1 | 67.9 | 0 | 0 | 0 | 111.8 | F207 F208 I209 V213 Y214 F215 | F207-L211 WeakPolarHBondContact O-CB 3.46Å; F207-L211 PolarHBondContact O-N 3.44Å; F208-L211 HydrophobicContact CD2-CD2 4.48Å; F208-L211 WeakPolarHBondContact O-CB 3.43Å; F208-L211 PolarHBondContact O-N 3.46Å; I209-L211 PolarHBondContact O-N 3.25Å; L211-V213 VanDerWaalsContact C-N 3.34Å; L211-Y214 PolarHBondContact O-N 3.08Å; L211-F215 HydrophobicContact CD1-CD2 4.18Å; L211-F215 HydrophobicContact CD1-CE2 3.54Å; L211-F215 HydrophobicContact CD1-CZ 4.35Å; L211-F215 HydrophobicContact CG-CD2 4.11Å; L211-F215 HydrophobicContact CG-CE2 3.79Å; L211-F215 WeakPolarHBondContact O-CD2 3.23Å; L211-F215 PolarHBondContact O-N 3.05Å |
| 212 | I | 95.8 | Very high | 95 | Very high | 52 Ų | 52 | 49 Ų | 49 | 27% | 0.267 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.2 | -48.6 | 175.1 | -69.7 | 165.2 | 0 | 0 | 0 | 110.1 | F208 I209 Y214 F215 A216 I383 F387 | F208-I212 HydrophobicContact CD1-CD1 3.6Å; F208-I212 HydrophobicContact CD1-CG1 4.35Å; F208-I212 HydrophobicContact CE1-CD1 3.34Å; F208-I212 HydrophobicContact CE1-CG1 4.11Å; F208-I212 HydrophobicContact CG-CD1 4.48Å; F208-I212 HydrophobicContact CZ-CD1 4Å; F208-I212 HydrophobicContact CZ-CG1 4.34Å; F208-I212 WeakPolarHBondContact O-CG1 3.46Å; F208-I212 PolarHBondContact O-N 3.15Å; I209-I212 PolarHBondContact O-N 2.95Å; I212-Y214 PolarHBondContact O-N 2.76Å; I212-F215 PolarHBondContact O-N 3.38Å; I212-A216 WeakPolarHBondContact O-CB 3.48Å; I212-A216 PolarHBondContact O-N 2.92Å; I212-I383 HydrophobicContact CD1-CD1 4.5Å; I212-I383 HydrophobicContact CG2-CD1 4.11Å; I212-F387 HydrophobicContact CG2-CZ 4.17Å |
| 213 | V | 95.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.8 | -46.2 | 179.6 | 172.1 | 0 | 0 | 0 | 0 | 111.6 | I209 L211 F215 A216 I217 T386 F387 L390 M417 | I209-V213 HydrophobicContact CG2-CG2 4.16Å; I209-V213 WeakPolarHBondContact O-CB 3.41Å; I209-V213 WeakPolarHBondContact O-CG2 3.4Å; I209-V213 PolarHBondContact O-N 3.3Å; L211-V213 VanDerWaalsContact C-N 3.34Å; V213-F215 PolarHBondContact O-N 2.52Å; V213-A216 PolarHBondContact O-N 3.35Å; V213-I217 HydrophobicContact CG1-CD1 3.78Å; V213-I217 WeakPolarHBondContact O-CG1 3.41Å; V213-I217 PolarHBondContact O-N 2.8Å; V213-I217 VanDerWaalsContact O-N 3.1Å; V213-T386 HydrophobicContact CB-CG2 4.46Å; V213-T386 HydrophobicContact CG1-CG2 3.84Å; V213-T386 HydrophobicContact CG2-CG2 3.68Å; V213-F387 VanDerWaalsContact CA-CE1 3.43Å; V213-F387 HydrophobicContact CB-CD1 4.18Å; V213-F387 HydrophobicContact CB-CE1 3.88Å; V213-F387 HydrophobicContact CG1-CD1 4.01Å; V213-F387 HydrophobicContact CG1-CE1 4.22Å; V213-F387 HydrophobicContact CG2-CD1 3.92Å; V213-F387 HydrophobicContact CG2-CE1 3.53Å; V213-L390 HydrophobicContact CG1-CD1 3.3Å; V213-M417 HydrophobicContact CG1-SD 3.94Å |
| 214 | Y | 94 | Very high | 94.6 | Very high | 56 Ų | 56 | 47.2 Ų | 47.2 | 22% | 0.22 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -54.7 | -53.6 | 176.7 | 171.8 | -101.4 | 0 | 0 | 0 | 111.6 | Y210 L211 I212 A216 I217 W218 T413 M417 | Y210-Y214 VanDerWaalsContact O-CB 3.28Å; Y210-Y214 WeakPolarHBondContact O-CB 3.18Å; Y210-Y214 PolarHBondContact O-N 2.91Å; L211-Y214 PolarHBondContact O-N 3.08Å; I212-Y214 PolarHBondContact O-N 2.76Å; Y214-A216 VanDerWaalsContact C-N 3.25Å; Y214-A216 PolarHBondContact O-N 3.46Å; Y214-I217 PolarHBondContact O-N 2.98Å; Y214-W218 HydrophobicContact CE1-CB 4.49Å; Y214-W218 AromaticContact CE1-CE3 3.8Å; Y214-W218 HydrophobicContact CE1-CE3 3.8Å; Y214-W218 HydrophobicContact CE1-CZ3 4.45Å; Y214-W218 HydrophobicContact CE2-CB 4.24Å; Y214-W218 VanDerWaalsContact O-CB 3.26Å; Y214-W218 WeakPolarHBondContact O-CB 3.33Å; Y214-W218 PolarHBondContact O-N 3.28Å; Y214-T413 HydrophobicContact CD2-CG2 3.92Å; Y214-T413 HydrophobicContact CE2-CG2 4.14Å; Y214-M417 HydrophobicContact CD2-CG 4.15Å |
| 215 | F | 93.8 | Very high | 94.4 | Very high | 101 Ų | 101 | 42.5 Ų | 42.5 | 44% | 0.443 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -66.9 | -26.9 | -178.9 | -73.6 | -61 | 0 | 0 | 0 | 113.3 | L211 I212 V213 W218 | L211-F215 HydrophobicContact CD1-CD2 4.18Å; L211-F215 HydrophobicContact CD1-CE2 3.54Å; L211-F215 HydrophobicContact CD1-CZ 4.35Å; L211-F215 HydrophobicContact CG-CD2 4.11Å; L211-F215 HydrophobicContact CG-CE2 3.79Å; L211-F215 WeakPolarHBondContact O-CD2 3.23Å; L211-F215 PolarHBondContact O-N 3.05Å; I212-F215 PolarHBondContact O-N 3.38Å; V213-F215 PolarHBondContact O-N 2.52Å; F215-W218 HydrophobicContact CD1-CD2 4.14Å; F215-W218 AromaticContact CD1-CE3 3.94Å; F215-W218 HydrophobicContact CD1-CE3 3.94Å; F215-W218 AromaticContact CD1-CH2 3.82Å; F215-W218 HydrophobicContact CD1-CH2 3.82Å; F215-W218 HydrophobicContact CD1-CZ2 4.01Å; F215-W218 AromaticContact CD1-CZ3 3.77Å; F215-W218 HydrophobicContact CD1-CZ3 3.77Å; F215-W218 HydrophobicContact CE1-CE3 4.16Å; F215-W218 AromaticContact CE1-CH2 3.91Å; F215-W218 HydrophobicContact CE1-CH2 3.91Å; F215-W218 AromaticContact CE1-CZ3 3.69Å; F215-W218 HydrophobicContact CE1-CZ3 3.69Å; F215-W218 PolarHBondContact O-NE1 3.49Å |
| 216 | A | 93.7 | Very high | 94.3 | Very high | 8 Ų | 8 | 47.5 Ų | 47.5 | 7% | 0.066 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -70.4 | -36 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I212 V213 Y214 S223 A224 A227 F387 | I212-A216 WeakPolarHBondContact O-CB 3.48Å; I212-A216 PolarHBondContact O-N 2.92Å; V213-A216 PolarHBondContact O-N 3.35Å; Y214-A216 VanDerWaalsContact C-N 3.25Å; Y214-A216 PolarHBondContact O-N 3.46Å; A216-S223 CarbonylContact O-C 3.41Å; A216-S223 WeakPolarHBondContact O-CB 3.3Å; A216-S223 PolarHBondContact O-OG 2.96Å; A216-A224 VanDerWaalsContact O-CA 3.26Å; A216-A224 WeakPolarHBondContact O-CA 3.29Å; A216-A224 PolarHBondContact O-N 3.13Å; A216-A227 HydrophobicContact CB-CB 3.95Å; A216-F387 HydrophobicContact CB-CD1 4.15Å; A216-F387 HydrophobicContact CB-CD2 3.69Å; A216-F387 HydrophobicContact CB-CE1 3.69Å; A216-F387 HydrophobicContact CB-CE2 3.15Å; A216-F387 HydrophobicContact CB-CG 4.14Å; A216-F387 HydrophobicContact CB-CZ 3.08Å |
| 217 | I | 93 | Very high | 94.2 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -112.3 | -6.9 | -172.2 | 71.9 | -162.9 | 0 | 0 | 0 | 115.3 | V213 Y214 K219 G220 F387 L390 F394 T413 M417 | V213-I217 HydrophobicContact CG1-CD1 3.78Å; V213-I217 WeakPolarHBondContact O-CG1 3.41Å; V213-I217 PolarHBondContact O-N 2.8Å; V213-I217 VanDerWaalsContact O-N 3.1Å; Y214-I217 PolarHBondContact O-N 2.98Å; I217-K219 PolarHBondContact O-N 2.91Å; I217-G220 WeakPolarHBondContact O-CA 3.18Å; I217-G220 PolarHBondContact O-N 3.21Å; I217-F387 HydrophobicContact CG2-CB 3.84Å; I217-F387 HydrophobicContact CG2-CD1 4.41Å; I217-F387 HydrophobicContact CG2-CG 4.07Å; I217-L390 HydrophobicContact CD1-CB 3.72Å; I217-L390 HydrophobicContact CD1-CD1 3.86Å; I217-L390 HydrophobicContact CD1-CG 4.48Å; I217-F394 HydrophobicContact CD1-CD2 4.23Å; I217-F394 HydrophobicContact CD1-CE2 3.54Å; I217-F394 HydrophobicContact CG1-CD2 4.5Å; I217-F394 HydrophobicContact CG1-CE2 3.99Å; I217-T413 HydrophobicContact CG1-CG2 4.02Å; I217-M417 HydrophobicContact CD1-CE 4.41Å |
| 218 | W | 91.8 | Very high | 94.1 | Very high | 70 Ų | 70 | 43.3 Ų | 43.3 | 27% | 0.265 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -27.4 | -177.7 | 68.7 | -24.1 | 0 | 0 | 0 | 115.9 | Y214 F215 Q410 | Y214-W218 HydrophobicContact CE1-CB 4.49Å; Y214-W218 AromaticContact CE1-CE3 3.8Å; Y214-W218 HydrophobicContact CE1-CE3 3.8Å; Y214-W218 HydrophobicContact CE1-CZ3 4.45Å; Y214-W218 HydrophobicContact CE2-CB 4.24Å; Y214-W218 VanDerWaalsContact O-CB 3.26Å; Y214-W218 WeakPolarHBondContact O-CB 3.33Å; Y214-W218 PolarHBondContact O-N 3.28Å; F215-W218 HydrophobicContact CD1-CD2 4.14Å; F215-W218 AromaticContact CD1-CE3 3.94Å; F215-W218 HydrophobicContact CD1-CE3 3.94Å; F215-W218 AromaticContact CD1-CH2 3.82Å; F215-W218 HydrophobicContact CD1-CH2 3.82Å; F215-W218 HydrophobicContact CD1-CZ2 4.01Å; F215-W218 AromaticContact CD1-CZ3 3.77Å; F215-W218 HydrophobicContact CD1-CZ3 3.77Å; F215-W218 HydrophobicContact CE1-CE3 4.16Å; F215-W218 AromaticContact CE1-CH2 3.91Å; F215-W218 HydrophobicContact CE1-CH2 3.91Å; F215-W218 AromaticContact CE1-CZ3 3.69Å; F215-W218 HydrophobicContact CE1-CZ3 3.69Å; F215-W218 PolarHBondContact O-NE1 3.49Å; W218-Q410 WeakPolarHBondContact O-CG 3.49Å |
| 219 | K | 90.2 | Very high | 94.1 | Very high | 107 Ų | 107 | 43.4 Ų | 43.4 | 47% | 0.465 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | 16.8 | 175.8 | -64 | 175.2 | -177.3 | 177.1 | 0 | 111.6 | I217 S223 | I217-K219 PolarHBondContact O-N 2.91Å; K219-S223 PolarHBondContact N-OG 3.41Å; K219-S223 VanDerWaalsContact N-OG 3.1Å |
| 220 | G | 90 | Very high | 94.1 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | -136.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | I217 R222 S223 A224 R409 | I217-G220 WeakPolarHBondContact O-CA 3.18Å; I217-G220 PolarHBondContact O-N 3.21Å; G220-R222 PolarHBondContact O-N 3.42Å; G220-S223 PolarHBondContact O-N 3.28Å; G220-S223 VanDerWaalsContact O-N 3.11Å; G220-S223 PolarHBondContact O-OG 2.74Å; G220-A224 WeakPolarHBondContact O-CB 3.28Å; G220-A224 PolarHBondContact O-N 2.93Å; G220-R409 VanDerWaalsContact CA-CZ 3.44Å |
| 221 | P | 90.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.1 | -21.7 | -173.6 | 23.8 | -34.7 | 0 | 0 | 0 | 113.3 | L20 W22 G225 Y297 | L20-P221 HydrophobicContact CB-CG 3.8Å; W22-P221 HydrophobicContact CD2-CB 3.84Å; W22-P221 HydrophobicContact CE3-CB 3.68Å; W22-P221 HydrophobicContact CH2-CB 4Å; W22-P221 HydrophobicContact CZ2-CB 4.13Å; W22-P221 HydrophobicContact CZ3-CB 3.77Å; W22-P221 WeakPolarHBondContact CZ3-O 3.39Å; P221-G225 WeakPolarHBondContact O-CA 3.34Å; P221-G225 PolarHBondContact O-N 2.97Å; P221-Y297 HydrophobicContact CB-CD2 4.27Å; P221-Y297 HydrophobicContact CB-CG 4.31Å; P221-Y297 HydrophobicContact CG-CD1 3.99Å; P221-Y297 HydrophobicContact CG-CD2 4.17Å; P221-Y297 HydrophobicContact CG-CE1 4.17Å; P221-Y297 HydrophobicContact CG-CE2 4.36Å; P221-Y297 HydrophobicContact CG-CG 3.96Å |
| 222 | R | 91.3 | Very high | 94.1 | Very high | 163 Ų | 163 | 45.9 Ų | 45.9 | 62% | 0.615 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -72.6 | -37 | 178.3 | -70.3 | -174 | 177.4 | 170.4 | 0.2 | 113.9 | G220 K226 | G220-R222 PolarHBondContact O-N 3.42Å; R222-K226 WeakPolarHBondContact O-CG 3.4Å |
| 223 | S | 93.1 | Very high | 94.2 | Very high | 15 Ų | 15 | 46.3 Ų | 46.3 | 11% | 0.105 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -86.1 | -39.4 | 175.4 | 51 | 0 | 0 | 0 | 0 | 110.6 | A216 K219 G220 G225 K226 A227 | A216-S223 CarbonylContact O-C 3.41Å; A216-S223 WeakPolarHBondContact O-CB 3.3Å; A216-S223 PolarHBondContact O-OG 2.96Å; K219-S223 PolarHBondContact N-OG 3.41Å; K219-S223 VanDerWaalsContact N-OG 3.1Å; G220-S223 PolarHBondContact O-N 3.28Å; G220-S223 VanDerWaalsContact O-N 3.11Å; G220-S223 PolarHBondContact O-OG 2.74Å; S223-G225 VanDerWaalsContact C-N 3.32Å; S223-G225 PolarHBondContact O-N 3.03Å; S223-K226 PolarHBondContact O-N 3.05Å; S223-A227 PolarHBondContact O-N 3.47Å; S223-A227 VanDerWaalsContact O-N 3.1Å |
| 224 | A | 94.3 | Very high | 94.3 | Very high | 7 Ų | 7 | 47 Ų | 47 | 6% | 0.058 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.7 | -44.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | W22 A216 G220 K226 A227 V228 | W22-A224 HydrophobicContact CZ3-CB 4.41Å; A216-A224 VanDerWaalsContact O-CA 3.26Å; A216-A224 WeakPolarHBondContact O-CA 3.29Å; A216-A224 PolarHBondContact O-N 3.13Å; G220-A224 WeakPolarHBondContact O-CB 3.28Å; G220-A224 PolarHBondContact O-N 2.93Å; A224-K226 PolarHBondContact O-N 3.49Å; A224-K226 VanDerWaalsContact O-N 3.09Å; A224-A227 PolarHBondContact O-N 3.38Å; A224-V228 WeakPolarHBondContact O-CG1 2.93Å; A224-V228 PolarHBondContact O-N 2.81Å |
| 225 | G | 94.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.3 | -23.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | E27 P221 S223 V228 | E27-G225 WeakPolarHBondContact CG-O 3.36Å; P221-G225 WeakPolarHBondContact O-CA 3.34Å; P221-G225 PolarHBondContact O-N 2.97Å; S223-G225 VanDerWaalsContact C-N 3.32Å; S223-G225 PolarHBondContact O-N 3.03Å; G225-V228 VanDerWaalsContact O-CG2 3.31Å; G225-V228 WeakPolarHBondContact O-CG2 3.16Å |
| 226 | K | 96 | Very high | 94.6 | Very high | 122 Ų | 122 | 42.3 Ų | 42.3 | 53% | 0.53 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -85.9 | -37.2 | 173.9 | -61.9 | -52.2 | -178.5 | -162.1 | 0 | 112.8 | E27 R222 S223 A224 | E27-K226 IonicContact OE1-NZ 3.67Å; E27-K226 PolarHBondContact OE1-NZ 3.43Å; R222-K226 WeakPolarHBondContact O-CG 3.4Å; S223-K226 PolarHBondContact O-N 3.05Å; A224-K226 PolarHBondContact O-N 3.49Å; A224-K226 VanDerWaalsContact O-N 3.09Å |
| 227 | A | 96.2 | Very high | 94.8 | Very high | 24 Ų | 24 | 46.6 Ų | 46.6 | 20% | 0.198 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.9 | -42.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | A216 S223 A224 W229 F230 T231 F387 | A216-A227 HydrophobicContact CB-CB 3.95Å; S223-A227 PolarHBondContact O-N 3.47Å; S223-A227 VanDerWaalsContact O-N 3.1Å; A224-A227 PolarHBondContact O-N 3.38Å; A227-W229 PolarHBondContact O-N 3.01Å; A227-W229 VanDerWaalsContact O-N 3.09Å; A227-F230 PolarHBondContact O-N 3.39Å; A227-T231 PolarHBondContact O-N 2.9Å; A227-T231 VanDerWaalsContact O-N 3.09Å; A227-T231 PolarHBondContact O-OG1 3.08Å; A227-T231 VanDerWaalsContact O-OG1 3.06Å; A227-F387 HydrophobicContact CB-CD2 4.36Å; A227-F387 HydrophobicContact CB-CE2 3.71Å |
| 228 | V | 96.4 | Very high | 95 | Very high | 6 Ų | 6 | 46.7 Ų | 46.7 | 4% | 0.036 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.5 | -21.9 | -178.5 | -61.6 | 0 | 0 | 0 | 0 | 114.5 | L30 A31 A224 G225 F230 T231 A232 | L30-V228 HydrophobicContact CB-CB 4.26Å; L30-V228 HydrophobicContact CB-CG2 3.94Å; A31-V228 HydrophobicContact CB-CG1 4.2Å; A224-V228 WeakPolarHBondContact O-CG1 2.93Å; A224-V228 PolarHBondContact O-N 2.81Å; G225-V228 VanDerWaalsContact O-CG2 3.31Å; G225-V228 WeakPolarHBondContact O-CG2 3.16Å; V228-F230 PolarHBondContact O-N 3Å; V228-T231 VanDerWaalsContact CA-OG1 3.28Å; V228-T231 WeakPolarHBondContact CA-OG1 3.39Å; V228-A232 HydrophobicContact CB-CB 4.48Å; V228-A232 WeakPolarHBondContact O-CB 3.31Å; V228-A232 PolarHBondContact O-N 3.32Å |
| 229 | W | 96.9 | Very high | 95.3 | Very high | 105 Ų | 105 | 43.4 Ų | 43.4 | 40% | 0.398 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61.7 | -33.7 | 172.3 | -83.6 | 99.3 | 0 | 0 | 0 | 112.5 | I26 L30 A227 I233 | I26-W229 HydrophobicContact CB-CZ2 4.45Å; I26-W229 HydrophobicContact CG2-CH2 3.77Å; I26-W229 HydrophobicContact CG2-CZ2 3.85Å; L30-W229 HydrophobicContact CD1-CD2 3.84Å; L30-W229 HydrophobicContact CD1-CE3 3.91Å; L30-W229 HydrophobicContact CD1-CG 4.35Å; L30-W229 HydrophobicContact CD1-CH2 4.33Å; L30-W229 HydrophobicContact CD1-CZ2 4.26Å; L30-W229 HydrophobicContact CD1-CZ3 4.16Å; A227-W229 PolarHBondContact O-N 3.01Å; A227-W229 VanDerWaalsContact O-N 3.09Å; W229-I233 HydrophobicContact CE3-CD1 3.85Å; W229-I233 HydrophobicContact CZ3-CD1 4.28Å; W229-I233 WeakPolarHBondContact O-CB 3.35Å; W229-I233 WeakPolarHBondContact O-CD1 3.42Å; W229-I233 VanDerWaalsContact O-CG1 3.23Å; W229-I233 WeakPolarHBondContact O-CG1 3.24Å |
| 230 | F | 96.9 | Very high | 95.6 | Very high | 114 Ų | 114 | 43.4 Ų | 43.4 | 50% | 0.5 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -88.3 | -54.2 | 175.6 | 177 | -99.4 | 0 | 0 | 0 | 110.4 | A227 V228 A232 I233 A234 M376 | A227-F230 PolarHBondContact O-N 3.39Å; V228-F230 PolarHBondContact O-N 3Å; F230-A232 PolarHBondContact O-N 3.47Å; F230-I233 PolarHBondContact O-N 3.28Å; F230-A234 HydrophobicContact CE2-CB 4.44Å; F230-A234 HydrophobicContact CZ-CB 4.23Å; F230-A234 VanDerWaalsContact O-CB 3.3Å; F230-A234 WeakPolarHBondContact O-CB 3.33Å; F230-A234 PolarHBondContact O-N 3.39Å; F230-M376 HydrophobicContact CE1-CE 3.43Å; F230-M376 VanDerWaalsContact CE1-CE 3.43Å; F230-M376 HydrophobicContact CZ-CE 3.29Å |
| 231 | T | 96.8 | Very high | 96 | Very high | 10 Ų | 10 | 45.4 Ų | 45.4 | 6% | 0.061 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -69.8 | -33.5 | -169.4 | 45.7 | 0 | 0 | 0 | 0 | 113.7 | A227 V228 P235 S380 I383 D384 | A227-T231 PolarHBondContact O-N 2.9Å; A227-T231 VanDerWaalsContact O-N 3.09Å; A227-T231 PolarHBondContact O-OG1 3.08Å; A227-T231 VanDerWaalsContact O-OG1 3.06Å; V228-T231 VanDerWaalsContact CA-OG1 3.28Å; V228-T231 WeakPolarHBondContact CA-OG1 3.39Å; T231-P235 WeakPolarHBondContact O-CD 3.37Å; T231-P235 WeakPolarHBondContact O-CG 3.45Å; T231-S380 WeakPolarHBondContact O-CB 3.41Å; T231-I383 HydrophobicContact CG2-CG2 3.88Å; T231-D384 VanDerWaalsContact CB-CG 3.48Å; T231-D384 WeakPolarHBondContact CB-OD1 3.37Å; T231-D384 WeakPolarHBondContact CB-OD2 3.28Å; T231-D384 VanDerWaalsContact OG1-CG 3.26Å; T231-D384 PolarHBondContact OG1-OD1 3.02Å; T231-D384 PolarHBondContact OG1-OD2 3.27Å |
| 232 | A | 96.5 | Very high | 96.3 | Very high | 3 Ų | 3 | 45.6 Ų | 45.6 | 3% | 0.025 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -20.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L30 V228 F230 Y236 D384 | L30-A232 HydrophobicContact CB-CB 4.4Å; L30-A232 HydrophobicContact CD2-CB 4.36Å; V228-A232 HydrophobicContact CB-CB 4.48Å; V228-A232 WeakPolarHBondContact O-CB 3.31Å; V228-A232 PolarHBondContact O-N 3.32Å; F230-A232 PolarHBondContact O-N 3.47Å; A232-Y236 VanDerWaalsContact O-CD2 3.25Å; A232-Y236 WeakPolarHBondContact O-CD2 3.46Å; A232-Y236 WeakPolarHBondContact O-CE2 3.15Å; A232-D384 VanDerWaalsContact CA-OD2 3.29Å; A232-D384 WeakPolarHBondContact CA-OD2 3.49Å; A232-D384 PolarHBondContact N-OD2 3.42Å |
| 233 | I | 96.9 | Very high | 96.5 | Very high | 62 Ų | 62 | 39.8 Ų | 39.8 | 32% | 0.318 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -39.5 | -178.1 | -60.8 | -173.3 | 0 | 0 | 0 | 111.6 | L30 W229 F230 P235 Y236 I237 | L30-I233 HydrophobicContact CD2-CG1 4.47Å; W229-I233 HydrophobicContact CE3-CD1 3.85Å; W229-I233 HydrophobicContact CZ3-CD1 4.28Å; W229-I233 WeakPolarHBondContact O-CB 3.35Å; W229-I233 WeakPolarHBondContact O-CD1 3.42Å; W229-I233 VanDerWaalsContact O-CG1 3.23Å; W229-I233 WeakPolarHBondContact O-CG1 3.24Å; F230-I233 PolarHBondContact O-N 3.28Å; I233-P235 VanDerWaalsContact C-CD 3.43Å; I233-P235 VanDerWaalsContact C-N 3.32Å; I233-Y236 PolarHBondContact O-N 2.7Å; I233-I237 HydrophobicContact CG2-CD1 4.08Å; I233-I237 HydrophobicContact CG2-CG1 4.33Å; I233-I237 PolarHBondContact O-N 3.34Å |
| 234 | A | 97.1 | Very high | 96.7 | Very high | 14 Ų | 14 | 42 Ų | 42 | 12% | 0.116 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -52.9 | -39.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | F230 Y236 I237 A238 | F230-A234 HydrophobicContact CE2-CB 4.44Å; F230-A234 HydrophobicContact CZ-CB 4.23Å; F230-A234 VanDerWaalsContact O-CB 3.3Å; F230-A234 WeakPolarHBondContact O-CB 3.33Å; F230-A234 PolarHBondContact O-N 3.39Å; A234-Y236 VanDerWaalsContact C-N 3.33Å; A234-Y236 PolarHBondContact O-N 2.91Å; A234-I237 PolarHBondContact O-N 2.61Å; A234-A238 PolarHBondContact O-N 3.19Å |
| 235 | P | 97.5 | Very high | 96.7 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.013 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.7 | -40.1 | 175.6 | -28.3 | 37.1 | 0 | 0 | 0 | 113.6 | T231 I233 A238 L239 M377 L381 | T231-P235 WeakPolarHBondContact O-CD 3.37Å; T231-P235 WeakPolarHBondContact O-CG 3.45Å; I233-P235 VanDerWaalsContact C-CD 3.43Å; I233-P235 VanDerWaalsContact C-N 3.32Å; P235-A238 PolarHBondContact O-N 3.33Å; P235-L239 WeakPolarHBondContact O-CB 3.16Å; P235-L239 VanDerWaalsContact O-CG 3.28Å; P235-L239 WeakPolarHBondContact O-CG 3.48Å; P235-L239 PolarHBondContact O-N 3.05Å; P235-M377 HydrophobicContact CB-CG 3.91Å; P235-M377 HydrophobicContact CG-CG 4.48Å; P235-L381 HydrophobicContact CB-CD1 4.47Å; P235-L381 HydrophobicContact CB-CD2 3.67Å; P235-L381 HydrophobicContact CB-CG 3.96Å; P235-L381 HydrophobicContact CG-CD2 3.54Å; P235-L381 HydrophobicContact CG-CG 3.7Å |
| 236 | Y | 97.7 | Very high | 96.7 | Very high | 57 Ų | 57 | 43.6 Ų | 43.6 | 22% | 0.224 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69.4 | -37.9 | 178.8 | -69 | -73.9 | 0 | 0 | 0 | 112.4 | I33 A232 I233 A234 A238 I240 I314 T318 | I33-Y236 HydrophobicContact CG2-CE2 4.03Å; A232-Y236 VanDerWaalsContact O-CD2 3.25Å; A232-Y236 WeakPolarHBondContact O-CD2 3.46Å; A232-Y236 WeakPolarHBondContact O-CE2 3.15Å; I233-Y236 PolarHBondContact O-N 2.7Å; A234-Y236 VanDerWaalsContact C-N 3.33Å; A234-Y236 PolarHBondContact O-N 2.91Å; Y236-A238 VanDerWaalsContact C-N 3.3Å; Y236-A238 PolarHBondContact O-N 2.95Å; Y236-I240 VanDerWaalsContact O-CB 3.31Å; Y236-I240 WeakPolarHBondContact O-CB 3.32Å; Y236-I240 WeakPolarHBondContact O-CD1 3.34Å; Y236-I240 WeakPolarHBondContact O-CG1 3.39Å; Y236-I240 PolarHBondContact O-N 2.97Å; Y236-I314 WeakPolarHBondContact OH-CG2 3.44Å; Y236-T318 HydrophobicContact CE1-CG2 3.98Å; Y236-T318 WeakPolarHBondContact CE1-OG1 3.47Å; Y236-T318 PolarHBondContact OH-OG1 3.48Å |
| 237 | I | 97.8 | Very high | 96.7 | Very high | 97 Ų | 97 | 41 Ų | 41 | 50% | 0.497 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59.4 | -46.6 | 173.5 | -62.3 | 173.9 | 0 | 0 | 0 | 109.6 | I233 A234 S241 | I233-I237 HydrophobicContact CG2-CD1 4.08Å; I233-I237 HydrophobicContact CG2-CG1 4.33Å; I233-I237 PolarHBondContact O-N 3.34Å; A234-I237 PolarHBondContact O-N 2.61Å; I237-S241 VanDerWaalsContact O-CB 3.24Å; I237-S241 WeakPolarHBondContact O-CB 3.39Å; I237-S241 PolarHBondContact O-N 2.73Å; I237-S241 PolarHBondContact O-OG 3.47Å |
| 238 | A | 97.2 | Very high | 96.7 | Very high | 2 Ų | 2 | 44.7 Ų | 44.7 | 2% | 0.017 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.5 | -49.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A234 P235 Y236 I240 S241 L242 L373 M377 | A234-A238 PolarHBondContact O-N 3.19Å; P235-A238 PolarHBondContact O-N 3.33Å; Y236-A238 VanDerWaalsContact C-N 3.3Å; Y236-A238 PolarHBondContact O-N 2.95Å; A238-I240 PolarHBondContact O-N 3.41Å; A238-S241 PolarHBondContact O-N 2.9Å; A238-L242 VanDerWaalsContact O-CB 3.28Å; A238-L242 WeakPolarHBondContact O-CB 3.48Å; A238-L242 VanDerWaalsContact O-CG 3.27Å; A238-L242 WeakPolarHBondContact O-CG 3.07Å; A238-L242 PolarHBondContact O-N 3.09Å; A238-L373 HydrophobicContact CB-CB 4.44Å; A238-L373 WeakPolarHBondContact CB-O 3.45Å; A238-M377 HydrophobicContact CB-CB 3.59Å; A238-M377 HydrophobicContact CB-CG 4.24Å; A238-M377 HydrophobicContact CB-SD 4.04Å |
| 239 | L | 97.2 | Very high | 96.6 | Very high | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.9 | -46.7 | 179.7 | -74.3 | 174.6 | 0 | 0 | 0 | 111.7 | P235 L243 T318 L321 V325 M377 | P235-L239 WeakPolarHBondContact O-CB 3.16Å; P235-L239 VanDerWaalsContact O-CG 3.28Å; P235-L239 WeakPolarHBondContact O-CG 3.48Å; P235-L239 PolarHBondContact O-N 3.05Å; L239-L243 VanDerWaalsContact O-CB 3.25Å; L239-L243 WeakPolarHBondContact O-CB 3.23Å; L239-L243 PolarHBondContact O-N 3.27Å; L239-T318 HydrophobicContact CD1-CG2 3.68Å; L239-L321 HydrophobicContact CB-CD2 3.97Å; L239-L321 HydrophobicContact CB-CG 4.32Å; L239-L321 HydrophobicContact CD1-CD2 4.08Å; L239-L321 HydrophobicContact CD1-CG 4.47Å; L239-V325 HydrophobicContact CD2-CB 4.41Å; L239-V325 HydrophobicContact CD2-CG2 4.04Å; L239-V325 WeakPolarHBondContact O-CG2 3.27Å; L239-M377 HydrophobicContact CD1-SD 4.49Å; L239-M377 HydrophobicContact CD2-CE 4.34Å; L239-M377 HydrophobicContact CD2-SD 3.56Å; L239-M377 VanDerWaalsContact CD2-SD 3.56Å; L239-M377 HydrophobicContact CG-SD 3.58Å; L239-M377 VanDerWaalsContact CG-SD 3.58Å |
| 240 | I | 97.9 | Very high | 96.5 | Very high | 106 Ų | 106 | 43.8 Ų | 43.8 | 54% | 0.544 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.7 | -42.2 | 179.7 | -66.2 | 167.5 | 0 | 0 | 0 | 110.5 | Y236 A238 L243 A244 | Y236-I240 VanDerWaalsContact O-CB 3.31Å; Y236-I240 WeakPolarHBondContact O-CB 3.32Å; Y236-I240 WeakPolarHBondContact O-CD1 3.34Å; Y236-I240 WeakPolarHBondContact O-CG1 3.39Å; Y236-I240 PolarHBondContact O-N 2.97Å; A238-I240 PolarHBondContact O-N 3.41Å; I240-L243 PolarHBondContact O-N 3.1Å; I240-A244 VanDerWaalsContact O-CB 3.32Å; I240-A244 WeakPolarHBondContact O-CB 3.48Å; I240-A244 PolarHBondContact O-N 3.41Å |
| 241 | S | 97.3 | Very high | 96.4 | Very high | 43 Ų | 43 | 39.2 Ų | 39.2 | 30% | 0.301 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.9 | -45.4 | 179.4 | -57.7 | 0 | 0 | 0 | 0 | 112.1 | I237 A238 L243 A244 H245 | I237-S241 VanDerWaalsContact O-CB 3.24Å; I237-S241 WeakPolarHBondContact O-CB 3.39Å; I237-S241 PolarHBondContact O-N 2.73Å; I237-S241 PolarHBondContact O-OG 3.47Å; A238-S241 PolarHBondContact O-N 2.9Å; S241-L243 VanDerWaalsContact C-N 3.32Å; S241-A244 PolarHBondContact O-N 3.41Å; S241-H245 PolarHBondContact O-N 3.03Å |
| 242 | L | 96 | Very high | 96.3 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.7 | -35.8 | 176.8 | -72.6 | 168 | 0 | 0 | 0 | 111.4 | A238 G246 V325 W370 F374 | A238-L242 VanDerWaalsContact O-CB 3.28Å; A238-L242 WeakPolarHBondContact O-CB 3.48Å; A238-L242 VanDerWaalsContact O-CG 3.27Å; A238-L242 WeakPolarHBondContact O-CG 3.07Å; A238-L242 PolarHBondContact O-N 3.09Å; L242-G246 WeakPolarHBondContact O-CA 3.32Å; L242-G246 PolarHBondContact O-N 3.1Å; L242-V325 HydrophobicContact CB-CG1 3.71Å; L242-V325 HydrophobicContact CD1-CG1 4.27Å; L242-W370 HydrophobicContact CD2-CB 4.17Å; L242-W370 HydrophobicContact CD2-CE3 3.91Å; L242-F374 HydrophobicContact CD1-CB 4.18Å; L242-F374 HydrophobicContact CD1-CD2 4.07Å |
| 243 | L | 96.6 | Very high | 96.3 | Very high | 41 Ų | 41 | 44.2 Ų | 44.2 | 22% | 0.215 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.2 | -51.9 | 174.1 | -176.7 | 64.3 | 0 | 0 | 0 | 111 | L239 I240 S241 H245 G246 V247 L321 F324 V325 | L239-L243 VanDerWaalsContact O-CB 3.25Å; L239-L243 WeakPolarHBondContact O-CB 3.23Å; L239-L243 PolarHBondContact O-N 3.27Å; I240-L243 PolarHBondContact O-N 3.1Å; S241-L243 VanDerWaalsContact C-N 3.32Å; L243-H245 PolarHBondContact O-N 3.3Å; L243-G246 PolarHBondContact O-N 3.2Å; L243-G246 VanDerWaalsContact O-N 3.09Å; L243-V247 HydrophobicContact CD1-CG1 3.69Å; L243-V247 HydrophobicContact CG-CG1 4.16Å; L243-V247 WeakPolarHBondContact O-CG1 3.07Å; L243-V247 WeakPolarHBondContact O-CG2 3.3Å; L243-V247 PolarHBondContact O-N 2.9Å; L243-L321 HydrophobicContact CD2-CD1 3.59Å; L243-F324 HydrophobicContact CD1-CB 3.74Å; L243-V325 HydrophobicContact CB-CG2 3.72Å; L243-V325 HydrophobicContact CD1-CG2 4.31Å |
| 244 | A | 97 | Very high | 96.1 | Very high | 60 Ų | 60 | 44.5 Ų | 44.5 | 50% | 0.496 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -55.8 | -40.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I240 S241 T248 | I240-A244 VanDerWaalsContact O-CB 3.32Å; I240-A244 WeakPolarHBondContact O-CB 3.48Å; I240-A244 PolarHBondContact O-N 3.41Å; S241-A244 PolarHBondContact O-N 3.41Å; A244-T248 WeakPolarHBondContact O-CG2 3.17Å |
| 245 | H | 95.4 | Very high | 95.9 | Very high | 41 Ų | 41 | 43.9 Ų | 43.9 | 19% | 0.19 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -72.3 | -48.5 | 172 | -174 | 51.1 | 0 | 0 | 0 | 112.3 | S241 L243 V247 T248 W370 | S241-H245 PolarHBondContact O-N 3.03Å; L243-H245 PolarHBondContact O-N 3.3Å; H245-V247 VanDerWaalsContact C-N 3.31Å; H245-V247 PolarHBondContact O-N 2.98Å; H245-T248 PolarHBondContact O-N 2.91Å; H245-T248 PolarHBondContact O-OG1 3.09Å; H245-W370 HydrophobicContact CB-CE3 4.42Å; H245-W370 HydrophobicContact CB-CH2 3.41Å; H245-W370 VanDerWaalsContact CB-CH2 3.41Å; H245-W370 HydrophobicContact CB-CZ2 3.77Å; H245-W370 HydrophobicContact CB-CZ3 3.76Å; H245-W370 AromaticContact CD2-CD2 3.77Å; H245-W370 AromaticContact CD2-CE2 3.2Å; H245-W370 AromaticContact CD2-CH2 3.84Å; H245-W370 AromaticContact CD2-CZ2 3.26Å; H245-W370 WeakPolarHBondContact CD2-CZ2 3.48Å; H245-W370 AromaticContact CD2-NE1 3.49Å; H245-W370 PolarHBondContact CD2-NE1 3.35Å; H245-W370 AromaticContact CE1-CZ2 3.8Å; H245-W370 AromaticContact CG-CE2 3.74Å; H245-W370 AromaticContact CG-CH2 3.48Å; H245-W370 VanDerWaalsContact CG-CH2 3.48Å; H245-W370 AromaticContact CG-CZ2 3.25Å; H245-W370 AromaticContact ND1-CZ2 3.61Å; H245-W370 AromaticContact NE2-CE2 3.51Å; H245-W370 AromaticContact NE2-CZ2 3.61Å; H245-W370 AromaticContact NE2-NE1 3.35Å; H245-W370 PolarHBondContact NE2-NE1 3.26Å |
| 246 | G | 94.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.8 | -39.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L242 L243 T248 L249 A252 | L242-G246 WeakPolarHBondContact O-CA 3.32Å; L242-G246 PolarHBondContact O-N 3.1Å; L243-G246 PolarHBondContact O-N 3.2Å; L243-G246 VanDerWaalsContact O-N 3.09Å; G246-T248 VanDerWaalsContact C-N 3.26Å; G246-T248 PolarHBondContact O-N 2.65Å; G246-L249 WeakPolarHBondContact O-CB 3.46Å; G246-L249 PolarHBondContact O-N 2.85Å; G246-A252 WeakPolarHBondContact O-CB 3.42Å |
| 247 | V | 96.1 | Very high | 95.7 | Very high | 68 Ų | 68 | 47 Ų | 47 | 41% | 0.412 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -18.1 | 178.1 | -59.8 | 0 | 0 | 0 | 0 | 113.8 | L243 H245 L249 I256 | L243-V247 HydrophobicContact CD1-CG1 3.69Å; L243-V247 HydrophobicContact CG-CG1 4.16Å; L243-V247 WeakPolarHBondContact O-CG1 3.07Å; L243-V247 WeakPolarHBondContact O-CG2 3.3Å; L243-V247 PolarHBondContact O-N 2.9Å; H245-V247 VanDerWaalsContact C-N 3.31Å; H245-V247 PolarHBondContact O-N 2.98Å; V247-L249 VanDerWaalsContact C-N 3.34Å; V247-I256 HydrophobicContact CG1-CD1 4.15Å |
| 248 | T | 95.8 | Very high | 95.3 | Very high | 102 Ų | 102 | 46.2 Ų | 46.2 | 63% | 0.626 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -8.9 | 177 | 65.6 | 0 | 0 | 0 | 0 | 113.1 | A244 H245 G246 | A244-T248 WeakPolarHBondContact O-CG2 3.17Å; H245-T248 PolarHBondContact O-N 2.91Å; H245-T248 PolarHBondContact O-OG1 3.09Å; G246-T248 VanDerWaalsContact C-N 3.26Å; G246-T248 PolarHBondContact O-N 2.65Å |
| 249 | L | 94.8 | Very high | 95.1 | Very high | 22 Ų | 22 | 46.1 Ų | 46.1 | 12% | 0.115 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -79.3 | 145.1 | -178.5 | -63.6 | 173.4 | 0 | 0 | 0 | 111.7 | G246 V247 A252 Y332 M364 | G246-L249 WeakPolarHBondContact O-CB 3.46Å; G246-L249 PolarHBondContact O-N 2.85Å; V247-L249 VanDerWaalsContact C-N 3.34Å; L249-A252 HydrophobicContact CB-CB 4.39Å; L249-A252 WeakPolarHBondContact O-CB 3.42Å; L249-A252 PolarHBondContact O-N 3.25Å; L249-Y332 HydrophobicContact CB-CD2 3.76Å; L249-Y332 HydrophobicContact CB-CE2 4.48Å; L249-Y332 HydrophobicContact CB-CG 3.78Å; L249-Y332 HydrophobicContact CD1-CD1 3.78Å; L249-Y332 HydrophobicContact CD1-CD2 4.46Å; L249-Y332 HydrophobicContact CD1-CE1 4.38Å; L249-Y332 HydrophobicContact CD1-CG 3.81Å; L249-Y332 HydrophobicContact CD2-CD2 4.43Å; L249-Y332 HydrophobicContact CD2-CE2 4.4Å; L249-Y332 HydrophobicContact CG-CD2 4.44Å; L249-Y332 HydrophobicContact CG-CG 4.25Å; L249-M364 HydrophobicContact CD1-CE 3.64Å; L249-M364 HydrophobicContact CD1-CG 4.14Å; L249-M364 HydrophobicContact CD1-SD 3.95Å |
| 250 | P | 94.9 | Very high | 95 | Very high | 69 Ų | 69 | 49.2 Ų | 49.2 | 45% | 0.448 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | 137.6 | 178.5 | 26.8 | -33.8 | 0 | 0 | 0 | 111 | A252 Y332 | P250-A252 PolarHBondContact O-N 3.38Å; P250-Y332 HydrophobicContact CG-CD2 3.78Å; P250-Y332 HydrophobicContact CG-CE2 3.7Å; P250-Y332 WeakPolarHBondContact O-CA 3.16Å; P250-Y332 WeakPolarHBondContact O-CD2 3.43Å |
| 251 | G | 93.5 | Very high | 94.8 | Very high | 18 Ų | 18 | 47.6 Ų | 47.6 | 19% | 0.186 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | -4.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | I253 S254 G331 | G251-I253 PolarHBondContact O-N 3.1Å; G251-S254 WeakPolarHBondContact O-CB 3.45Å; G251-S254 PolarHBondContact O-N 3Å; G251-G331 CarbonylContact O-C 3.58Å |
| 252 | A | 95.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.3 | -37.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | G246 L249 P250 S254 G255 I256 S328 | G246-A252 WeakPolarHBondContact O-CB 3.42Å; L249-A252 HydrophobicContact CB-CB 4.39Å; L249-A252 WeakPolarHBondContact O-CB 3.42Å; L249-A252 PolarHBondContact O-N 3.25Å; P250-A252 PolarHBondContact O-N 3.38Å; A252-S254 VanDerWaalsContact C-N 3.28Å; A252-S254 PolarHBondContact O-N 3.32Å; A252-G255 PolarHBondContact O-N 2.96Å; A252-G255 VanDerWaalsContact O-N 3.12Å; A252-I256 PolarHBondContact O-N 3.45Å; A252-I256 VanDerWaalsContact O-N 3.08Å; A252-S328 WeakPolarHBondContact CA-O 3.47Å; A252-S328 WeakPolarHBondContact CB-O 3.38Å |
| 253 | I | 95.6 | Very high | 94.6 | Very high | 118 Ų | 118 | 52.4 Ų | 52.4 | 61% | 0.605 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -59.4 | -38.7 | 177.2 | -64.7 | 174.8 | 0 | 0 | 0 | 111.3 | G251 G255 I256 I257 | G251-I253 PolarHBondContact O-N 3.1Å; I253-G255 VanDerWaalsContact C-N 3.27Å; I253-G255 PolarHBondContact O-N 3.25Å; I253-I256 PolarHBondContact O-N 2.99Å; I253-I257 HydrophobicContact CG2-CD1 3.72Å; I253-I257 HydrophobicContact CG2-CG1 4.17Å; I253-I257 WeakPolarHBondContact O-CG1 3.49Å; I253-I257 PolarHBondContact O-N 3.1Å |
| 254 | S | 93.6 | Very high | 94.6 | Very high | 69 Ų | 69 | 57.3 Ų | 57.3 | 48% | 0.483 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.8 | -39.4 | 177.6 | -54.2 | 0 | 0 | 0 | 0 | 111.4 | G251 A252 Y258 I341 | G251-S254 WeakPolarHBondContact O-CB 3.45Å; G251-S254 PolarHBondContact O-N 3Å; A252-S254 VanDerWaalsContact C-N 3.28Å; A252-S254 PolarHBondContact O-N 3.32Å; S254-Y258 WeakPolarHBondContact O-CB 3.35Å; S254-Y258 PolarHBondContact O-N 3.3Å; S254-I341 WeakPolarHBondContact O-CD1 3.38Å |
| 255 | G | 93.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.3 | -44.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113 | A252 I253 Y258 F259 F327 | A252-G255 PolarHBondContact O-N 2.96Å; A252-G255 VanDerWaalsContact O-N 3.12Å; I253-G255 VanDerWaalsContact C-N 3.27Å; I253-G255 PolarHBondContact O-N 3.25Å; G255-Y258 WeakPolarHBondContact O-CB 3.4Å; G255-Y258 PolarHBondContact O-N 3.37Å; G255-F259 PolarHBondContact O-N 3.26Å; G255-F327 VanDerWaalsContact CA-O 3.31Å; G255-F327 WeakPolarHBondContact CA-O 3.13Å; G255-F327 WeakPolarHBondContact O-CB 3.42Å |
| 256 | I | 94.8 | Very high | 94.4 | Very high | 30 Ų | 30 | 61.6 Ų | 61.6 | 15% | 0.154 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.9 | -43 | 177.8 | -65.4 | 169.6 | 0 | 0 | 0 | 111.4 | V247 A252 I253 Y258 F259 L260 F324 | V247-I256 HydrophobicContact CG1-CD1 4.15Å; A252-I256 PolarHBondContact O-N 3.45Å; A252-I256 VanDerWaalsContact O-N 3.08Å; I253-I256 PolarHBondContact O-N 2.99Å; I256-Y258 VanDerWaalsContact C-N 3.29Å; I256-Y258 PolarHBondContact O-N 3.4Å; I256-F259 WeakPolarHBondContact O-CB 3.49Å; I256-F259 PolarHBondContact O-N 2.94Å; I256-L260 HydrophobicContact CG2-CD1 4.05Å; I256-L260 PolarHBondContact O-N 3.35Å; I256-L260 VanDerWaalsContact O-N 3.07Å; I256-F324 HydrophobicContact CD1-CD1 4.5Å; I256-F324 HydrophobicContact CG1-CD1 4.27Å; I256-F324 HydrophobicContact CG2-CD1 3.8Å; I256-F324 HydrophobicContact CG2-CE1 3.63Å |
| 257 | I | 95.1 | Very high | 94.4 | Very high | 95 Ų | 95 | 63.4 Ų | 63.4 | 49% | 0.487 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.6 | -44 | 174.3 | -69.7 | 171.5 | 0 | 0 | 0 | 109.6 | I253 F259 L260 T261 | I253-I257 HydrophobicContact CG2-CD1 3.72Å; I253-I257 HydrophobicContact CG2-CG1 4.17Å; I253-I257 WeakPolarHBondContact O-CG1 3.49Å; I253-I257 PolarHBondContact O-N 3.1Å; I257-F259 VanDerWaalsContact C-N 3.31Å; I257-F259 PolarHBondContact O-N 3.09Å; I257-L260 PolarHBondContact O-N 2.93Å; I257-T261 WeakPolarHBondContact O-CB 2.95Å; I257-T261 PolarHBondContact O-N 3.32Å; I257-T261 PolarHBondContact O-OG1 2.89Å |
| 258 | Y | 90.8 | Very high | 94.4 | Very high | 80 Ų | 80 | 67.9 Ų | 67.9 | 31% | 0.314 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.9 | -39.8 | 177.7 | -171.5 | -96.1 | 0 | 0 | 0 | 112.6 | Y50 S254 G255 I256 F327 I341 | Y50-Y258 AromaticContact CD2-CE1 3.61Å; Y50-Y258 HydrophobicContact CD2-CE1 3.61Å; Y50-Y258 HydrophobicContact CE2-CE1 4.15Å; Y50-Y258 HydrophobicContact CG-CE1 4.26Å; S254-Y258 WeakPolarHBondContact O-CB 3.35Å; S254-Y258 PolarHBondContact O-N 3.3Å; G255-Y258 WeakPolarHBondContact O-CB 3.4Å; G255-Y258 PolarHBondContact O-N 3.37Å; I256-Y258 VanDerWaalsContact C-N 3.29Å; I256-Y258 PolarHBondContact O-N 3.4Å; Y258-F327 HydrophobicContact CD1-CD1 4.08Å; Y258-F327 AromaticContact CD1-CE1 3.65Å; Y258-F327 HydrophobicContact CD1-CE1 3.65Å; Y258-F327 HydrophobicContact CE1-CE1 4.07Å; Y258-I341 HydrophobicContact CD1-CB 4.45Å; Y258-I341 HydrophobicContact CD1-CG2 3.69Å; Y258-I341 HydrophobicContact CE1-CG2 3.96Å; Y258-I341 HydrophobicContact CG-CB 4.38Å; Y258-I341 HydrophobicContact CG-CD1 4.23Å; Y258-I341 HydrophobicContact CG-CG2 4.06Å |
| 259 | F | 92.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 67 Ų | 67 | 0% | 0.004 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 175.1 | 174.7 | -125.4 | 0 | 0 | 0 | 113.5 | F45 C49 G54 G55 G255 I256 I257 F324 F327 | F45-F259 HydrophobicContact CE1-CE2 4.41Å; F45-F259 HydrophobicContact CE1-CZ 4.13Å; C49-F259 HydrophobicContact CB-CE2 3.92Å; C49-F259 VanDerWaalsContact SG-CE2 3.59Å; G54-F259 CarbonylContact C-O 3.58Å; G54-F259 VanDerWaalsContact CA-O 3.27Å; G54-F259 WeakPolarHBondContact CA-O 3.31Å; G55-F259 PolarHBondContact N-O 3.31Å; G255-F259 PolarHBondContact O-N 3.26Å; I256-F259 WeakPolarHBondContact O-CB 3.49Å; I256-F259 PolarHBondContact O-N 2.94Å; I257-F259 VanDerWaalsContact C-N 3.31Å; I257-F259 PolarHBondContact O-N 3.09Å; F259-F324 HydrophobicContact CE1-CD2 4.41Å; F259-F324 HydrophobicContact CE1-CE2 4.46Å; F259-F327 HydrophobicContact CB-CB 3.84Å; F259-F327 HydrophobicContact CB-CD1 4.15Å; F259-F327 HydrophobicContact CB-CD2 3.72Å; F259-F327 HydrophobicContact CB-CE2 4.33Å; F259-F327 HydrophobicContact CB-CG 3.63Å; F259-F327 AromaticContact CD2-CD2 3.6Å; F259-F327 HydrophobicContact CD2-CD2 3.6Å; F259-F327 AromaticContact CD2-CE2 3.71Å; F259-F327 HydrophobicContact CD2-CE2 3.71Å; F259-F327 HydrophobicContact CD2-CG 4.4Å; F259-F327 HydrophobicContact CE2-CD2 4.44Å; F259-F327 HydrophobicContact CE2-CE2 4.47Å; F259-F327 HydrophobicContact CG-CB 4.46Å; F259-F327 AromaticContact CG-CD2 3.79Å; F259-F327 HydrophobicContact CG-CD2 3.79Å; F259-F327 HydrophobicContact CG-CE2 4.32Å; F259-F327 HydrophobicContact CG-CG 4.2Å |
| 260 | L | 94 | Very high | 94 | Very high | 66 Ų | 66 | 69.6 Ų | 69.6 | 35% | 0.346 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -91.7 | -17.8 | -172.2 | -66.5 | 178.6 | 0 | 0 | 0 | 114.5 | G55 I256 I257 P262 F324 | G55-L260 WeakPolarHBondContact CA-O 3.19Å; G55-L260 PolarHBondContact N-O 3.43Å; I256-L260 HydrophobicContact CG2-CD1 4.05Å; I256-L260 PolarHBondContact O-N 3.35Å; I256-L260 VanDerWaalsContact O-N 3.07Å; I257-L260 PolarHBondContact O-N 2.93Å; L260-P262 VanDerWaalsContact O-CD 3.25Å; L260-P262 WeakPolarHBondContact O-CD 3.39Å; L260-P262 VanDerWaalsContact O-N 3.14Å; L260-F324 HydrophobicContact CD1-CE1 3.84Å; L260-F324 HydrophobicContact CD1-CZ 3.94Å; L260-F324 HydrophobicContact CD2-CZ 4.15Å; L260-F324 HydrophobicContact CG-CE1 4.41Å; L260-F324 HydrophobicContact CG-CZ 4.44Å |
| 261 | T | 94.9 | Very high | 93.7 | Very high | 73 Ų | 73 | 71 Ų | 71 | 45% | 0.448 | 36% | 0.358 | S | S | . | . | trans | -62.1 | 116.6 | -177 | -63.8 | 0 | 0 | 0 | 0 | 109.9 | G55 I257 | G55-T261 PolarHBondContact N-O 3.49Å; I257-T261 WeakPolarHBondContact O-CB 2.95Å; I257-T261 PolarHBondContact O-N 3.32Å; I257-T261 PolarHBondContact O-OG1 2.89Å | ||
| 262 | P | 95.3 | Very high | 93.6 | Very high | 52 Ų | 52 | 70.1 Ų | 70.1 | 34% | 0.338 | 35% | 0.349 | S | S | . | . | trans | -81.9 | 129.5 | -175.5 | 31.6 | -32.9 | 0 | 0 | 0 | 111.4 | A56 L260 W264 | A56-P262 HydrophobicContact CB-CB 4.04Å; L260-P262 VanDerWaalsContact O-CD 3.25Å; L260-P262 WeakPolarHBondContact O-CD 3.39Å; L260-P262 VanDerWaalsContact O-N 3.14Å; P262-W264 HydrophobicContact CB-CD2 4.1Å; P262-W264 HydrophobicContact CB-CH2 4.07Å; P262-W264 HydrophobicContact CB-CZ2 3.57Å; P262-W264 HydrophobicContact CG-CZ2 3.62Å | ||
| 263 | Q | 94.2 | Very high | 93.5 | Very high | 96 Ų | 96 | 73.6 Ų | 73.6 | 45% | 0.449 | 36% | 0.362 | S | S | . | . | trans | -103.7 | 88.2 | 167.8 | -60.1 | 179.5 | -24.3 | 0 | 0 | 108.7 | G53 A56 E265 K266 | G53-Q263 PolarHBondContact O-N 3.19Å; A56-Q263 WeakPolarHBondContact CB-O 3.28Å; Q263-E265 VanDerWaalsContact C-OE2 3.27Å; Q263-E265 PolarHBondContact O-N 2.67Å; Q263-K266 HydrophobicContact CB-CG 4.04Å; Q263-K266 WeakPolarHBondContact O-CB 3.48Å; Q263-K266 PolarHBondContact O-N 3.13Å; Q263-K266 VanDerWaalsContact O-N 3.13Å | ||
| 264 | W | 96.2 | Very high | 93.1 | Very high | 143 Ų | 143 | 69.6 Ų | 69.6 | 54% | 0.542 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -62.2 | -26.4 | -171 | -60.7 | 110.6 | 0 | 0 | 0 | 113.7 | A56 V59 P262 K266 L267 | A56-W264 HydrophobicContact CB-CE3 4.05Å; A56-W264 HydrophobicContact CB-CZ3 4.33Å; V59-W264 HydrophobicContact CG2-CZ3 4.27Å; P262-W264 HydrophobicContact CB-CD2 4.1Å; P262-W264 HydrophobicContact CB-CH2 4.07Å; P262-W264 HydrophobicContact CB-CZ2 3.57Å; P262-W264 HydrophobicContact CG-CZ2 3.62Å; W264-K266 PolarHBondContact O-N 3.16Å; W264-L267 HydrophobicContact CE3-CD1 3.77Å; W264-L267 HydrophobicContact CZ3-CD1 4.22Å; W264-L267 WeakPolarHBondContact O-CB 3.29Å; W264-L267 PolarHBondContact O-N 3.21Å |
| 265 | E | 96.1 | Very high | 92.9 | Very high | 131 Ų | 131 | 68.7 Ų | 68.7 | 61% | 0.612 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -62.7 | -29.4 | 179.8 | -55.5 | 68.5 | -150.9 | 0 | 0 | 110.9 | Q263 L267 L268 | Q263-E265 VanDerWaalsContact C-OE2 3.27Å; Q263-E265 PolarHBondContact O-N 2.67Å; E265-L267 PolarHBondContact O-N 2.7Å; E265-L268 WeakPolarHBondContact O-CB 3.43Å; E265-L268 PolarHBondContact O-N 3.3Å |
| 266 | K | 92.5 | Very high | 92.9 | Very high | 60 Ų | 60 | 68.7 Ų | 68.7 | 26% | 0.261 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -65.6 | -24.4 | 176.4 | -69 | -72.8 | -172.6 | 161.7 | 0 | 112.8 | Q263 W264 L268 Q269 V272 | Q263-K266 HydrophobicContact CB-CG 4.04Å; Q263-K266 WeakPolarHBondContact O-CB 3.48Å; Q263-K266 PolarHBondContact O-N 3.13Å; Q263-K266 VanDerWaalsContact O-N 3.13Å; W264-K266 PolarHBondContact O-N 3.16Å; K266-L268 PolarHBondContact O-N 3.4Å; K266-Q269 WeakPolarHBondContact O-CB 3.46Å; K266-Q269 PolarHBondContact O-N 2.93Å; K266-V272 HydrophobicContact CB-CG2 4.2Å; K266-V272 VanDerWaalsContact O-CG2 3.27Å; K266-V272 WeakPolarHBondContact O-CG2 3.29Å |
| 267 | L | 94.2 | Very high | 92.7 | Very high | 38 Ų | 38 | 67.8 Ų | 67.8 | 20% | 0.199 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -66.9 | -18.4 | 178 | -63.1 | -176.9 | 0 | 0 | 0 | 113.5 | A56 P60 W264 E265 Q269 V272 W273 | A56-L267 HydrophobicContact CB-CD2 4.34Å; A56-L267 HydrophobicContact CB-CG 4.29Å; P60-L267 HydrophobicContact CG-CD2 4Å; W264-L267 HydrophobicContact CE3-CD1 3.77Å; W264-L267 HydrophobicContact CZ3-CD1 4.22Å; W264-L267 WeakPolarHBondContact O-CB 3.29Å; W264-L267 PolarHBondContact O-N 3.21Å; E265-L267 PolarHBondContact O-N 2.7Å; L267-Q269 VanDerWaalsContact C-N 3.25Å; L267-V272 HydrophobicContact CD2-CG1 4.31Å; L267-W273 PolarHBondContact O-NE1 2.91Å |
| 268 | L | 95.3 | Very high | 92.4 | Very high | 162 Ų | 162 | 64.3 Ų | 64.3 | 85% | 0.848 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -75.4 | -15.6 | 174.4 | -61.6 | 172.7 | 0 | 0 | 0 | 112.5 | E265 K266 | E265-L268 WeakPolarHBondContact O-CB 3.43Å; E265-L268 PolarHBondContact O-N 3.3Å; K266-L268 PolarHBondContact O-N 3.4Å |
| 269 | Q | 91.9 | Very high | 92.5 | Very high | 85 Ų | 85 | 60.7 Ų | 60.7 | 40% | 0.397 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -87.5 | 127.8 | 179.3 | -60.1 | -177.9 | -9.5 | 0 | 0 | 109.8 | K266 L267 E271 V272 | K266-Q269 WeakPolarHBondContact O-CB 3.46Å; K266-Q269 PolarHBondContact O-N 2.93Å; L267-Q269 VanDerWaalsContact C-N 3.25Å; Q269-E271 PolarHBondContact O-N 3.26Å; Q269-V272 HydrophobicContact CB-CG2 4.25Å; Q269-V272 WeakPolarHBondContact O-CB 3.44Å; Q269-V272 PolarHBondContact O-N 3.46Å |
| 270 | I | 90.3 | Very high | 92.5 | Very high | 76 Ų | 76 | 60.7 Ų | 60.7 | 39% | 0.39 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -69 | -27.5 | -176.6 | -171.2 | 60 | 0 | 0 | 0 | 111.9 | V272 W273 I274 I502 | I270-V272 VanDerWaalsContact C-N 3.26Å; I270-V272 PolarHBondContact O-N 3.34Å; I270-W273 HydrophobicContact CD1-CB 4.44Å; I270-W273 PolarHBondContact O-N 3.37Å; I270-W273 VanDerWaalsContact O-N 3.1Å; I270-I274 HydrophobicContact CG1-CD1 4.34Å; I270-I274 WeakPolarHBondContact O-CG1 3.27Å; I270-I274 PolarHBondContact O-N 2.89Å; I270-I274 VanDerWaalsContact O-N 3.1Å; I270-I502 HydrophobicContact CD1-CD1 4.26Å; I270-I502 HydrophobicContact CG1-CD1 3.49Å; I270-I502 VanDerWaalsContact CG1-CD1 3.49Å |
| 271 | E | 88.5 | Confident | 92.4 | Very high | 97 Ų | 97 | 58.1 Ų | 58.1 | 45% | 0.453 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.1 | -39.4 | 178.1 | -63 | 73.1 | -160.1 | 0 | 0 | 111.2 | Q269 W273 I274 D275 | Q269-E271 PolarHBondContact O-N 3.26Å; E271-W273 VanDerWaalsContact C-N 3.29Å; E271-W273 PolarHBondContact O-N 3.47Å; E271-I274 PolarHBondContact O-N 3.12Å; E271-I274 VanDerWaalsContact O-N 3.17Å; E271-D275 WeakPolarHBondContact O-CB 3.31Å; E271-D275 PolarHBondContact O-N 3.4Å |
| 272 | V | 91.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59 | -39.9 | 176.7 | 167.5 | 0 | 0 | 0 | 0 | 111.9 | N52 F57 P60 K266 L267 Q269 I270 A276 | N52-V272 HydrophobicContact CB-CB 4.36Å; N52-V272 HydrophobicContact CB-CG1 4.21Å; N52-V272 HydrophobicContact CB-CG2 3.75Å; F57-V272 HydrophobicContact CD2-CG1 4.08Å; P60-V272 HydrophobicContact CG-CG1 3.85Å; K266-V272 HydrophobicContact CB-CG2 4.2Å; K266-V272 VanDerWaalsContact O-CG2 3.27Å; K266-V272 WeakPolarHBondContact O-CG2 3.29Å; L267-V272 HydrophobicContact CD2-CG1 4.31Å; Q269-V272 HydrophobicContact CB-CG2 4.25Å; Q269-V272 WeakPolarHBondContact O-CB 3.44Å; Q269-V272 PolarHBondContact O-N 3.46Å; I270-V272 VanDerWaalsContact C-N 3.26Å; I270-V272 PolarHBondContact O-N 3.34Å; V272-A276 WeakPolarHBondContact O-CB 3.14Å; V272-A276 PolarHBondContact O-N 3.07Å; V272-A276 VanDerWaalsContact O-N 3.13Å |
| 273 | W | 92.6 | Very high | 92.2 | Very high | 73 Ų | 73 | 53.3 Ų | 53.3 | 28% | 0.277 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -74.3 | -35.1 | 178.1 | -67 | 86.4 | 0 | 0 | 0 | 112.5 | P60 V63 M64 L267 I270 E271 A277 | P60-W273 HydrophobicContact CB-CD2 3.68Å; P60-W273 HydrophobicContact CB-CE3 3.43Å; P60-W273 VanDerWaalsContact CB-CE3 3.43Å; P60-W273 HydrophobicContact CB-CG 4.29Å; P60-W273 HydrophobicContact CB-CH2 4.12Å; P60-W273 HydrophobicContact CB-CZ2 4.33Å; P60-W273 HydrophobicContact CB-CZ3 3.67Å; V63-W273 HydrophobicContact CB-CZ3 4.16Å; V63-W273 HydrophobicContact CG1-CZ3 4.04Å; V63-W273 HydrophobicContact CG2-CZ3 4.48Å; M64-W273 HydrophobicContact CE-CB 4.43Å; M64-W273 HydrophobicContact CE-CE3 4.11Å; L267-W273 PolarHBondContact O-NE1 2.91Å; I270-W273 HydrophobicContact CD1-CB 4.44Å; I270-W273 PolarHBondContact O-N 3.37Å; I270-W273 VanDerWaalsContact O-N 3.1Å; E271-W273 VanDerWaalsContact C-N 3.29Å; E271-W273 PolarHBondContact O-N 3.47Å; W273-A277 PolarHBondContact O-N 3.26Å |
| 274 | I | 87.8 | Confident | 92.2 | Very high | 35 Ų | 35 | 48.7 Ų | 48.7 | 18% | 0.179 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.3 | -44.5 | 176 | -63.4 | 168.4 | 0 | 0 | 0 | 110.4 | I270 E271 A276 A277 A278 R499 I502 | I270-I274 HydrophobicContact CG1-CD1 4.34Å; I270-I274 WeakPolarHBondContact O-CG1 3.27Å; I270-I274 PolarHBondContact O-N 2.89Å; I270-I274 VanDerWaalsContact O-N 3.1Å; E271-I274 PolarHBondContact O-N 3.12Å; E271-I274 VanDerWaalsContact O-N 3.17Å; I274-A276 VanDerWaalsContact C-N 3.33Å; I274-A276 PolarHBondContact O-N 2.82Å; I274-A277 PolarHBondContact O-N 3.37Å; I274-A278 WeakPolarHBondContact O-CB 3.46Å; I274-A278 PolarHBondContact O-N 3.05Å; I274-R499 HydrophobicContact CG2-CG 4.45Å; I274-I502 HydrophobicContact CD1-CB 3.98Å; I274-I502 HydrophobicContact CD1-CD1 3.52Å; I274-I502 HydrophobicContact CD1-CG1 4.33Å; I274-I502 HydrophobicContact CD1-CG2 3.5Å; I274-I502 VanDerWaalsContact CD1-CG2 3.5Å; I274-I502 HydrophobicContact CG1-CD1 4.12Å |
| 275 | D | 90 | Very high | 92.1 | Very high | 50 Ų | 50 | 41.9 Ų | 41.9 | 27% | 0.267 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.4 | -39.6 | 178.8 | -75.5 | -9.2 | 0 | 0 | 0 | 111.4 | I48 N52 F57 E271 A278 Q279 | I48-D275 HydrophobicContact CG2-CB 3.87Å; N52-D275 WeakPolarHBondContact ND2-CB 3.45Å; N52-D275 PolarHBondContact ND2-OD2 2.83Å; F57-D275 HydrophobicContact CE2-CB 4.28Å; E271-D275 WeakPolarHBondContact O-CB 3.31Å; E271-D275 PolarHBondContact O-N 3.4Å; D275-A278 PolarHBondContact O-N 3.28Å; D275-Q279 WeakPolarHBondContact O-CB 3.05Å; D275-Q279 PolarHBondContact O-N 2.94Å |
| 276 | A | 92.9 | Very high | 92 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.3 | -46 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F57 P60 M64 V272 I274 Q279 I280 | F57-A276 HydrophobicContact CE2-CB 3.76Å; F57-A276 HydrophobicContact CZ-CB 3.88Å; P60-A276 HydrophobicContact CB-CB 3.85Å; P60-A276 HydrophobicContact CG-CB 4.32Å; M64-A276 HydrophobicContact CG-CB 4.27Å; V272-A276 WeakPolarHBondContact O-CB 3.14Å; V272-A276 PolarHBondContact O-N 3.07Å; V272-A276 VanDerWaalsContact O-N 3.13Å; I274-A276 VanDerWaalsContact C-N 3.33Å; I274-A276 PolarHBondContact O-N 2.82Å; A276-Q279 PolarHBondContact O-N 3.04Å; A276-I280 WeakPolarHBondContact O-CG1 3.38Å; A276-I280 PolarHBondContact O-N 3.36Å; A276-I280 VanDerWaalsContact O-N 3.1Å |
| 277 | A | 90 | Very high | 92 | Very high | 10 Ų | 10 | 32.9 Ų | 32.9 | 8% | 0.083 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.7 | -45.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | M64 W273 I274 I280 F281 | M64-A277 HydrophobicContact CE-CB 4.14Å; M64-A277 HydrophobicContact CG-CB 3.92Å; M64-A277 HydrophobicContact SD-CB 3.76Å; W273-A277 PolarHBondContact O-N 3.26Å; I274-A277 PolarHBondContact O-N 3.37Å; A277-I280 PolarHBondContact O-N 2.8Å; A277-F281 WeakPolarHBondContact O-CD2 3.45Å; A277-F281 WeakPolarHBondContact O-CG 3.3Å; A277-F281 PolarHBondContact O-N 2.85Å |
| 278 | A | 89.2 | Confident | 92 | Very high | 23 Ų | 23 | 31.5 Ų | 31.5 | 19% | 0.19 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.7 | -50.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | I274 D275 I280 F281 F282 | I274-A278 WeakPolarHBondContact O-CB 3.46Å; I274-A278 PolarHBondContact O-N 3.05Å; D275-A278 PolarHBondContact O-N 3.28Å; A278-I280 VanDerWaalsContact C-N 3.3Å; A278-I280 PolarHBondContact O-N 3.23Å; A278-F281 PolarHBondContact O-N 3.34Å; A278-F282 HydrophobicContact CB-CD2 4.24Å; A278-F282 HydrophobicContact CB-CE2 4.22Å; A278-F282 WeakPolarHBondContact O-CD2 3.28Å; A278-F282 PolarHBondContact O-N 3.41Å |
| 279 | Q | 92.9 | Very high | 92.1 | Very high | 4 Ų | 4 | 23.9 Ų | 23.9 | 2% | 0.019 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -57.2 | -42.3 | 179.7 | -177 | 61.1 | 41.4 | 0 | 0 | 112.2 | F45 Y61 D275 A276 S283 | F45-Q279 HydrophobicContact CB-CG 4.47Å; F45-Q279 HydrophobicContact CD2-CG 4.05Å; Y61-Q279 HydrophobicContact CD2-CG 4.43Å; Y61-Q279 HydrophobicContact CE2-CG 3.91Å; D275-Q279 WeakPolarHBondContact O-CB 3.05Å; D275-Q279 PolarHBondContact O-N 2.94Å; A276-Q279 PolarHBondContact O-N 3.04Å; Q279-S283 WeakPolarHBondContact O-CB 3.43Å; Q279-S283 PolarHBondContact O-N 2.98Å |
| 280 | I | 94 | Very high | 92.4 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -65.9 | -44.6 | 177.6 | -71.7 | -63.3 | 0 | 0 | 0 | 112.1 | Y61 M64 F65 A276 A277 A278 L284 | Y61-I280 HydrophobicContact CD1-CD1 4.49Å; Y61-I280 HydrophobicContact CD2-CD1 3.69Å; Y61-I280 HydrophobicContact CD2-CG1 3.9Å; Y61-I280 HydrophobicContact CE1-CD1 4.13Å; Y61-I280 HydrophobicContact CE2-CD1 3.25Å; Y61-I280 HydrophobicContact CE2-CG1 3.85Å; Y61-I280 HydrophobicContact CG-CD1 4.29Å; Y61-I280 VanDerWaalsContact CZ-CD1 3.5Å; M64-I280 HydrophobicContact CB-CG1 4.16Å; F65-I280 HydrophobicContact CB-CD1 3.74Å; F65-I280 HydrophobicContact CB-CG1 4.33Å; A276-I280 WeakPolarHBondContact O-CG1 3.38Å; A276-I280 PolarHBondContact O-N 3.36Å; A276-I280 VanDerWaalsContact O-N 3.1Å; A277-I280 PolarHBondContact O-N 2.8Å; A278-I280 VanDerWaalsContact C-N 3.3Å; A278-I280 PolarHBondContact O-N 3.23Å; I280-L284 HydrophobicContact CG2-CD1 4.02Å; I280-L284 WeakPolarHBondContact O-CB 3.24Å; I280-L284 PolarHBondContact O-N 3.31Å |
| 281 | F | 91 | Very high | 92.8 | Very high | 12 Ų | 12 | 16.2 Ų | 16.2 | 5% | 0.053 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -70.2 | -41.8 | -178.2 | -66.9 | -28.6 | 0 | 0 | 0 | 112.9 | C68 L72 A277 A278 G285 L449 V496 | C68-F281 HydrophobicContact CB-CE1 3.61Å; C68-F281 HydrophobicContact CB-CZ 3.66Å; L72-F281 HydrophobicContact CD1-CD1 4.4Å; L72-F281 HydrophobicContact CD1-CE1 3.68Å; L72-F281 HydrophobicContact CD1-CZ 4.07Å; A277-F281 WeakPolarHBondContact O-CD2 3.45Å; A277-F281 WeakPolarHBondContact O-CG 3.3Å; A277-F281 PolarHBondContact O-N 2.85Å; A278-F281 PolarHBondContact O-N 3.34Å; F281-G285 WeakPolarHBondContact O-CA 3.23Å; F281-G285 PolarHBondContact O-N 3.31Å; F281-L449 HydrophobicContact CB-CD2 4.13Å; F281-L449 HydrophobicContact CD2-CD2 3.47Å; F281-L449 VanDerWaalsContact CD2-CD2 3.47Å; F281-L449 HydrophobicContact CE2-CD2 4.23Å; F281-L449 HydrophobicContact CG-CD2 4.19Å; F281-V496 HydrophobicContact CE2-CG2 4.35Å |
| 282 | F | 90 | Very high | 93.2 | Very high | 23 Ų | 23 | 11.6 Ų | 11.6 | 10% | 0.101 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -66.8 | -40.3 | 175.9 | -75.7 | -69.3 | 0 | 0 | 0 | 112.1 | A278 F288 V444 S445 V448 L449 | A278-F282 HydrophobicContact CB-CD2 4.24Å; A278-F282 HydrophobicContact CB-CE2 4.22Å; A278-F282 WeakPolarHBondContact O-CD2 3.28Å; A278-F282 PolarHBondContact O-N 3.41Å; F282-F288 HydrophobicContact CD1-CE2 4.32Å; F282-F288 HydrophobicContact CD1-CZ 4.17Å; F282-F288 HydrophobicContact CE1-CZ 4.4Å; F282-V444 HydrophobicContact CE1-CG1 4.45Å; F282-S445 VanDerWaalsContact CZ-CA 3.41Å; F282-S445 WeakPolarHBondContact CZ-OG 3.32Å; F282-V448 HydrophobicContact CD1-CG1 4.45Å; F282-V448 HydrophobicContact CE1-CG1 3.56Å; F282-V448 HydrophobicContact CZ-CG1 3.82Å; F282-L449 HydrophobicContact CE2-CD1 4.46Å; F282-L449 HydrophobicContact CZ-CD1 4.47Å |
| 283 | S | 94.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 11.6 Ų | 11.6 | 1% | 0.007 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -73.6 | -47.1 | -177.8 | 174.1 | 0 | 0 | 0 | 0 | 112.3 | S36 N41 Q279 G285 N315 | S36-S283 CarbonylContact C-O 3.56Å; S36-S283 WeakPolarHBondContact CA-O 3.41Å; S36-S283 CarbonylContact O-C 3.49Å; S36-S283 PolarHBondContact O-OG 2.66Å; S36-S283 VanDerWaalsContact O-OG 3.12Å; N41-S283 PolarHBondContact ND2-OG 3.02Å; N41-S283 VanDerWaalsContact ND2-OG 3.11Å; N41-S283 PolarHBondContact OD1-OG 2.63Å; Q279-S283 WeakPolarHBondContact O-CB 3.43Å; Q279-S283 PolarHBondContact O-N 2.98Å; S283-G285 VanDerWaalsContact C-N 3.3Å; S283-G285 PolarHBondContact O-N 3.36Å; S283-N315 PolarHBondContact OG-ND2 2.77Å; S283-N315 PolarHBondContact OG-OD1 2.95Å |
| 284 | L | 95.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -72.1 | -26.9 | 177.2 | -72.3 | 179.5 | 0 | 0 | 0 | 112.9 | F35 F65 F73 I280 P286 N315 | F35-L284 WeakPolarHBondContact CE1-O 3.37Å; F65-L284 HydrophobicContact CD2-CD1 4.12Å; F65-L284 HydrophobicContact CE2-CD1 4.33Å; F73-L284 HydrophobicContact CD2-CB 3.95Å; F73-L284 HydrophobicContact CD2-CD2 4.18Å; F73-L284 HydrophobicContact CD2-CG 4.48Å; F73-L284 HydrophobicContact CE2-CB 4.48Å; F73-L284 HydrophobicContact CE2-CD2 4.32Å; F73-L284 WeakPolarHBondContact CE2-O 3.41Å; I280-L284 HydrophobicContact CG2-CD1 4.02Å; I280-L284 WeakPolarHBondContact O-CB 3.24Å; I280-L284 PolarHBondContact O-N 3.31Å; L284-P286 HydrophobicContact CB-CG 4.45Å; L284-N315 HydrophobicContact CD2-CB 3.96Å; L284-N315 WeakPolarHBondContact CD2-ND2 2.96Å |
| 285 | G | 93.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 4% | 0.038 | C | C | . | . | trans | 77.7 | 21.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | F281 S283 F288 | F281-G285 WeakPolarHBondContact O-CA 3.23Å; F281-G285 PolarHBondContact O-N 3.31Å; S283-G285 VanDerWaalsContact C-N 3.3Å; S283-G285 PolarHBondContact O-N 3.36Å; G285-F288 WeakPolarHBondContact O-CD2 3.45Å; G285-F288 PolarHBondContact O-N 3.33Å | ||
| 286 | P | 93.7 | Very high | 94.5 | Very high | 2 Ų | 2 | 4.3 Ų | 4.3 | 1% | 0.013 | 3% | 0.026 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | 140.5 | 164.7 | -24.3 | 34.3 | 0 | 0 | 0 | 112.5 | L72 E76 L284 L291 V452 | L72-P286 HydrophobicContact CB-CB 4.04Å; L72-P286 HydrophobicContact CB-CG 4.02Å; E76-P286 VanDerWaalsContact OE1-C 3.32Å; E76-P286 WeakPolarHBondContact OE1-CA 3.49Å; E76-P286 WeakPolarHBondContact OE1-CB 3.46Å; L284-P286 HydrophobicContact CB-CG 4.45Å; P286-L291 HydrophobicContact CG-CD1 4.19Å; P286-V452 HydrophobicContact CB-CG2 3.77Å |
| 287 | G | 92.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 4.6 Ų | 4.6 | 0% | 0 | 3% | 0.027 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.5 | -15.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | E76 T105 G289 V451 | E76-G287 PolarHBondContact OE1-N 3.44Å; T105-G287 WeakPolarHBondContact CG2-O 3.23Å; G287-G289 VanDerWaalsContact C-N 3.29Å; G287-V451 WeakPolarHBondContact O-CG1 3.39Å |
| 288 | F | 95.7 | Very high | 94.8 | Very high | 9 Ų | 9 | 4.4 Ų | 4.4 | 4% | 0.039 | 3% | 0.025 | C | C | . | . | S | Bend | trans | -82.3 | -5.9 | 172.3 | -68.4 | -83 | 0 | 0 | 0 | 112.3 | F35 T105 I108 D109 M112 F282 G285 V290 V444 V448 | F35-F288 HydrophobicContact CZ-CB 4.38Å; T105-F288 VanDerWaalsContact CG2-O 3.24Å; T105-F288 WeakPolarHBondContact CG2-O 3.23Å; I108-F288 HydrophobicContact CG2-CD1 4.01Å; I108-F288 HydrophobicContact CG2-CE1 3.8Å; D109-F288 WeakPolarHBondContact OD1-CD1 3.48Å; M112-F288 HydrophobicContact CE-CE1 4.11Å; M112-F288 HydrophobicContact CE-CZ 3.94Å; F282-F288 HydrophobicContact CD1-CE2 4.32Å; F282-F288 HydrophobicContact CD1-CZ 4.17Å; F282-F288 HydrophobicContact CE1-CZ 4.4Å; G285-F288 WeakPolarHBondContact O-CD2 3.45Å; G285-F288 PolarHBondContact O-N 3.33Å; F288-V290 HydrophobicContact CB-CG2 3.88Å; F288-V290 PolarHBondContact O-N 2.95Å; F288-V444 HydrophobicContact CE1-CG1 3.91Å; F288-V444 HydrophobicContact CZ-CG1 4.01Å; F288-V448 HydrophobicContact CD1-CG2 4.34Å; F288-V448 HydrophobicContact CD2-CG2 3.84Å; F288-V448 HydrophobicContact CE1-CG2 4.26Å; F288-V448 HydrophobicContact CE2-CG2 3.75Å; F288-V448 HydrophobicContact CG-CG2 4.16Å; F288-V448 HydrophobicContact CZ-CB 4.37Å; F288-V448 HydrophobicContact CZ-CG1 4.47Å; F288-V448 HydrophobicContact CZ-CG2 3.97Å |
| 289 | G | 96.7 | Very high | 94.8 | Very high | 1 Ų | 1 | 7 Ų | 7 | 1% | 0.01 | 4% | 0.035 | C | C | . | . | S | Bend | trans | 67.2 | 0.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | G287 I292 A293 | G287-G289 VanDerWaalsContact C-N 3.29Å; G289-I292 PolarHBondContact O-N 2.89Å; G289-A293 WeakPolarHBondContact O-CB 3.09Å; G289-A293 PolarHBondContact O-N 3.37Å |
| 290 | V | 97.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -63.3 | -46.6 | 176.3 | 175.5 | 0 | 0 | 0 | 0 | 111 | F35 F288 I292 A293 L294 A388 A392 | F35-V290 HydrophobicContact CB-CG1 4.45Å; F35-V290 HydrophobicContact CD1-CB 4.27Å; F35-V290 HydrophobicContact CD1-CG1 3.68Å; F35-V290 HydrophobicContact CD2-CB 4.37Å; F35-V290 HydrophobicContact CD2-CG1 3.74Å; F35-V290 HydrophobicContact CD2-CG2 4.4Å; F35-V290 HydrophobicContact CE1-CB 3.78Å; F35-V290 HydrophobicContact CE1-CG1 3.72Å; F35-V290 HydrophobicContact CE1-CG2 4.45Å; F35-V290 HydrophobicContact CE2-CB 3.9Å; F35-V290 HydrophobicContact CE2-CG1 3.78Å; F35-V290 HydrophobicContact CE2-CG2 3.72Å; F35-V290 HydrophobicContact CG-CG1 3.67Å; F35-V290 HydrophobicContact CZ-CB 3.56Å; F35-V290 HydrophobicContact CZ-CG1 3.76Å; F35-V290 HydrophobicContact CZ-CG2 3.73Å; F288-V290 HydrophobicContact CB-CG2 3.88Å; F288-V290 PolarHBondContact O-N 2.95Å; V290-I292 VanDerWaalsContact C-N 3.3Å; V290-I292 PolarHBondContact O-N 3.48Å; V290-A293 PolarHBondContact O-N 2.88Å; V290-A293 VanDerWaalsContact O-N 3.11Å; V290-L294 HydrophobicContact CG1-CD1 3.7Å; V290-L294 HydrophobicContact CG1-CG 4.02Å; V290-L294 WeakPolarHBondContact O-CG 3.25Å; V290-L294 PolarHBondContact O-N 3.05Å; V290-A388 HydrophobicContact CG1-CB 3.52Å; V290-A392 HydrophobicContact CB-CB 4.45Å; V290-A392 HydrophobicContact CG2-CB 3.87Å |
| 291 | L | 98 | Very high | 94.6 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.5 | -40.4 | -179.6 | -54.7 | 179.2 | 0 | 0 | 0 | 111 | L32 F35 F73 E76 L77 P286 S295 | L32-L291 HydrophobicContact CD2-CD2 3.94Å; F35-L291 HydrophobicContact CD1-CD2 3.8Å; F35-L291 HydrophobicContact CE1-CD2 3.77Å; F35-L291 HydrophobicContact CE1-CG 4.2Å; F73-L291 HydrophobicContact CB-CD1 4.25Å; F73-L291 HydrophobicContact CD1-CD1 4.48Å; F73-L291 HydrophobicContact CD2-CD1 3.28Å; F73-L291 HydrophobicContact CD2-CD2 3.91Å; F73-L291 HydrophobicContact CD2-CG 4.24Å; F73-L291 HydrophobicContact CE1-CD2 4.47Å; F73-L291 HydrophobicContact CE2-CD1 3.68Å; F73-L291 HydrophobicContact CE2-CD2 3.32Å; F73-L291 HydrophobicContact CE2-CG 4.14Å; F73-L291 HydrophobicContact CG-CD1 3.76Å; F73-L291 HydrophobicContact CZ-CD1 4.42Å; F73-L291 HydrophobicContact CZ-CD2 3.65Å; E76-L291 HydrophobicContact CB-CB 3.71Å; E76-L291 HydrophobicContact CB-CD1 4.13Å; E76-L291 WeakPolarHBondContact OE2-CB 3.5Å; L77-L291 HydrophobicContact CD2-CB 3.98Å; L77-L291 HydrophobicContact CD2-CD2 4.5Å; P286-L291 HydrophobicContact CG-CD1 4.19Å; L291-S295 WeakPolarHBondContact O-CB 3.02Å; L291-S295 PolarHBondContact O-N 3.26Å; L291-S295 PolarHBondContact O-OG 2.83Å |
| 292 | I | 97.7 | Very high | 94.7 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -58.4 | -52.4 | 171.4 | -62.4 | 165.9 | 0 | 0 | 0 | 109.5 | E76 G80 C85 C87 L90 G289 V290 S295 S296 | E76-I292 HydrophobicContact CB-CG1 3.93Å; E76-I292 HydrophobicContact CG-CD1 4.11Å; E76-I292 HydrophobicContact CG-CG1 3.9Å; G80-I292 WeakPolarHBondContact CA-O 3.19Å; C85-I292 WeakPolarHBondContact O-CG2 3.44Å; C87-I292 HydrophobicContact CB-CD1 4.41Å; L90-I292 HydrophobicContact CD2-CD1 3.62Å; L90-I292 HydrophobicContact CD2-CG1 4.36Å; L90-I292 HydrophobicContact CD2-CG2 4.23Å; G289-I292 PolarHBondContact O-N 2.89Å; V290-I292 VanDerWaalsContact C-N 3.3Å; V290-I292 PolarHBondContact O-N 3.48Å; I292-S295 PolarHBondContact O-OG 3.12Å; I292-S295 VanDerWaalsContact O-OG 3.11Å; I292-S296 WeakPolarHBondContact O-CB 3.26Å; I292-S296 PolarHBondContact O-N 3.18Å; I292-S296 PolarHBondContact O-OG 3.42Å |
| 293 | A | 97.1 | Very high | 95 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.6 | -50.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | G289 V290 S296 Y297 A392 T395 | G289-A293 WeakPolarHBondContact O-CB 3.09Å; G289-A293 PolarHBondContact O-N 3.37Å; V290-A293 PolarHBondContact O-N 2.88Å; V290-A293 VanDerWaalsContact O-N 3.11Å; A293-S296 PolarHBondContact O-N 2.83Å; A293-S296 PolarHBondContact O-OG 3.46Å; A293-Y297 VanDerWaalsContact O-CD2 3.27Å; A293-Y297 WeakPolarHBondContact O-CD2 3.35Å; A293-A392 HydrophobicContact CB-CB 4.04Å; A293-T395 HydrophobicContact CB-CG2 4.18Å |
| 294 | L | 97.3 | Very high | 95 | Very high | 4 Ų | 4 | 21.8 Ų | 21.8 | 2% | 0.021 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.2 | -45.9 | -178.1 | -62.6 | 178.5 | 0 | 0 | 0 | 112 | W22 F28 A31 L32 V290 S296 Y297 A388 E391 | W22-L294 HydrophobicContact CH2-CD2 3.85Å; W22-L294 HydrophobicContact CZ2-CB 4.23Å; W22-L294 HydrophobicContact CZ2-CD2 3.59Å; W22-L294 HydrophobicContact CZ2-CG 4.49Å; W22-L294 PolarHBondContact NE1-O 2.94Å; F28-L294 HydrophobicContact CD2-CB 4.46Å; F28-L294 HydrophobicContact CE2-CB 4.02Å; A31-L294 HydrophobicContact CB-CD1 4.48Å; L32-L294 HydrophobicContact CD2-CB 4.34Å; L32-L294 HydrophobicContact CD2-CD1 3.94Å; V290-L294 HydrophobicContact CG1-CD1 3.7Å; V290-L294 HydrophobicContact CG1-CG 4.02Å; V290-L294 WeakPolarHBondContact O-CG 3.25Å; V290-L294 PolarHBondContact O-N 3.05Å; L294-S296 VanDerWaalsContact C-N 3.26Å; L294-S296 PolarHBondContact O-N 3.32Å; L294-Y297 PolarHBondContact O-N 3.29Å; L294-A388 HydrophobicContact CD1-CB 4.34Å; L294-E391 HydrophobicContact CD2-CG 4.47Å |
| 295 | S | 97.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -68 | -28.9 | 179.4 | 62.7 | 0 | 0 | 0 | 0 | 112.6 | L77 G80 Q81 L291 I292 Y297 N298 | L77-S295 WeakPolarHBondContact O-CB 3.44Å; L77-S295 PolarHBondContact O-OG 2.82Å; G80-S295 VanDerWaalsContact CA-OG 3.31Å; G80-S295 WeakPolarHBondContact CA-OG 3.46Å; Q81-S295 PolarHBondContact N-OG 3.04Å; L291-S295 WeakPolarHBondContact O-CB 3.02Å; L291-S295 PolarHBondContact O-N 3.26Å; L291-S295 PolarHBondContact O-OG 2.83Å; I292-S295 PolarHBondContact O-OG 3.12Å; I292-S295 VanDerWaalsContact O-OG 3.11Å; S295-Y297 PolarHBondContact O-N 3.45Å; S295-Y297 VanDerWaalsContact O-N 3.15Å; S295-N298 VanDerWaalsContact O-CB 3.26Å; S295-N298 WeakPolarHBondContact O-CB 3.23Å; S295-N298 PolarHBondContact O-N 3.28Å |
| 296 | S | 96.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.2 | -21.3 | 179 | 77 | 0 | 0 | 0 | 0 | 112.1 | R19 G80 R84 I292 A293 L294 | R19-S296 PolarHBondContact NH1-O 3.04Å; R19-S296 PolarHBondContact NH1-OG 3.36Å; R19-S296 PolarHBondContact NH2-OG 2.89Å; G80-S296 WeakPolarHBondContact O-CA 3.31Å; G80-S296 WeakPolarHBondContact O-CB 3.39Å; R84-S296 WeakPolarHBondContact CD-O 3.25Å; R84-S296 PolarHBondContact NE-O 2.97Å; R84-S296 VanDerWaalsContact NE-O 3.09Å; R84-S296 PolarHBondContact NH1-O 3.02Å; I292-S296 WeakPolarHBondContact O-CB 3.26Å; I292-S296 PolarHBondContact O-N 3.18Å; I292-S296 PolarHBondContact O-OG 3.42Å; A293-S296 PolarHBondContact O-N 2.83Å; A293-S296 PolarHBondContact O-OG 3.46Å; L294-S296 VanDerWaalsContact C-N 3.26Å; L294-S296 PolarHBondContact O-N 3.32Å |
| 297 | Y | 95.2 | Very high | 95.3 | Very high | 6 Ų | 6 | 35.2 Ų | 35.2 | 2% | 0.024 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -5.9 | 173 | -63.9 | -62.5 | 0 | 0 | 0 | 114.1 | R19 L20 K21 R84 P221 A293 L294 S295 E391 T395 R409 | R19-Y297 HydrophobicContact CG-CD1 4.26Å; R19-Y297 HydrophobicContact CG-CE1 4.32Å; L20-Y297 HydrophobicContact CB-CD1 4.19Å; L20-Y297 HydrophobicContact CB-CE1 4.15Å; L20-Y297 VanDerWaalsContact O-CD1 3.25Å; L20-Y297 WeakPolarHBondContact O-CD1 3.41Å; K21-Y297 WeakPolarHBondContact CA-O 3.35Å; R84-Y297 PolarHBondContact NH1-O 3.09Å; P221-Y297 HydrophobicContact CB-CD2 4.27Å; P221-Y297 HydrophobicContact CB-CG 4.31Å; P221-Y297 HydrophobicContact CG-CD1 3.99Å; P221-Y297 HydrophobicContact CG-CD2 4.17Å; P221-Y297 HydrophobicContact CG-CE1 4.17Å; P221-Y297 HydrophobicContact CG-CE2 4.36Å; P221-Y297 HydrophobicContact CG-CG 3.96Å; A293-Y297 VanDerWaalsContact O-CD2 3.27Å; A293-Y297 WeakPolarHBondContact O-CD2 3.35Å; L294-Y297 PolarHBondContact O-N 3.29Å; S295-Y297 PolarHBondContact O-N 3.45Å; S295-Y297 VanDerWaalsContact O-N 3.15Å; Y297-E391 HydrophobicContact CE2-CG 4.21Å; Y297-E391 WeakPolarHBondContact CE2-OE1 3.28Å; Y297-E391 VanDerWaalsContact CZ-OE1 3.26Å; Y297-E391 PolarHBondContact OH-OE1 2.9Å; Y297-T395 HydrophobicContact CE2-CG2 4.4Å; Y297-T395 PolarHBondContact OH-OG1 3.4Å; Y297-R409 PolarHBondContact OH-NH1 2.87Å; Y297-R409 VanDerWaalsContact OH-NH1 3.09Å |
| 298 | N | 93.8 | Very high | 95.5 | Very high | 7 Ų | 7 | 35.3 Ų | 35.3 | 4% | 0.037 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -77.6 | 150.4 | 178.8 | -74.1 | -22.9 | 0 | 0 | 0 | 115.7 | F28 Q81 R84 S295 K300 N302 | F28-N298 VanDerWaalsContact CD1-ND2 3.29Å; F28-N298 WeakPolarHBondContact CD1-ND2 3.09Å; F28-N298 WeakPolarHBondContact CD2-OD1 3.19Å; F28-N298 WeakPolarHBondContact CE1-ND2 3.29Å; F28-N298 VanDerWaalsContact CE2-ND2 3.34Å; F28-N298 WeakPolarHBondContact CE2-ND2 3.5Å; F28-N298 WeakPolarHBondContact CG-OD1 3.35Å; F28-N298 WeakPolarHBondContact CZ-ND2 3.2Å; Q81-N298 HydrophobicContact CG-CB 4.4Å; R84-N298 PolarHBondContact NH1-O 2.85Å; S295-N298 VanDerWaalsContact O-CB 3.26Å; S295-N298 WeakPolarHBondContact O-CB 3.23Å; S295-N298 PolarHBondContact O-N 3.28Å; N298-K300 PolarHBondContact O-N 2.98Å; N298-N302 HydrophobicContact CB-CB 3.97Å; N298-N302 PolarHBondContact ND2-ND2 2.88Å |
| 299 | D | 91.1 | Very high | 95.5 | Very high | 77 Ų | 77 | 39.5 Ų | 39.5 | 41% | 0.412 | 17% | 0.171 | S | C | . | . | trans | -49.9 | 142.7 | 166.2 | -70.2 | -44 | 0 | 0 | 0 | 112.3 | K21 Q81 Y301 N302 | K21-D299 WeakPolarHBondContact CD-OD1 3.36Å; K21-D299 WeakPolarHBondContact CE-OD1 3.27Å; K21-D299 IonicContact NZ-OD1 3.85Å; K21-D299 PolarHBondContact NZ-OD1 3.33Å; Q81-D299 PolarHBondContact NE2-O 2.89Å; D299-Y301 PolarHBondContact O-N 3.1Å; D299-N302 WeakPolarHBondContact O-CB 3.41Å; D299-N302 PolarHBondContact O-N 3.3Å | ||
| 300 | K | 89 | Confident | 95.6 | Very high | 108 Ų | 108 | 42.2 Ų | 42.2 | 47% | 0.47 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -32.8 | -175 | -175.8 | 176.7 | 179.9 | 179.3 | 0 | 113.7 | Q81 N298 M475 | Q81-K300 PolarHBondContact NE2-O 2.97Å; N298-K300 PolarHBondContact O-N 2.98Å; K300-M475 WeakPolarHBondContact O-CG 3.43Å |
| 301 | Y | 92.5 | Very high | 95.6 | Very high | 163 Ų | 163 | 42.2 Ų | 42.2 | 64% | 0.639 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.2 | 18.2 | -177 | -51 | -71 | 0 | 0 | 0 | 113.1 | D299 | D299-Y301 PolarHBondContact O-N 3.1Š|
| 302 | N | 93.7 | Very high | 95.6 | Very high | 6 Ų | 6 | 42.2 Ų | 42.2 | 3% | 0.032 | 19% | 0.185 | C | C | . | . | trans | -64.4 | 143.1 | 174.2 | -177.1 | 64.6 | 0 | 0 | 0 | 110.5 | K25 Q81 N298 D299 F304 D307 | K25-N302 WeakPolarHBondContact CD-OD1 3.32Å; K25-N302 WeakPolarHBondContact CE-OD1 3.35Å; Q81-N302 PolarHBondContact NE2-O 3.34Å; Q81-N302 PolarHBondContact OE1-O 3.32Å; N298-N302 HydrophobicContact CB-CB 3.97Å; N298-N302 PolarHBondContact ND2-ND2 2.88Å; D299-N302 WeakPolarHBondContact O-CB 3.41Å; D299-N302 PolarHBondContact O-N 3.3Å; N302-F304 VanDerWaalsContact C-N 3.29Å; N302-F304 PolarHBondContact O-N 3.03Å; N302-D307 PolarHBondContact ND2-OD2 2.95Å | ||
| 303 | N | 95.2 | Very high | 95.6 | Very high | 74 Ų | 74 | 46 Ų | 46 | 40% | 0.396 | 20% | 0.199 | S | C | . | . | trans | -84.9 | 71.8 | -174.6 | -171 | -8.2 | 0 | 0 | 0 | 111.2 | Y305 R306 D307 | N303-Y305 PolarHBondContact O-N 3.4Å; N303-Y305 VanDerWaalsContact O-N 3.15Å; N303-Y305 WeakPolarHBondContact OD1-CB 3.42Å; N303-Y305 PolarHBondContact OD1-N 2.91Å; N303-R306 HydrophobicContact CB-CB 4.41Å; N303-R306 WeakPolarHBondContact O-CB 3.48Å; N303-R306 PolarHBondContact O-N 3.12Å; N303-R306 VanDerWaalsContact O-N 3.08Å; N303-R306 PolarHBondContact OD1-N 3.43Å; N303-D307 PolarHBondContact O-N 3.17Å | ||
| 304 | F | 95.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.7 | -17.5 | 179.2 | 65.5 | -93.7 | 0 | 0 | 0 | 113.6 | Y74 L77 A78 N302 D307 A308 V472 M475 L476 | Y74-F304 HydrophobicContact CD1-CE2 4.19Å; Y74-F304 HydrophobicContact CD2-CD2 4.09Å; Y74-F304 HydrophobicContact CD2-CE2 4.04Å; Y74-F304 AromaticContact CE1-CE2 3.69Å; Y74-F304 HydrophobicContact CE1-CE2 3.69Å; Y74-F304 HydrophobicContact CE1-CZ 4.48Å; Y74-F304 AromaticContact CE2-CD2 3.82Å; Y74-F304 HydrophobicContact CE2-CD2 3.82Å; Y74-F304 AromaticContact CE2-CE2 3.46Å; Y74-F304 HydrophobicContact CE2-CE2 3.46Å; Y74-F304 VanDerWaalsContact CE2-CE2 3.46Å; Y74-F304 HydrophobicContact CE2-CZ 4.47Å; Y74-F304 HydrophobicContact CG-CE2 4.39Å; Y74-F304 AromaticContact CZ-CE2 3.31Å; L77-F304 HydrophobicContact CB-CB 4.08Å; L77-F304 HydrophobicContact CB-CD2 4.24Å; L77-F304 HydrophobicContact CB-CG 4.45Å; L77-F304 HydrophobicContact CD1-CB 4.31Å; A78-F304 HydrophobicContact CB-CD2 4.27Å; A78-F304 HydrophobicContact CB-CE2 3.5Å; A78-F304 VanDerWaalsContact CB-CE2 3.5Å; A78-F304 HydrophobicContact CB-CZ 3.67Å; N302-F304 VanDerWaalsContact C-N 3.29Å; N302-F304 PolarHBondContact O-N 3.03Å; F304-D307 PolarHBondContact O-N 3.23Å; F304-A308 VanDerWaalsContact O-CB 3.28Å; F304-A308 WeakPolarHBondContact O-CB 3.48Å; F304-A308 PolarHBondContact O-N 2.9Å; F304-V472 HydrophobicContact CZ-CG1 4.15Å; F304-V472 HydrophobicContact CZ-CG2 4.27Å; F304-M475 HydrophobicContact CE1-CB 4.1Å; F304-M475 HydrophobicContact CE1-CE 3.76Å; F304-M475 HydrophobicContact CE1-SD 4.19Å; F304-M475 HydrophobicContact CZ-CE 3.93Å; F304-L476 HydrophobicContact CD1-CD1 4.39Å; F304-L476 HydrophobicContact CD1-CD2 3.92Å; F304-L476 HydrophobicContact CD1-CG 4.23Å; F304-L476 HydrophobicContact CE1-CD1 3.78Å; F304-L476 HydrophobicContact CE1-CD2 3.76Å; F304-L476 HydrophobicContact CE1-CG 3.57Å; F304-L476 HydrophobicContact CE2-CD1 3.99Å; F304-L476 HydrophobicContact CZ-CD1 3.55Å; F304-L476 HydrophobicContact CZ-CD2 4.4Å; F304-L476 HydrophobicContact CZ-CG 3.83Å |
| 305 | Y | 95.1 | Very high | 95.7 | Very high | 109 Ų | 109 | 47.8 Ų | 47.8 | 43% | 0.427 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.5 | -48.4 | 170.4 | 174.3 | -99.8 | 0 | 0 | 0 | 111.2 | Y74 N303 D307 A308 F309 | Y74-Y305 HydrophobicContact CD2-CD2 4.06Å; Y74-Y305 AromaticContact CE2-CD2 3.63Å; Y74-Y305 HydrophobicContact CE2-CD2 3.63Å; Y74-Y305 HydrophobicContact CE2-CG 4.18Å; N303-Y305 PolarHBondContact O-N 3.4Å; N303-Y305 VanDerWaalsContact O-N 3.15Å; N303-Y305 WeakPolarHBondContact OD1-CB 3.42Å; N303-Y305 PolarHBondContact OD1-N 2.91Å; Y305-D307 VanDerWaalsContact C-N 3.31Å; Y305-A308 PolarHBondContact O-N 3.2Å; Y305-F309 WeakPolarHBondContact O-CB 3.38Å; Y305-F309 PolarHBondContact O-N 2.82Å |
| 306 | R | 96.3 | Very high | 95.8 | Very high | 162 Ų | 162 | 47.8 Ų | 47.8 | 61% | 0.611 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -62.5 | -43.1 | 176.5 | 179.5 | -175.8 | 174.3 | -173.4 | -1.8 | 110.4 | N303 F309 L310 | N303-R306 HydrophobicContact CB-CB 4.41Å; N303-R306 WeakPolarHBondContact O-CB 3.48Å; N303-R306 PolarHBondContact O-N 3.12Å; N303-R306 VanDerWaalsContact O-N 3.08Å; N303-R306 PolarHBondContact OD1-N 3.43Å; R306-F309 PolarHBondContact O-N 2.74Å; R306-L310 VanDerWaalsContact O-CB 3.23Å; R306-L310 WeakPolarHBondContact O-CB 3.39Å; R306-L310 PolarHBondContact O-N 2.77Å |
| 307 | D | 97.2 | Very high | 95.8 | Very high | 13 Ų | 13 | 52.5 Ų | 52.5 | 7% | 0.07 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.2 | -45.9 | -178.5 | -56 | -31.6 | 0 | 0 | 0 | 110.6 | F28 L32 N302 N303 F304 Y305 F309 L310 V311 | F28-D307 HydrophobicContact CE1-CB 4.07Å; F28-D307 WeakPolarHBondContact CE1-OD2 3.47Å; L32-D307 HydrophobicContact CD1-CB 4.13Å; N302-D307 PolarHBondContact ND2-OD2 2.95Å; N303-D307 PolarHBondContact O-N 3.17Å; F304-D307 PolarHBondContact O-N 3.23Å; Y305-D307 VanDerWaalsContact C-N 3.31Å; D307-F309 PolarHBondContact O-N 3.44Å; D307-L310 PolarHBondContact O-N 3.05Å; D307-V311 WeakPolarHBondContact O-CB 3.22Å; D307-V311 WeakPolarHBondContact O-CG2 3.31Å; D307-V311 PolarHBondContact O-N 2.97Å |
| 308 | A | 97.2 | Very high | 96 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.008 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.6 | -49 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L70 F73 Y74 L77 F304 Y305 G312 | L70-A308 HydrophobicContact CD1-CB 4.17Å; L70-A308 VanDerWaalsContact CD1-O 3.25Å; L70-A308 WeakPolarHBondContact CD1-O 3.21Å; F73-A308 HydrophobicContact CD1-CB 3.79Å; F73-A308 HydrophobicContact CE1-CB 4.28Å; Y74-A308 HydrophobicContact CD2-CB 4.28Å; L77-A308 HydrophobicContact CD1-CB 4.09Å; F304-A308 VanDerWaalsContact O-CB 3.28Å; F304-A308 WeakPolarHBondContact O-CB 3.48Å; F304-A308 PolarHBondContact O-N 2.9Å; Y305-A308 PolarHBondContact O-N 3.2Å; A308-G312 PolarHBondContact O-N 3.07Å |
| 309 | F | 97 | Very high | 96.1 | Very high | 98 Ų | 98 | 52.1 Ų | 52.1 | 43% | 0.43 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.2 | -46.9 | -179.5 | -176.5 | -91.6 | 0 | 0 | 0 | 111.8 | L70 Y305 R306 D307 W313 | L70-F309 HydrophobicContact CD2-CD2 4.36Å; Y305-F309 WeakPolarHBondContact O-CB 3.38Å; Y305-F309 PolarHBondContact O-N 2.82Å; R306-F309 PolarHBondContact O-N 2.74Å; D307-F309 PolarHBondContact O-N 3.44Å; F309-W313 AromaticContact CD1-CD1 3.92Å; F309-W313 AromaticContact CD2-CD1 3.99Å; F309-W313 AromaticContact CD2-NE1 3.98Å; F309-W313 AromaticContact CE1-CD1 3.58Å; F309-W313 AromaticContact CE1-NE1 3.9Å; F309-W313 AromaticContact CE2-CD1 3.67Å; F309-W313 AromaticContact CE2-NE1 3.3Å; F309-W313 VanDerWaalsContact CE2-NE1 3.3Å; F309-W313 AromaticContact CZ-CD1 3.45Å; F309-W313 VanDerWaalsContact CZ-CD1 3.45Å; F309-W313 AromaticContact CZ-NE1 3.26Å; F309-W313 VanDerWaalsContact CZ-NE1 3.26Å; F309-W313 VanDerWaalsContact O-CD1 3.28Å; F309-W313 PolarHBondContact O-N 3.02Å; F309-W313 VanDerWaalsContact O-N 3.12Å |
| 310 | L | 98.1 | Very high | 96.4 | Very high | 57 Ų | 57 | 49.6 Ų | 49.6 | 30% | 0.298 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.3 | -50.4 | -177.2 | -178.4 | 58.9 | 0 | 0 | 0 | 111.5 | L29 R306 D307 G312 W313 I314 | L29-L310 HydrophobicContact CD1-CD2 4.05Å; L29-L310 HydrophobicContact CD2-CD2 3.7Å; L29-L310 HydrophobicContact CG-CD2 4.49Å; R306-L310 VanDerWaalsContact O-CB 3.23Å; R306-L310 WeakPolarHBondContact O-CB 3.39Å; R306-L310 PolarHBondContact O-N 2.77Å; D307-L310 PolarHBondContact O-N 3.05Å; L310-G312 VanDerWaalsContact C-N 3.33Å; L310-G312 PolarHBondContact O-N 3.4Å; L310-W313 PolarHBondContact O-N 2.83Å; L310-I314 HydrophobicContact CD1-CD1 3.78Å; L310-I314 HydrophobicContact CD1-CG1 4.18Å; L310-I314 HydrophobicContact CG-CD1 3.75Å; L310-I314 HydrophobicContact CG-CG1 4.5Å; L310-I314 WeakPolarHBondContact O-CB 3.39Å; L310-I314 VanDerWaalsContact O-CG1 3.23Å; L310-I314 WeakPolarHBondContact O-CG1 3.38Å; L310-I314 PolarHBondContact O-N 2.91Å |
| 311 | V | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.9 | -42.7 | 179.3 | 176.5 | 0 | 0 | 0 | 0 | 110.5 | L29 L32 I33 F73 D307 W313 I314 N315 | L29-V311 HydrophobicContact CD1-CG2 3.58Å; L32-V311 HydrophobicContact CB-CG1 4.17Å; L32-V311 HydrophobicContact CB-CG2 3.65Å; L32-V311 HydrophobicContact CD1-CG2 4Å; I33-V311 HydrophobicContact CG1-CG2 4.07Å; F73-V311 HydrophobicContact CE1-CB 4.33Å; F73-V311 HydrophobicContact CE1-CG1 4.43Å; F73-V311 HydrophobicContact CE2-CG1 4.29Å; F73-V311 HydrophobicContact CZ-CB 4.09Å; F73-V311 HydrophobicContact CZ-CG1 3.71Å; D307-V311 WeakPolarHBondContact O-CB 3.22Å; D307-V311 WeakPolarHBondContact O-CG2 3.31Å; D307-V311 PolarHBondContact O-N 2.97Å; V311-W313 PolarHBondContact O-N 3.3Å; V311-I314 PolarHBondContact O-N 3.39Å; V311-N315 VanDerWaalsContact O-CB 3.26Å; V311-N315 WeakPolarHBondContact O-CB 3.02Å; V311-N315 PolarHBondContact O-N 2.93Å |
| 312 | G | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.2 | -46.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A308 L310 N315 C316 | A308-G312 PolarHBondContact O-N 3.07Å; L310-G312 VanDerWaalsContact C-N 3.33Å; L310-G312 PolarHBondContact O-N 3.4Å; G312-N315 WeakPolarHBondContact O-CB 3.37Å; G312-C316 PolarHBondContact O-N 3.14Å; G312-C316 PolarHBondContact O-SG 3.32Å; G312-C316 VanDerWaalsContact O-SG 3.4Å |
| 313 | W | 98.2 | Very high | 97 | Very high | 82 Ų | 82 | 38.3 Ų | 38.3 | 31% | 0.311 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -72 | -41 | 177.2 | -83.8 | 107.7 | 0 | 0 | 0 | 113.2 | F62 F65 F309 L310 V311 N315 C316 L317 | F62-W313 HydrophobicContact CD1-CH2 4.28Å; F62-W313 HydrophobicContact CD1-CZ3 4.13Å; F62-W313 HydrophobicContact CE1-CE3 4.27Å; F62-W313 HydrophobicContact CE1-CH2 4.1Å; F62-W313 AromaticContact CE1-CZ3 3.51Å; F62-W313 HydrophobicContact CE1-CZ3 3.51Å; F62-W313 HydrophobicContact CZ-CZ3 4.25Å; F65-W313 AromaticContact CE1-CD2 3.97Å; F65-W313 HydrophobicContact CE1-CD2 3.97Å; F65-W313 AromaticContact CE1-CE2 3.83Å; F65-W313 HydrophobicContact CE1-CE3 4.41Å; F65-W313 HydrophobicContact CE1-CG 4.33Å; F65-W313 HydrophobicContact CE1-CZ2 4.15Å; F65-W313 HydrophobicContact CZ-CD2 4.47Å; F65-W313 HydrophobicContact CZ-CG 4.36Å; F309-W313 AromaticContact CD1-CD1 3.92Å; F309-W313 AromaticContact CD2-CD1 3.99Å; F309-W313 AromaticContact CD2-NE1 3.98Å; F309-W313 AromaticContact CE1-CD1 3.58Å; F309-W313 AromaticContact CE1-NE1 3.9Å; F309-W313 AromaticContact CE2-CD1 3.67Å; F309-W313 AromaticContact CE2-NE1 3.3Å; F309-W313 VanDerWaalsContact CE2-NE1 3.3Å; F309-W313 AromaticContact CZ-CD1 3.45Å; F309-W313 VanDerWaalsContact CZ-CD1 3.45Å; F309-W313 AromaticContact CZ-NE1 3.26Å; F309-W313 VanDerWaalsContact CZ-NE1 3.26Å; F309-W313 VanDerWaalsContact O-CD1 3.28Å; F309-W313 PolarHBondContact O-N 3.02Å; F309-W313 VanDerWaalsContact O-N 3.12Å; L310-W313 PolarHBondContact O-N 2.83Å; V311-W313 PolarHBondContact O-N 3.3Å; W313-N315 PolarHBondContact O-N 3.04Å; W313-C316 PolarHBondContact O-N 3.32Å; W313-L317 WeakPolarHBondContact O-CB 3.38Å; W313-L317 VanDerWaalsContact O-CG 3.25Å; W313-L317 WeakPolarHBondContact O-CG 3.38Å; W313-L317 PolarHBondContact O-N 3.2Å |
| 314 | I | 98.4 | Very high | 97.1 | Very high | 41 Ų | 41 | 37.6 Ų | 37.6 | 21% | 0.21 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.3 | -44.9 | 174.4 | -74.1 | 172.3 | 0 | 0 | 0 | 109.7 | I33 V37 Y236 L310 V311 L317 T318 | I33-I314 HydrophobicContact CD1-CD1 3.63Å; I33-I314 HydrophobicContact CG1-CD1 4.16Å; I33-I314 HydrophobicContact CG1-CG2 4.33Å; I33-I314 HydrophobicContact CG2-CG2 4.03Å; V37-I314 HydrophobicContact CG2-CG2 4.42Å; Y236-I314 WeakPolarHBondContact OH-CG2 3.44Å; L310-I314 HydrophobicContact CD1-CD1 3.78Å; L310-I314 HydrophobicContact CD1-CG1 4.18Å; L310-I314 HydrophobicContact CG-CD1 3.75Å; L310-I314 HydrophobicContact CG-CG1 4.5Å; L310-I314 WeakPolarHBondContact O-CB 3.39Å; L310-I314 VanDerWaalsContact O-CG1 3.23Å; L310-I314 WeakPolarHBondContact O-CG1 3.38Å; L310-I314 PolarHBondContact O-N 2.91Å; V311-I314 PolarHBondContact O-N 3.39Å; I314-L317 PolarHBondContact O-N 3.18Å; I314-T318 VanDerWaalsContact O-CB 3.27Å; I314-T318 WeakPolarHBondContact O-CB 3.46Å; I314-T318 PolarHBondContact O-N 2.65Å; I314-T318 PolarHBondContact O-OG1 2.88Å |
| 315 | N | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.2 | -55.9 | 177.1 | -179.6 | 43.2 | 0 | 0 | 0 | 112.2 | S36 N41 S283 L284 V311 G312 W313 L317 T318 S319 | S36-N315 PolarHBondContact O-OD1 3.25Å; N41-N315 PolarHBondContact ND2-OD1 2.91Å; S283-N315 PolarHBondContact OG-ND2 2.77Å; S283-N315 PolarHBondContact OG-OD1 2.95Å; L284-N315 HydrophobicContact CD2-CB 3.96Å; L284-N315 WeakPolarHBondContact CD2-ND2 2.96Å; V311-N315 VanDerWaalsContact O-CB 3.26Å; V311-N315 WeakPolarHBondContact O-CB 3.02Å; V311-N315 PolarHBondContact O-N 2.93Å; G312-N315 WeakPolarHBondContact O-CB 3.37Å; W313-N315 PolarHBondContact O-N 3.04Å; N315-L317 VanDerWaalsContact C-N 3.34Å; N315-L317 PolarHBondContact O-N 3.48Å; N315-T318 PolarHBondContact O-N 3.15Å; N315-T318 VanDerWaalsContact O-N 3.16Å; N315-S319 PolarHBondContact O-N 3.06Å; N315-S319 PolarHBondContact O-OG 3.5Å; N315-S319 VanDerWaalsContact O-OG 3.08Å |
| 316 | C | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.8 | -43.9 | 179.8 | -69.6 | 0 | 0 | 0 | 0 | 112.7 | Y61 F62 F65 G312 W313 T318 S319 I320 | Y61-C316 HydrophobicContact CE1-CB 3.9Å; Y61-C316 WeakPolarHBondContact OH-CA 3.45Å; F62-C316 HydrophobicContact CE1-CB 3.93Å; F65-C316 VanDerWaalsContact CG-SG 3.55Å; G312-C316 PolarHBondContact O-N 3.14Å; G312-C316 PolarHBondContact O-SG 3.32Å; G312-C316 VanDerWaalsContact O-SG 3.4Å; W313-C316 PolarHBondContact O-N 3.32Å; C316-T318 VanDerWaalsContact C-N 3.35Å; C316-S319 WeakPolarHBondContact O-CB 3.36Å; C316-S319 PolarHBondContact O-N 3.26Å; C316-I320 WeakPolarHBondContact O-CG1 3.38Å; C316-I320 PolarHBondContact O-N 3.12Å |
| 317 | L | 97.8 | Very high | 96.7 | Very high | 98 Ų | 98 | 25 Ų | 25 | 51% | 0.513 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -68.6 | -34.2 | 178.5 | -68 | 173.6 | 0 | 0 | 0 | 112 | W313 I314 N315 I320 L321 | W313-L317 WeakPolarHBondContact O-CB 3.38Å; W313-L317 VanDerWaalsContact O-CG 3.25Å; W313-L317 WeakPolarHBondContact O-CG 3.38Å; W313-L317 PolarHBondContact O-N 3.2Å; I314-L317 PolarHBondContact O-N 3.18Å; N315-L317 VanDerWaalsContact C-N 3.34Å; N315-L317 PolarHBondContact O-N 3.48Å; L317-I320 PolarHBondContact O-N 2.67Å; L317-L321 VanDerWaalsContact O-CB 3.3Å; L317-L321 WeakPolarHBondContact O-CB 3.09Å; L317-L321 PolarHBondContact O-N 3.14Å |
| 318 | T | 98 | Very high | 96.6 | Very high | 5 Ų | 5 | 24.4 Ų | 24.4 | 3% | 0.031 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -69.6 | -36.5 | 177.3 | -53 | 0 | 0 | 0 | 0 | 111.5 | V37 Y236 L239 I314 N315 C316 L321 S322 | V37-T318 HydrophobicContact CG1-CG2 3.5Å; V37-T318 VanDerWaalsContact CG1-CG2 3.5Å; V37-T318 HydrophobicContact CG2-CG2 4.39Å; Y236-T318 HydrophobicContact CE1-CG2 3.98Å; Y236-T318 WeakPolarHBondContact CE1-OG1 3.47Å; Y236-T318 PolarHBondContact OH-OG1 3.48Å; L239-T318 HydrophobicContact CD1-CG2 3.68Å; I314-T318 VanDerWaalsContact O-CB 3.27Å; I314-T318 WeakPolarHBondContact O-CB 3.46Å; I314-T318 PolarHBondContact O-N 2.65Å; I314-T318 PolarHBondContact O-OG1 2.88Å; N315-T318 PolarHBondContact O-N 3.15Å; N315-T318 VanDerWaalsContact O-N 3.16Å; C316-T318 VanDerWaalsContact C-N 3.35Å; T318-L321 PolarHBondContact O-N 3.44Å; T318-S322 WeakPolarHBondContact O-CB 3.41Å; T318-S322 PolarHBondContact O-N 2.93Å; T318-S322 PolarHBondContact O-OG 2.93Å |
| 319 | S | 97.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -57.7 | -48.4 | 170.4 | -53.5 | 0 | 0 | 0 | 0 | 111.8 | N41 F45 Y61 N315 C316 S322 G323 | N41-S319 PolarHBondContact ND2-OG 2.81Å; F45-S319 WeakPolarHBondContact CD1-O 3.42Å; F45-S319 WeakPolarHBondContact CE1-O 3.32Å; Y61-S319 PolarHBondContact OH-OG 3.37Å; Y61-S319 VanDerWaalsContact OH-OG 3.05Å; N315-S319 PolarHBondContact O-N 3.06Å; N315-S319 PolarHBondContact O-OG 3.5Å; N315-S319 VanDerWaalsContact O-OG 3.08Å; C316-S319 WeakPolarHBondContact O-CB 3.36Å; C316-S319 PolarHBondContact O-N 3.26Å; S319-S322 WeakPolarHBondContact O-CB 3.41Å; S319-S322 PolarHBondContact O-N 2.67Å; S319-G323 PolarHBondContact O-N 2.82Å |
| 320 | I | 97.2 | Very high | 96.1 | Very high | 25 Ų | 25 | 19.8 Ų | 19.8 | 13% | 0.128 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -65.9 | -44.6 | 179.9 | -67.3 | 169.9 | 0 | 0 | 0 | 110.5 | F45 L58 F62 C316 L317 S322 G323 F324 | F45-I320 HydrophobicContact CE1-CG1 4.27Å; F45-I320 HydrophobicContact CZ-CG1 4Å; L58-I320 HydrophobicContact CD2-CD1 4.25Å; L58-I320 HydrophobicContact CD2-CG1 4.14Å; F62-I320 HydrophobicContact CE2-CD1 3.92Å; F62-I320 HydrophobicContact CZ-CD1 3.62Å; C316-I320 WeakPolarHBondContact O-CG1 3.38Å; C316-I320 PolarHBondContact O-N 3.12Å; L317-I320 PolarHBondContact O-N 2.67Å; I320-S322 VanDerWaalsContact C-N 3.29Å; I320-S322 PolarHBondContact O-N 2.87Å; I320-G323 WeakPolarHBondContact O-CA 3.47Å; I320-G323 PolarHBondContact O-N 3.08Å; I320-F324 HydrophobicContact CG2-CD2 3.93Å; I320-F324 HydrophobicContact CG2-CE2 3.55Å; I320-F324 WeakPolarHBondContact O-CD2 3.49Å; I320-F324 PolarHBondContact O-N 3.08Å |
| 321 | L | 97.4 | Very high | 95.8 | Very high | 40 Ų | 40 | 17.1 Ų | 17.1 | 21% | 0.209 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -55.8 | -45 | 174.3 | 176.3 | 62 | 0 | 0 | 0 | 111.4 | L239 L243 L317 T318 G323 F324 V325 | L239-L321 HydrophobicContact CB-CD2 3.97Å; L239-L321 HydrophobicContact CB-CG 4.32Å; L239-L321 HydrophobicContact CD1-CD2 4.08Å; L239-L321 HydrophobicContact CD1-CG 4.47Å; L243-L321 HydrophobicContact CD2-CD1 3.59Å; L317-L321 VanDerWaalsContact O-CB 3.3Å; L317-L321 WeakPolarHBondContact O-CB 3.09Å; L317-L321 PolarHBondContact O-N 3.14Å; T318-L321 PolarHBondContact O-N 3.44Å; L321-G323 VanDerWaalsContact C-N 3.31Å; L321-G323 PolarHBondContact O-N 3.04Å; L321-F324 WeakPolarHBondContact O-CB 3.38Å; L321-F324 PolarHBondContact O-N 3.06Å; L321-V325 WeakPolarHBondContact O-CG2 3.43Å; L321-V325 PolarHBondContact O-N 2.89Å |
| 322 | S | 95.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.2 | -38.8 | 175.6 | -56.2 | 0 | 0 | 0 | 0 | 111.5 | N41 T318 S319 I320 F324 V325 I326 | N41-S322 WeakPolarHBondContact O-CB 3.39Å; T318-S322 WeakPolarHBondContact O-CB 3.41Å; T318-S322 PolarHBondContact O-N 2.93Å; T318-S322 PolarHBondContact O-OG 2.93Å; S319-S322 WeakPolarHBondContact O-CB 3.41Å; S319-S322 PolarHBondContact O-N 2.67Å; I320-S322 VanDerWaalsContact C-N 3.29Å; I320-S322 PolarHBondContact O-N 2.87Å; S322-F324 PolarHBondContact O-N 3.42Å; S322-V325 PolarHBondContact O-N 2.85Å; S322-I326 WeakPolarHBondContact O-CB 3.3Å; S322-I326 VanDerWaalsContact O-CG1 3.3Å; S322-I326 WeakPolarHBondContact O-CG1 3.44Å; S322-I326 PolarHBondContact O-N 3.07Å |
| 323 | G | 94.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -54.5 | -48.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | S319 I320 L321 V325 I326 F327 | S319-G323 PolarHBondContact O-N 2.82Å; I320-G323 WeakPolarHBondContact O-CA 3.47Å; I320-G323 PolarHBondContact O-N 3.08Å; L321-G323 VanDerWaalsContact C-N 3.31Å; L321-G323 PolarHBondContact O-N 3.04Å; G323-V325 PolarHBondContact O-N 2.6Å; G323-I326 PolarHBondContact O-N 3.2Å; G323-F327 WeakPolarHBondContact O-CB 3.17Å; G323-F327 WeakPolarHBondContact O-CD2 3.39Å; G323-F327 PolarHBondContact O-N 3Å |
| 324 | F | 96.1 | Very high | 94.7 | Very high | 58 Ų | 58 | 15.1 Ų | 15.1 | 25% | 0.254 | 8% | 0.076 | S | C | . | . | H | α-helix | trans | -60.1 | -45.9 | 174.9 | -76 | -77.4 | 0 | 0 | 0 | 112.6 | L243 I256 F259 L260 I320 L321 S322 S328 | L243-F324 HydrophobicContact CD1-CB 3.74Å; I256-F324 HydrophobicContact CD1-CD1 4.5Å; I256-F324 HydrophobicContact CG1-CD1 4.27Å; I256-F324 HydrophobicContact CG2-CD1 3.8Å; I256-F324 HydrophobicContact CG2-CE1 3.63Å; F259-F324 HydrophobicContact CE1-CD2 4.41Å; F259-F324 HydrophobicContact CE1-CE2 4.46Å; L260-F324 HydrophobicContact CD1-CE1 3.84Å; L260-F324 HydrophobicContact CD1-CZ 3.94Å; L260-F324 HydrophobicContact CD2-CZ 4.15Å; L260-F324 HydrophobicContact CG-CE1 4.41Å; L260-F324 HydrophobicContact CG-CZ 4.44Å; I320-F324 HydrophobicContact CG2-CD2 3.93Å; I320-F324 HydrophobicContact CG2-CE2 3.55Å; I320-F324 WeakPolarHBondContact O-CD2 3.49Å; I320-F324 PolarHBondContact O-N 3.08Å; L321-F324 WeakPolarHBondContact O-CB 3.38Å; L321-F324 PolarHBondContact O-N 3.06Å; S322-F324 PolarHBondContact O-N 3.42Å; F324-S328 WeakPolarHBondContact O-CB 3.39Å; F324-S328 PolarHBondContact O-N 3.23Å; F324-S328 PolarHBondContact O-OG 3.19Å; F324-S328 VanDerWaalsContact O-OG 3.04Å |
| 325 | V | 94.9 | Very high | 94.3 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.012 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.4 | -47.7 | 178.9 | 170.3 | 0 | 0 | 0 | 0 | 112 | L239 L242 L243 L321 S322 G323 S328 T329 Y357 | L239-V325 HydrophobicContact CD2-CB 4.41Å; L239-V325 HydrophobicContact CD2-CG2 4.04Å; L239-V325 WeakPolarHBondContact O-CG2 3.27Å; L242-V325 HydrophobicContact CB-CG1 3.71Å; L242-V325 HydrophobicContact CD1-CG1 4.27Å; L243-V325 HydrophobicContact CB-CG2 3.72Å; L243-V325 HydrophobicContact CD1-CG2 4.31Å; L321-V325 WeakPolarHBondContact O-CG2 3.43Å; L321-V325 PolarHBondContact O-N 2.89Å; S322-V325 PolarHBondContact O-N 2.85Å; G323-V325 PolarHBondContact O-N 2.6Å; V325-S328 PolarHBondContact O-OG 2.81Å; V325-S328 VanDerWaalsContact O-OG 3.07Å; V325-T329 WeakPolarHBondContact O-CB 3.32Å; V325-T329 PolarHBondContact O-N 3.47Å; V325-T329 PolarHBondContact O-OG1 2.98Å; V325-Y357 WeakPolarHBondContact CG1-OH 3.28Å |
| 326 | I | 92 | Very high | 93.8 | Very high | 3 Ų | 3 | 21.9 Ų | 21.9 | 2% | 0.015 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.8 | -52.3 | -178.9 | -65.8 | -59.1 | 0 | 0 | 0 | 109.7 | V42 P46 S322 G323 T329 L330 Y357 F374 | V42-I326 HydrophobicContact CG1-CD1 4.48Å; P46-I326 HydrophobicContact CB-CB 4.36Å; P46-I326 HydrophobicContact CB-CG2 4.38Å; P46-I326 HydrophobicContact CG-CB 4.47Å; P46-I326 HydrophobicContact CG-CG1 4.2Å; S322-I326 WeakPolarHBondContact O-CB 3.3Å; S322-I326 VanDerWaalsContact O-CG1 3.3Å; S322-I326 WeakPolarHBondContact O-CG1 3.44Å; S322-I326 PolarHBondContact O-N 3.07Å; G323-I326 PolarHBondContact O-N 3.2Å; I326-T329 WeakPolarHBondContact O-CB 3.42Å; I326-T329 PolarHBondContact O-N 3.32Å; I326-L330 HydrophobicContact CG2-CD1 3.77Å; I326-L330 HydrophobicContact CG2-CG 4.26Å; I326-L330 WeakPolarHBondContact O-CG 3.28Å; I326-L330 PolarHBondContact O-N 3.44Å; I326-Y357 HydrophobicContact CD1-CD2 3.54Å; I326-Y357 HydrophobicContact CD1-CE2 3.52Å; I326-Y357 HydrophobicContact CD1-CG 4.09Å; I326-F374 HydrophobicContact CD1-CE2 4.46Å |
| 327 | F | 92.3 | Very high | 93.2 | Very high | 3 Ų | 3 | 23.8 Ų | 23.8 | 1% | 0.013 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -73.5 | -29.7 | -174.5 | -83 | -83.2 | 0 | 0 | 0 | 114.1 | P46 Y50 G255 Y258 F259 G323 T329 L330 G331 I341 T345 | P46-F327 HydrophobicContact CB-CD2 4.33Å; P46-F327 HydrophobicContact CB-CE2 3.9Å; Y50-F327 AromaticContact CD1-CZ 3.96Å; Y50-F327 HydrophobicContact CD1-CZ 3.96Å; Y50-F327 AromaticContact CG-CZ 3.89Å; Y50-F327 HydrophobicContact CG-CZ 3.89Å; G255-F327 VanDerWaalsContact CA-O 3.31Å; G255-F327 WeakPolarHBondContact CA-O 3.13Å; G255-F327 WeakPolarHBondContact O-CB 3.42Å; Y258-F327 HydrophobicContact CD1-CD1 4.08Å; Y258-F327 AromaticContact CD1-CE1 3.65Å; Y258-F327 HydrophobicContact CD1-CE1 3.65Å; Y258-F327 HydrophobicContact CE1-CE1 4.07Å; F259-F327 HydrophobicContact CB-CB 3.84Å; F259-F327 HydrophobicContact CB-CD1 4.15Å; F259-F327 HydrophobicContact CB-CD2 3.72Å; F259-F327 HydrophobicContact CB-CE2 4.33Å; F259-F327 HydrophobicContact CB-CG 3.63Å; F259-F327 AromaticContact CD2-CD2 3.6Å; F259-F327 HydrophobicContact CD2-CD2 3.6Å; F259-F327 AromaticContact CD2-CE2 3.71Å; F259-F327 HydrophobicContact CD2-CE2 3.71Å; F259-F327 HydrophobicContact CD2-CG 4.4Å; F259-F327 HydrophobicContact CE2-CD2 4.44Å; F259-F327 HydrophobicContact CE2-CE2 4.47Å; F259-F327 HydrophobicContact CG-CB 4.46Å; F259-F327 AromaticContact CG-CD2 3.79Å; F259-F327 HydrophobicContact CG-CD2 3.79Å; F259-F327 HydrophobicContact CG-CE2 4.32Å; F259-F327 HydrophobicContact CG-CG 4.2Å; G323-F327 WeakPolarHBondContact O-CB 3.17Å; G323-F327 WeakPolarHBondContact O-CD2 3.39Å; G323-F327 PolarHBondContact O-N 3Å; F327-T329 VanDerWaalsContact C-N 3.26Å; F327-T329 PolarHBondContact O-N 3.06Å; F327-L330 HydrophobicContact CD1-CD1 4.31Å; F327-L330 HydrophobicContact CE1-CD1 4.33Å; F327-L330 PolarHBondContact O-N 2.62Å; F327-G331 PolarHBondContact O-N 3.16Å; F327-I341 HydrophobicContact CE1-CG2 4.48Å; F327-T345 HydrophobicContact CE1-CG2 4.47Å |
| 328 | S | 94.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.9 | -40.7 | 170.9 | 66.2 | 0 | 0 | 0 | 0 | 111.2 | A252 F324 V325 Y332 | A252-S328 WeakPolarHBondContact CA-O 3.47Å; A252-S328 WeakPolarHBondContact CB-O 3.38Å; F324-S328 WeakPolarHBondContact O-CB 3.39Å; F324-S328 PolarHBondContact O-N 3.23Å; F324-S328 PolarHBondContact O-OG 3.19Å; F324-S328 VanDerWaalsContact O-OG 3.04Å; V325-S328 PolarHBondContact O-OG 2.81Å; V325-S328 VanDerWaalsContact O-OG 3.07Å; S328-Y332 PolarHBondContact O-N 3.19Å |
| 329 | T | 92.5 | Very high | 91.8 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.006 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -70.7 | -42.2 | 179.2 | -57.6 | 0 | 0 | 0 | 0 | 111.8 | V325 I326 F327 Y332 M333 Y357 A360 M364 | V325-T329 WeakPolarHBondContact O-CB 3.32Å; V325-T329 PolarHBondContact O-N 3.47Å; V325-T329 PolarHBondContact O-OG1 2.98Å; I326-T329 WeakPolarHBondContact O-CB 3.42Å; I326-T329 PolarHBondContact O-N 3.32Å; F327-T329 VanDerWaalsContact C-N 3.26Å; F327-T329 PolarHBondContact O-N 3.06Å; T329-Y332 PolarHBondContact O-N 3.32Å; T329-M333 PolarHBondContact O-N 2.9Å; T329-M333 VanDerWaalsContact O-N 3.08Å; T329-Y357 VanDerWaalsContact CB-CE2 3.45Å; T329-Y357 HydrophobicContact CG2-CD2 3.87Å; T329-Y357 HydrophobicContact CG2-CE2 3.31Å; T329-Y357 PolarHBondContact OG1-OH 3.42Å; T329-A360 HydrophobicContact CG2-CB 3.32Å; T329-M364 HydrophobicContact CG2-CE 3.2Å |
| 330 | L | 90.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.9 | -37.8 | 174.8 | -66.7 | 176.8 | 0 | 0 | 0 | 112.3 | I326 F327 Y332 M333 A334 T345 I356 | I326-L330 HydrophobicContact CG2-CD1 3.77Å; I326-L330 HydrophobicContact CG2-CG 4.26Å; I326-L330 WeakPolarHBondContact O-CG 3.28Å; I326-L330 PolarHBondContact O-N 3.44Å; F327-L330 HydrophobicContact CD1-CD1 4.31Å; F327-L330 HydrophobicContact CE1-CD1 4.33Å; F327-L330 PolarHBondContact O-N 2.62Å; L330-Y332 VanDerWaalsContact C-N 3.3Å; L330-Y332 PolarHBondContact O-N 3.17Å; L330-M333 PolarHBondContact O-N 3.4Å; L330-A334 WeakPolarHBondContact O-CB 3.29Å; L330-A334 PolarHBondContact O-N 2.84Å; L330-T345 HydrophobicContact CD1-CG2 3.84Å; L330-I356 HydrophobicContact CD2-CG2 3.33Å |
| 331 | G | 92.7 | Very high | 90.3 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.9 | -41.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G251 F327 H335 | G251-G331 CarbonylContact O-C 3.58Å; F327-G331 PolarHBondContact O-N 3.16Å; G331-H335 WeakPolarHBondContact O-CB 3.47Å; G331-H335 PolarHBondContact O-N 3.4Å |
| 332 | Y | 92 | Very high | 89.2 | Confident | 31 Ų | 31 | 29.5 Ų | 29.5 | 12% | 0.122 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.8 | -43.8 | 173.3 | 171.7 | -114.5 | 0 | 0 | 0 | 113.1 | L249 P250 S328 T329 L330 H335 T336 T363 M364 | L249-Y332 HydrophobicContact CB-CD2 3.76Å; L249-Y332 HydrophobicContact CB-CE2 4.48Å; L249-Y332 HydrophobicContact CB-CG 3.78Å; L249-Y332 HydrophobicContact CD1-CD1 3.78Å; L249-Y332 HydrophobicContact CD1-CD2 4.46Å; L249-Y332 HydrophobicContact CD1-CE1 4.38Å; L249-Y332 HydrophobicContact CD1-CG 3.81Å; L249-Y332 HydrophobicContact CD2-CD2 4.43Å; L249-Y332 HydrophobicContact CD2-CE2 4.4Å; L249-Y332 HydrophobicContact CG-CD2 4.44Å; L249-Y332 HydrophobicContact CG-CG 4.25Å; P250-Y332 HydrophobicContact CG-CD2 3.78Å; P250-Y332 HydrophobicContact CG-CE2 3.7Å; P250-Y332 WeakPolarHBondContact O-CA 3.16Å; P250-Y332 WeakPolarHBondContact O-CD2 3.43Å; S328-Y332 PolarHBondContact O-N 3.19Å; T329-Y332 PolarHBondContact O-N 3.32Å; L330-Y332 VanDerWaalsContact C-N 3.3Å; L330-Y332 PolarHBondContact O-N 3.17Å; Y332-H335 PolarHBondContact O-N 3.37Å; Y332-T336 VanDerWaalsContact CE2-OG1 3.22Å; Y332-T336 WeakPolarHBondContact CE2-OG1 3.4Å; Y332-T336 WeakPolarHBondContact O-CB 3.42Å; Y332-T336 PolarHBondContact O-N 3.48Å; Y332-T336 PolarHBondContact O-OG1 3.39Å; Y332-T363 VanDerWaalsContact CE1-OG1 3.23Å; Y332-T363 WeakPolarHBondContact CE1-OG1 3.41Å; Y332-T363 PolarHBondContact OH-O 3.45Å; Y332-M364 HydrophobicContact CD1-CE 4.43Å; Y332-M364 HydrophobicContact CD1-CG 4.11Å; Y332-M364 HydrophobicContact CE1-CG 3.83Å |
| 333 | M | 90.2 | Very high | 87.9 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.9 | -50 | 175.6 | -176.5 | -160.2 | -71.2 | 0 | 0 | 110.7 | T329 L330 H335 T336 L337 T344 I356 R359 A360 | T329-M333 PolarHBondContact O-N 2.9Å; T329-M333 VanDerWaalsContact O-N 3.08Å; L330-M333 PolarHBondContact O-N 3.4Å; M333-H335 VanDerWaalsContact C-N 3.31Å; M333-H335 PolarHBondContact O-N 2.88Å; M333-T336 PolarHBondContact O-N 3.07Å; M333-T336 VanDerWaalsContact O-N 3.16Å; M333-L337 HydrophobicContact CG-CD1 3.58Å; M333-L337 HydrophobicContact CG-CG 4.07Å; M333-L337 WeakPolarHBondContact O-CB 3.46Å; M333-L337 WeakPolarHBondContact O-CG 3.43Å; M333-L337 PolarHBondContact O-N 3.39Å; M333-L337 HydrophobicContact SD-CD1 3.95Å; M333-T344 HydrophobicContact SD-CG2 3.99Å; M333-I356 HydrophobicContact CE-CG2 4.24Å; M333-I356 VanDerWaalsContact CE-O 3.25Å; M333-I356 WeakPolarHBondContact CE-O 3.38Å; M333-R359 HydrophobicContact CE-CB 3.82Å; M333-R359 HydrophobicContact CE-CG 3.82Å; M333-A360 HydrophobicContact CB-CB 4.45Å; M333-A360 HydrophobicContact CE-CB 3.37Å |
| 334 | A | 89.4 | Confident | 86.7 | Confident | 7 Ų | 7 | 35.8 Ų | 35.8 | 6% | 0.058 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -55.8 | -45.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | L330 G338 K339 I341 | L330-A334 WeakPolarHBondContact O-CB 3.29Å; L330-A334 PolarHBondContact O-N 2.84Å; A334-G338 PolarHBondContact O-N 3.4Å; A334-K339 CarbonylContact C-O 3.53Å; A334-K339 WeakPolarHBondContact CB-O 3.24Å; A334-K339 PolarHBondContact O-N 2.93Å; A334-I341 HydrophobicContact CB-CB 4.46Å; A334-I341 HydrophobicContact CB-CG1 3.59Å |
| 335 | H | 90 | Very high | 85.3 | Confident | 115 Ų | 115 | 33.1 Ų | 33.1 | 53% | 0.532 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.1 | -43.7 | 175.8 | 179.3 | -78.8 | 0 | 0 | 0 | 112.8 | G331 Y332 M333 G338 | G331-H335 WeakPolarHBondContact O-CB 3.47Å; G331-H335 PolarHBondContact O-N 3.4Å; Y332-H335 PolarHBondContact O-N 3.37Å; M333-H335 VanDerWaalsContact C-N 3.31Å; M333-H335 PolarHBondContact O-N 2.88Å; H335-G338 PolarHBondContact O-N 3.09Å |
| 336 | T | 86.8 | Confident | 83.5 | Confident | 69 Ų | 69 | 39 Ų | 39 | 42% | 0.423 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -71.7 | -35.7 | -177.4 | -54.9 | 0 | 0 | 0 | 0 | 112.2 | Y332 M333 | Y332-T336 VanDerWaalsContact CE2-OG1 3.22Å; Y332-T336 WeakPolarHBondContact CE2-OG1 3.4Å; Y332-T336 WeakPolarHBondContact O-CB 3.42Å; Y332-T336 PolarHBondContact O-N 3.48Å; Y332-T336 PolarHBondContact O-OG1 3.39Å; M333-T336 PolarHBondContact O-N 3.07Å; M333-T336 VanDerWaalsContact O-N 3.16Å |
| 337 | L | 85.2 | Confident | 82 | Confident | 40 Ų | 40 | 40.3 Ų | 40.3 | 21% | 0.209 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -86.1 | -6.1 | 177.9 | -61.3 | -177.1 | 0 | 0 | 0 | 113.4 | D152 M333 K339 | D152-L337 HydrophobicContact CB-CD2 3.82Å; M333-L337 HydrophobicContact CG-CD1 3.58Å; M333-L337 HydrophobicContact CG-CG 4.07Å; M333-L337 WeakPolarHBondContact O-CB 3.46Å; M333-L337 WeakPolarHBondContact O-CG 3.43Å; M333-L337 PolarHBondContact O-N 3.39Å; M333-L337 HydrophobicContact SD-CD1 3.95Å; L337-K339 HydrophobicContact CB-CB 4.48Å; L337-K339 HydrophobicContact CB-CG 4.26Å; L337-K339 PolarHBondContact O-N 2.94Å |
| 338 | G | 82.8 | Confident | 80.7 | Confident | 72 Ų | 72 | 41.9 Ų | 41.9 | 74% | 0.742 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | 27.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | A334 H335 | A334-G338 PolarHBondContact O-N 3.4Å; H335-G338 PolarHBondContact O-N 3.09Å |
| 339 | K | 83.2 | Confident | 79.3 | Confident | 104 Ų | 104 | 43.5 Ų | 43.5 | 45% | 0.452 | 27% | 0.272 | S | S | . | . | trans | -111.1 | 157 | -177.1 | -69 | -171 | 177.3 | -172.6 | 0 | 111.9 | A334 L337 | A334-K339 CarbonylContact C-O 3.53Å; A334-K339 WeakPolarHBondContact CB-O 3.24Å; A334-K339 PolarHBondContact O-N 2.93Å; L337-K339 HydrophobicContact CB-CB 4.48Å; L337-K339 HydrophobicContact CB-CG 4.26Å; L337-K339 PolarHBondContact O-N 2.94Å | ||
| 340 | G | 82.8 | Confident | 78.4 | Confident | 31 Ų | 31 | 45.3 Ų | 45.3 | 32% | 0.32 | 28% | 0.283 | S | S | . | . | trans | -66.7 | 144.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S342 E343 | G340-S342 PolarHBondContact O-N 3.32Å; G340-E343 WeakPolarHBondContact O-CB 3.28Å; G340-E343 PolarHBondContact O-N 3.47Å; G340-E343 VanDerWaalsContact O-N 3.11Å | ||
| 341 | I | 81.1 | Confident | 78 | Confident | 21 Ų | 21 | 45.6 Ų | 45.6 | 11% | 0.108 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -37.1 | 177.7 | -65.4 | 156.4 | 0 | 0 | 0 | 111 | S254 Y258 F327 A334 E343 T344 T345 | S254-I341 WeakPolarHBondContact O-CD1 3.38Å; Y258-I341 HydrophobicContact CD1-CB 4.45Å; Y258-I341 HydrophobicContact CD1-CG2 3.69Å; Y258-I341 HydrophobicContact CE1-CG2 3.96Å; Y258-I341 HydrophobicContact CG-CB 4.38Å; Y258-I341 HydrophobicContact CG-CD1 4.23Å; Y258-I341 HydrophobicContact CG-CG2 4.06Å; F327-I341 HydrophobicContact CE1-CG2 4.48Å; A334-I341 HydrophobicContact CB-CB 4.46Å; A334-I341 HydrophobicContact CB-CG1 3.59Å; I341-E343 VanDerWaalsContact C-N 3.31Å; I341-E343 PolarHBondContact O-N 3.01Å; I341-T344 PolarHBondContact O-N 3.31Å; I341-T344 PolarHBondContact O-OG1 2.75Å; I341-T345 HydrophobicContact CG2-CG2 4.37Å; I341-T345 PolarHBondContact O-N 3.08Å; I341-T345 PolarHBondContact O-OG1 2.85Å |
| 342 | S | 74.6 | Confident | 77.6 | Confident | 59 Ų | 59 | 45.8 Ų | 45.8 | 41% | 0.413 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -57.2 | -42.1 | 177.6 | 50.5 | 0 | 0 | 0 | 0 | 112.8 | G340 T344 T345 | G340-S342 PolarHBondContact O-N 3.32Å; S342-T344 PolarHBondContact O-N 3.05Å; S342-T345 WeakPolarHBondContact CA-OG1 3.27Å; S342-T345 PolarHBondContact O-N 2.73Å; S342-T345 VanDerWaalsContact O-N 3.09Å; S342-T345 PolarHBondContact O-OG1 3.01Å |
| 343 | E | 68.8 | Low | 77.4 | Confident | 119 Ų | 119 | 44.4 Ų | 44.4 | 56% | 0.556 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -67.4 | -20.2 | 179.1 | -63.3 | 172.2 | -144.4 | 0 | 0 | 112.5 | G340 I341 | G340-E343 WeakPolarHBondContact O-CB 3.28Å; G340-E343 PolarHBondContact O-N 3.47Å; G340-E343 VanDerWaalsContact O-N 3.11Å; I341-E343 VanDerWaalsContact C-N 3.31Å; I341-E343 PolarHBondContact O-N 3.01Å |
| 344 | T | 68 | Low | 77.5 | Confident | 14 Ų | 14 | 44.4 Ų | 44.4 | 9% | 0.086 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -88.9 | -8.4 | 176.9 | 68 | 0 | 0 | 0 | 0 | 113.1 | M333 I341 S342 I356 | M333-T344 HydrophobicContact SD-CG2 3.99Å; I341-T344 PolarHBondContact O-N 3.31Å; I341-T344 PolarHBondContact O-OG1 2.75Å; S342-T344 PolarHBondContact O-N 3.05Å; T344-I356 WeakPolarHBondContact O-CD1 3.37Å; T344-I356 WeakPolarHBondContact O-CG2 3.4Å |
| 345 | T | 66.4 | Low | 77.6 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.012 | 28% | 0.284 | C | S | . | . | trans | -106.8 | 3.1 | -171.6 | 50.9 | 0 | 0 | 0 | 0 | 115.7 | Y50 F327 L330 I341 S342 A347 | Y50-T345 PolarHBondContact OH-OG1 2.8Å; F327-T345 HydrophobicContact CE1-CG2 4.47Å; L330-T345 HydrophobicContact CD1-CG2 3.84Å; I341-T345 HydrophobicContact CG2-CG2 4.37Å; I341-T345 PolarHBondContact O-N 3.08Å; I341-T345 PolarHBondContact O-OG1 2.85Å; S342-T345 WeakPolarHBondContact CA-OG1 3.27Å; S342-T345 PolarHBondContact O-N 2.73Å; S342-T345 VanDerWaalsContact O-N 3.09Å; S342-T345 PolarHBondContact O-OG1 3.01Å; T345-A347 PolarHBondContact O-N 3.11Å; T345-A347 VanDerWaalsContact O-N 3.14Å | ||
| 346 | D | 58.5 | Low | 77.6 | Confident | 125 Ų | 125 | 40.2 Ų | 40.2 | 67% | 0.668 | 26% | 0.262 | S | S | * | . | trans | -69.9 | -14.3 | -168.7 | -69 | -27.9 | 0 | 0 | 0 | 114.9 | G348 | D346-G348 PolarHBondContact O-N 3.28Š| ||
| 347 | A | 60.5 | Low | 77.7 | Confident | 31 Ų | 31 | 37 Ų | 37 | 26% | 0.256 | 24% | 0.242 | S | C | . | . | trans | -80.1 | 102.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111 | T345 L352 I356 | T345-A347 PolarHBondContact O-N 3.11Å; T345-A347 VanDerWaalsContact O-N 3.14Å; A347-L352 PolarHBondContact O-N 3.44Å; A347-I356 HydrophobicContact CB-CD1 3.49Å; A347-I356 VanDerWaalsContact CB-CD1 3.49Å; A347-I356 HydrophobicContact CB-CG1 3.97Å | ||
| 348 | G | 63.8 | Low | 78.1 | Confident | 35 Ų | 35 | 35 Ų | 35 | 36% | 0.361 | 23% | 0.232 | S | C | . | . | trans | -71.3 | 158.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | D346 G351 | D346-G348 PolarHBondContact O-N 3.28Å; G348-G351 PolarHBondContact O-N 2.93Å | ||
| 349 | G | 66.5 | Low | 78.5 | Confident | 35 Ų | 35 | 34.2 Ų | 34.2 | 36% | 0.361 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | -132.3 | 171 | 0 | 0 | 0 | 0 | 0 | 113.9 | G351 L352 | G349-G351 PolarHBondContact O-N 3.33Å; G349-L352 PolarHBondContact O-N 2.92Å |
| 350 | P | 73.5 | Confident | 78.8 | Confident | 38 Ų | 38 | 29.3 Ų | 29.3 | 25% | 0.247 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.1 | -24.4 | -177.1 | 26 | -33.5 | 0 | 0 | 0 | 113.4 | W43 W122 L352 V353 F354 | W43-P350 HydrophobicContact CE3-CB 4.44Å; W43-P350 HydrophobicContact CH2-CB 4.29Å; W43-P350 HydrophobicContact CZ3-CB 3.69Å; W122-P350 HydrophobicContact CZ3-CB 4.08Å; P350-L352 VanDerWaalsContact C-N 3.27Å; P350-L352 PolarHBondContact O-N 2.91Å; P350-V353 PolarHBondContact O-N 3.4Å; P350-F354 HydrophobicContact CB-CD2 4.05Å; P350-F354 WeakPolarHBondContact O-CD2 3.35Å; P350-F354 PolarHBondContact O-N 2.98Å |
| 351 | G | 82 | Confident | 79.3 | Confident | 7 Ų | 7 | 27.8 Ų | 27.8 | 7% | 0.072 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.4 | -33.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | G348 G349 V353 I355 I356 | G348-G351 PolarHBondContact O-N 2.93Å; G349-G351 PolarHBondContact O-N 3.33Å; G351-V353 VanDerWaalsContact C-N 3.29Å; G351-V353 PolarHBondContact O-N 3.03Å; G351-I355 WeakPolarHBondContact O-CA 3.48Å; G351-I355 WeakPolarHBondContact O-CB 3.49Å; G351-I355 PolarHBondContact O-N 3.27Å; G351-I356 PolarHBondContact O-N 2.7Å |
| 352 | L | 82.7 | Confident | 79.8 | Confident | 6 Ų | 6 | 27.5 Ų | 27.5 | 3% | 0.031 | 17% | 0.17 | C | C | . | . | I | π-helix | trans | -59.3 | -42.3 | 177.6 | -174.5 | 65.6 | 0 | 0 | 0 | 112.1 | W43 A347 G349 P350 I356 Y357 | W43-L352 WeakPolarHBondContact O-CD2 3.25Å; A347-L352 PolarHBondContact O-N 3.44Å; G349-L352 PolarHBondContact O-N 2.92Å; P350-L352 VanDerWaalsContact C-N 3.27Å; P350-L352 PolarHBondContact O-N 2.91Å; L352-I356 HydrophobicContact CD1-CB 4.19Å; L352-I356 HydrophobicContact CD1-CD1 3.72Å; L352-I356 HydrophobicContact CD1-CG2 4.39Å; L352-Y357 WeakPolarHBondContact O-CB 3.33Å; L352-Y357 PolarHBondContact O-N 2.97Å |
| 353 | V | 88.7 | Confident | 80.5 | Confident | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | I | π-helix | trans | -94.5 | -26.8 | -173.8 | 156.4 | 0 | 0 | 0 | 0 | 114 | W43 P350 G351 P358 F374 L378 | W43-V353 HydrophobicContact CB-CB 4.09Å; W43-V353 HydrophobicContact CB-CG2 3.28Å; W43-V353 HydrophobicContact CE3-CB 4.15Å; W43-V353 HydrophobicContact CE3-CG1 4.48Å; W43-V353 HydrophobicContact CG-CG2 4.47Å; P350-V353 PolarHBondContact O-N 3.4Å; G351-V353 VanDerWaalsContact C-N 3.29Å; G351-V353 PolarHBondContact O-N 3.03Å; V353-P358 WeakPolarHBondContact O-CD 3.25Å; V353-P358 WeakPolarHBondContact O-CG 3.41Å; V353-F374 HydrophobicContact CB-CZ 4.32Å; V353-F374 HydrophobicContact CG1-CE1 3.95Å; V353-F374 HydrophobicContact CG1-CZ 3.78Å; V353-F374 HydrophobicContact CG2-CZ 4.02Å; V353-L378 HydrophobicContact CG1-CD1 3.32Å; V353-L378 HydrophobicContact CG1-CD2 4.04Å; V353-L378 HydrophobicContact CG1-CG 4.33Å |
| 354 | F | 92.6 | Very high | 81.5 | Confident | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.009 | 14% | 0.135 | C | C | . | . | I | π-helix | trans | -101.2 | -13.8 | 179.6 | -65.9 | -68.8 | 0 | 0 | 0 | 113.8 | W43 V119 W122 A123 Y126 F179 P350 F375 | W43-F354 HydrophobicContact CE3-CE2 4.46Å; W43-F354 HydrophobicContact CZ3-CD2 4.37Å; W43-F354 AromaticContact CZ3-CE2 3.86Å; W43-F354 HydrophobicContact CZ3-CE2 3.86Å; V119-F354 HydrophobicContact CG1-CE2 3.96Å; V119-F354 HydrophobicContact CG1-CZ 4.23Å; W122-F354 HydrophobicContact CB-CD1 4.37Å; W122-F354 HydrophobicContact CB-CE1 3.86Å; W122-F354 HydrophobicContact CB-CE2 4.46Å; W122-F354 HydrophobicContact CB-CZ 3.91Å; W122-F354 HydrophobicContact CE3-CD2 4.08Å; W122-F354 AromaticContact CE3-CE2 3.8Å; W122-F354 HydrophobicContact CE3-CE2 3.8Å; W122-F354 HydrophobicContact CE3-CZ 4.34Å; A123-F354 HydrophobicContact CB-CE1 4.17Å; A123-F354 HydrophobicContact CB-CZ 4.28Å; Y126-F354 AromaticContact CD2-CD1 3.75Å; Y126-F354 HydrophobicContact CD2-CD1 3.75Å; Y126-F354 HydrophobicContact CD2-CE1 4.2Å; Y126-F354 HydrophobicContact CE2-CB 4.22Å; Y126-F354 AromaticContact CE2-CD1 3.6Å; Y126-F354 HydrophobicContact CE2-CD1 3.6Å; Y126-F354 HydrophobicContact CE2-CE1 4.43Å; Y126-F354 HydrophobicContact CE2-CG 4.31Å; Y126-F354 HydrophobicContact CG-CD1 4.47Å; Y126-F354 VanDerWaalsContact CZ-O 3.32Å; Y126-F354 PolarHBondContact OH-O 3.22Å; F179-F354 HydrophobicContact CD2-CB 3.56Å; F179-F354 HydrophobicContact CD2-CG 4.26Å; F179-F354 HydrophobicContact CE2-CB 3.57Å; F179-F354 HydrophobicContact CE2-CD2 4.2Å; F179-F354 AromaticContact CE2-CG 3.87Å; F179-F354 HydrophobicContact CE2-CG 3.87Å; F179-F354 HydrophobicContact CG-CB 4.11Å; F179-F354 HydrophobicContact CZ-CB 4.13Å; F179-F354 HydrophobicContact CZ-CD2 4.44Å; F179-F354 HydrophobicContact CZ-CG 4.47Å; P350-F354 HydrophobicContact CB-CD2 4.05Å; P350-F354 WeakPolarHBondContact O-CD2 3.35Å; P350-F354 PolarHBondContact O-N 2.98Å; F354-F375 HydrophobicContact CD1-CE1 4.01Å; F354-F375 HydrophobicContact CE1-CE1 4.02Å |
| 355 | I | 91.8 | Very high | 82.5 | Confident | 19 Ų | 19 | 31.6 Ų | 31.6 | 10% | 0.097 | 17% | 0.174 | C | C | . | . | I | π-helix | trans | -117.6 | -62.5 | 178.1 | -57.8 | 170.1 | 0 | 0 | 0 | 110.8 | E176 F179 G351 P358 R359 | E176-I355 HydrophobicContact CB-CG2 3.71Å; E176-I355 HydrophobicContact CG-CD1 4.27Å; E176-I355 HydrophobicContact CG-CG2 4.42Å; F179-I355 HydrophobicContact CB-CD1 4.31Å; F179-I355 HydrophobicContact CB-CG1 3.71Å; F179-I355 HydrophobicContact CD1-CD1 3.87Å; F179-I355 HydrophobicContact CD1-CG1 3.92Å; F179-I355 HydrophobicContact CG-CD1 4.44Å; F179-I355 HydrophobicContact CG-CG1 4.02Å; G351-I355 WeakPolarHBondContact O-CA 3.48Å; G351-I355 WeakPolarHBondContact O-CB 3.49Å; G351-I355 PolarHBondContact O-N 3.27Å; I355-P358 WeakPolarHBondContact O-CD 3.44Å; I355-R359 VanDerWaalsContact O-CB 3.3Å; I355-R359 WeakPolarHBondContact O-CB 3.46Å; I355-R359 PolarHBondContact O-N 3Å; I355-R359 VanDerWaalsContact O-N 3.12Å |
| 356 | I | 89.5 | Confident | 83.8 | Confident | 14 Ų | 14 | 33.4 Ų | 33.4 | 7% | 0.072 | 19% | 0.192 | C | C | . | . | I | π-helix | trans | -69 | -50.6 | -170.6 | -58.4 | 170.5 | 0 | 0 | 0 | 110.5 | L330 M333 T344 A347 G351 L352 R359 A360 | L330-I356 HydrophobicContact CD2-CG2 3.33Å; M333-I356 HydrophobicContact CE-CG2 4.24Å; M333-I356 VanDerWaalsContact CE-O 3.25Å; M333-I356 WeakPolarHBondContact CE-O 3.38Å; T344-I356 WeakPolarHBondContact O-CD1 3.37Å; T344-I356 WeakPolarHBondContact O-CG2 3.4Å; A347-I356 HydrophobicContact CB-CD1 3.49Å; A347-I356 VanDerWaalsContact CB-CD1 3.49Å; A347-I356 HydrophobicContact CB-CG1 3.97Å; G351-I356 PolarHBondContact O-N 2.7Å; L352-I356 HydrophobicContact CD1-CB 4.19Å; L352-I356 HydrophobicContact CD1-CD1 3.72Å; L352-I356 HydrophobicContact CD1-CG2 4.39Å; I356-R359 WeakPolarHBondContact O-CB 3.42Å; I356-R359 PolarHBondContact O-N 3.31Å; I356-A360 PolarHBondContact O-N 2.93Å |
| 357 | Y | 89.2 | Confident | 85.5 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 0% | 0.004 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.8 | -39.7 | -176.8 | -158.1 | -104.4 | 0 | 0 | 0 | 113.8 | V325 I326 T329 L352 R359 A360 I361 F374 | V325-Y357 WeakPolarHBondContact CG1-OH 3.28Å; I326-Y357 HydrophobicContact CD1-CD2 3.54Å; I326-Y357 HydrophobicContact CD1-CE2 3.52Å; I326-Y357 HydrophobicContact CD1-CG 4.09Å; T329-Y357 VanDerWaalsContact CB-CE2 3.45Å; T329-Y357 HydrophobicContact CG2-CD2 3.87Å; T329-Y357 HydrophobicContact CG2-CE2 3.31Å; T329-Y357 PolarHBondContact OG1-OH 3.42Å; L352-Y357 WeakPolarHBondContact O-CB 3.33Å; L352-Y357 PolarHBondContact O-N 2.97Å; Y357-R359 VanDerWaalsContact C-N 3.29Å; Y357-R359 PolarHBondContact O-N 2.93Å; Y357-A360 WeakPolarHBondContact O-CA 3.43Å; Y357-A360 VanDerWaalsContact O-CB 3.29Å; Y357-A360 WeakPolarHBondContact O-CB 3.37Å; Y357-A360 PolarHBondContact O-N 2.91Å; Y357-I361 HydrophobicContact CD1-CD1 3.45Å; Y357-I361 VanDerWaalsContact CD1-CD1 3.45Å; Y357-I361 HydrophobicContact CD1-CG1 4.01Å; Y357-I361 HydrophobicContact CE1-CD1 3.42Å; Y357-I361 VanDerWaalsContact CE1-CD1 3.42Å; Y357-I361 HydrophobicContact CE1-CG1 3.84Å; Y357-I361 PolarHBondContact O-N 2.96Å; Y357-F374 AromaticContact CD1-CD1 3.7Å; Y357-F374 HydrophobicContact CD1-CD1 3.7Å; Y357-F374 AromaticContact CD1-CD2 3.53Å; Y357-F374 HydrophobicContact CD1-CD2 3.53Å; Y357-F374 AromaticContact CD1-CE1 3.43Å; Y357-F374 HydrophobicContact CD1-CE1 3.43Å; Y357-F374 VanDerWaalsContact CD1-CE1 3.43Å; Y357-F374 AromaticContact CD1-CE2 3.27Å; Y357-F374 HydrophobicContact CD1-CE2 3.27Å; Y357-F374 AromaticContact CD1-CG 3.72Å; Y357-F374 HydrophobicContact CD1-CG 3.72Å; Y357-F374 AromaticContact CD1-CZ 3.2Å; Y357-F374 HydrophobicContact CD1-CZ 3.2Å; Y357-F374 HydrophobicContact CE1-CB 4.3Å; Y357-F374 HydrophobicContact CE1-CD1 4.07Å; Y357-F374 AromaticContact CE1-CD2 3.17Å; Y357-F374 HydrophobicContact CE1-CD2 3.17Å; Y357-F374 HydrophobicContact CE1-CE1 4.14Å; Y357-F374 AromaticContact CE1-CE2 3.28Å; Y357-F374 HydrophobicContact CE1-CE2 3.28Å; Y357-F374 AromaticContact CE1-CG 3.58Å; Y357-F374 HydrophobicContact CE1-CG 3.58Å; Y357-F374 AromaticContact CE1-CZ 3.77Å; Y357-F374 HydrophobicContact CE1-CZ 3.77Å; Y357-F374 HydrophobicContact CG-CE1 4.29Å; Y357-F374 HydrophobicContact CG-CE2 4.13Å; Y357-F374 AromaticContact CG-CZ 3.88Å; Y357-F374 HydrophobicContact CG-CZ 3.88Å |
| 358 | P | 92.7 | Very high | 87.2 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.1 | -36.3 | 173.8 | -27.5 | 41.1 | 0 | 0 | 0 | 111.8 | Y126 W137 V353 I355 A360 S362 F375 | Y126-P358 HydrophobicContact CE1-CB 4.16Å; Y126-P358 HydrophobicContact CE1-CG 4.09Å; W137-P358 HydrophobicContact CD2-CB 4.42Å; W137-P358 HydrophobicContact CG-CB 4.38Å; W137-P358 PolarHBondContact NE1-O 3.46Å; W137-P358 VanDerWaalsContact NE1-O 3.11Å; V353-P358 WeakPolarHBondContact O-CD 3.25Å; V353-P358 WeakPolarHBondContact O-CG 3.41Å; I355-P358 WeakPolarHBondContact O-CD 3.44Å; P358-A360 VanDerWaalsContact C-N 3.33Å; P358-S362 VanDerWaalsContact O-CB 3.26Å; P358-S362 WeakPolarHBondContact O-CB 3.47Å; P358-S362 PolarHBondContact O-N 3.48Å; P358-F375 HydrophobicContact CB-CZ 4.3Å; P358-F375 HydrophobicContact CG-CE2 4.39Å; P358-F375 HydrophobicContact CG-CZ 3.65Å |
| 359 | R | 91.4 | Very high | 88.8 | Confident | 55 Ų | 55 | 30.2 Ų | 30.2 | 21% | 0.208 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.7 | -43.6 | 168.6 | -172.7 | -177.7 | 179.4 | 178.1 | -0.2 | 111.1 | D152 A175 M333 I355 I356 Y357 S362 T363 | D152-R359 IonicContact OD1-CZ 3.21Å; D152-R359 IonicContact OD1-NE 2.98Å; D152-R359 PolarHBondContact OD1-NE 3.4Å; D152-R359 IonicContact OD1-NH2 2.66Å; D152-R359 PolarHBondContact OD1-NH2 3.47Å; D152-R359 WeakPolarHBondContact OD2-CG 3.42Å; D152-R359 IonicContact OD2-NE 3.23Å; D152-R359 PolarHBondContact OD2-NE 3.12Å; A175-R359 HydrophobicContact CB-CB 3.77Å; A175-R359 HydrophobicContact CB-CG 4.42Å; M333-R359 HydrophobicContact CE-CB 3.82Å; M333-R359 HydrophobicContact CE-CG 3.82Å; I355-R359 VanDerWaalsContact O-CB 3.3Å; I355-R359 WeakPolarHBondContact O-CB 3.46Å; I355-R359 PolarHBondContact O-N 3Å; I355-R359 VanDerWaalsContact O-N 3.12Å; I356-R359 WeakPolarHBondContact O-CB 3.42Å; I356-R359 PolarHBondContact O-N 3.31Å; Y357-R359 VanDerWaalsContact C-N 3.29Å; Y357-R359 PolarHBondContact O-N 2.93Å; R359-S362 WeakPolarHBondContact O-CB 3.28Å; R359-S362 PolarHBondContact O-N 3.19Å; R359-S362 VanDerWaalsContact O-N 3.12Å; R359-S362 PolarHBondContact O-OG 3.1Å; R359-T363 PolarHBondContact O-N 3.3Å |
| 360 | A | 90.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.6 | -45.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T329 M333 I356 Y357 P358 S362 T363 | T329-A360 HydrophobicContact CG2-CB 3.32Å; M333-A360 HydrophobicContact CB-CB 4.45Å; M333-A360 HydrophobicContact CE-CB 3.37Å; I356-A360 PolarHBondContact O-N 2.93Å; Y357-A360 WeakPolarHBondContact O-CA 3.43Å; Y357-A360 VanDerWaalsContact O-CB 3.29Å; Y357-A360 WeakPolarHBondContact O-CB 3.37Å; Y357-A360 PolarHBondContact O-N 2.91Å; P358-A360 VanDerWaalsContact C-N 3.33Å; A360-S362 PolarHBondContact O-N 3Å; A360-T363 PolarHBondContact O-N 3.35Å; A360-T363 PolarHBondContact O-OG1 3.04Å |
| 361 | I | 92.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.1 | -36.4 | 173.9 | -72.3 | 164.1 | 0 | 0 | 0 | 110.2 | Y357 T363 M364 A367 W370 F374 | Y357-I361 HydrophobicContact CD1-CD1 3.45Å; Y357-I361 VanDerWaalsContact CD1-CD1 3.45Å; Y357-I361 HydrophobicContact CD1-CG1 4.01Å; Y357-I361 HydrophobicContact CE1-CD1 3.42Å; Y357-I361 VanDerWaalsContact CE1-CD1 3.42Å; Y357-I361 HydrophobicContact CE1-CG1 3.84Å; Y357-I361 PolarHBondContact O-N 2.96Å; I361-T363 PolarHBondContact O-N 3.13Å; I361-M364 WeakPolarHBondContact O-CB 3.34Å; I361-M364 PolarHBondContact O-N 3.5Å; I361-A367 HydrophobicContact CG2-CB 4.16Å; I361-A367 VanDerWaalsContact CG2-O 3.32Å; I361-A367 WeakPolarHBondContact CG2-O 3.39Å; I361-A367 WeakPolarHBondContact O-CB 3.46Å; I361-W370 HydrophobicContact CG2-CB 3.88Å; I361-F374 HydrophobicContact CD1-CB 3.82Å; I361-F374 HydrophobicContact CD1-CD1 3.98Å; I361-F374 HydrophobicContact CD1-CG 3.93Å |
| 362 | S | 91.4 | Very high | 92.1 | Very high | 15 Ų | 15 | 30.2 Ų | 30.2 | 11% | 0.105 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.4 | -20.8 | -176.4 | 89.6 | 0 | 0 | 0 | 0 | 114.2 | Q138 P358 R359 A360 | Q138-S362 PolarHBondContact NE2-O 3.1Å; P358-S362 VanDerWaalsContact O-CB 3.26Å; P358-S362 WeakPolarHBondContact O-CB 3.47Å; P358-S362 PolarHBondContact O-N 3.48Å; R359-S362 WeakPolarHBondContact O-CB 3.28Å; R359-S362 PolarHBondContact O-N 3.19Å; R359-S362 VanDerWaalsContact O-N 3.12Å; R359-S362 PolarHBondContact O-OG 3.1Å; A360-S362 PolarHBondContact O-N 3Å |
| 363 | T | 88.6 | Confident | 92.8 | Very high | 32 Ų | 32 | 32.3 Ų | 32.3 | 20% | 0.196 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -12.5 | 174 | 65.6 | 0 | 0 | 0 | 0 | 112.7 | Y332 R359 A360 I361 | Y332-T363 VanDerWaalsContact CE1-OG1 3.23Å; Y332-T363 WeakPolarHBondContact CE1-OG1 3.41Å; Y332-T363 PolarHBondContact OH-O 3.45Å; R359-T363 PolarHBondContact O-N 3.3Å; A360-T363 PolarHBondContact O-N 3.35Å; A360-T363 PolarHBondContact O-OG1 3.04Å; I361-T363 PolarHBondContact O-N 3.13Å |
| 364 | M | 90.5 | Very high | 93.2 | Very high | 10 Ų | 10 | 32.3 Ų | 32.3 | 5% | 0.049 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -81.8 | 146.5 | -178.9 | -57.8 | 179.6 | -171.9 | 0 | 0 | 112.3 | L249 T329 Y332 I361 G366 A367 W370 | L249-M364 HydrophobicContact CD1-CE 3.64Å; L249-M364 HydrophobicContact CD1-CG 4.14Å; L249-M364 HydrophobicContact CD1-SD 3.95Å; T329-M364 HydrophobicContact CG2-CE 3.2Å; Y332-M364 HydrophobicContact CD1-CE 4.43Å; Y332-M364 HydrophobicContact CD1-CG 4.11Å; Y332-M364 HydrophobicContact CE1-CG 3.83Å; I361-M364 WeakPolarHBondContact O-CB 3.34Å; I361-M364 PolarHBondContact O-N 3.5Å; M364-G366 PolarHBondContact O-N 3.27Å; M364-A367 WeakPolarHBondContact O-CB 3.23Å; M364-A367 PolarHBondContact O-N 2.92Å; M364-W370 HydrophobicContact SD-CG 4.44Å |
| 365 | R | 90.1 | Very high | 93.4 | Very high | 236 Ų | 236 | 32.2 Ų | 32.2 | 89% | 0.891 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | 130.7 | 168.4 | -176.2 | 177.3 | 163.1 | 176 | -4.4 | 109.8 | W370 | R365-W370 PolarHBondContact O-NE1 3.22Š|
| 366 | G | 92.9 | Very high | 93.6 | Very high | 39 Ų | 39 | 34.1 Ų | 34.1 | 40% | 0.402 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 25.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | M364 P368 V369 | M364-G366 PolarHBondContact O-N 3.27Å; G366-P368 VanDerWaalsContact C-N 3.25Å; G366-P368 WeakPolarHBondContact O-CD 3.25Å; G366-V369 WeakPolarHBondContact O-CB 3.5Å; G366-V369 PolarHBondContact O-N 3.44Å |
| 367 | A | 94.2 | Very high | 94 | Very high | 4 Ų | 4 | 33.5 Ų | 33.5 | 3% | 0.033 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -40 | -40.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | L135 I361 M364 V369 W370 S371 | L135-A367 HydrophobicContact CD1-CB 3.65Å; I361-A367 HydrophobicContact CG2-CB 4.16Å; I361-A367 VanDerWaalsContact CG2-O 3.32Å; I361-A367 WeakPolarHBondContact CG2-O 3.39Å; I361-A367 WeakPolarHBondContact O-CB 3.46Å; M364-A367 WeakPolarHBondContact O-CB 3.23Å; M364-A367 PolarHBondContact O-N 2.92Å; A367-V369 VanDerWaalsContact C-N 3.33Å; A367-V369 PolarHBondContact O-N 3.18Å; A367-W370 PolarHBondContact O-N 3.09Å; A367-S371 VanDerWaalsContact O-CB 3.27Å; A367-S371 WeakPolarHBondContact O-CB 3.06Å; A367-S371 PolarHBondContact O-N 2.89Å |
| 368 | P | 96.8 | Very high | 94.4 | Very high | 29 Ų | 29 | 33.5 Ų | 33.5 | 19% | 0.188 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -56.4 | -41.3 | 176.1 | -28.9 | 38.5 | 0 | 0 | 0 | 114.1 | S130 Q132 L135 G366 S371 V372 | S130-P368 WeakPolarHBondContact O-CB 3.39Å; Q132-P368 WeakPolarHBondContact O-CG 3.35Å; L135-P368 HydrophobicContact CD2-CG 4.46Å; G366-P368 VanDerWaalsContact C-N 3.25Å; G366-P368 WeakPolarHBondContact O-CD 3.25Å; P368-S371 PolarHBondContact O-N 3.43Å; P368-V372 WeakPolarHBondContact O-CG2 3.29Å; P368-V372 PolarHBondContact O-N 2.86Å |
| 369 | V | 96.7 | Very high | 94.6 | Very high | 91 Ų | 91 | 34 Ų | 34 | 55% | 0.552 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -65.1 | -47.8 | -179 | 177.6 | 0 | 0 | 0 | 0 | 110.7 | G366 A367 S371 V372 L373 | G366-V369 WeakPolarHBondContact O-CB 3.5Å; G366-V369 PolarHBondContact O-N 3.44Å; A367-V369 VanDerWaalsContact C-N 3.33Å; A367-V369 PolarHBondContact O-N 3.18Å; V369-S371 VanDerWaalsContact C-N 3.32Å; V369-S371 PolarHBondContact O-N 3.44Å; V369-V372 PolarHBondContact O-N 2.95Å; V369-L373 HydrophobicContact CG1-CD1 4.44Å; V369-L373 WeakPolarHBondContact O-CG 3.45Å; V369-L373 PolarHBondContact O-N 3.29Å; V369-L373 VanDerWaalsContact O-N 3.07Å |
| 370 | W | 96 | Very high | 94.9 | Very high | 45 Ų | 45 | 31.5 Ų | 31.5 | 17% | 0.17 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.6 | -36.2 | 179.1 | -53.8 | 121.4 | 0 | 0 | 0 | 111.9 | L242 H245 I361 M364 R365 A367 L373 F374 | L242-W370 HydrophobicContact CD2-CB 4.17Å; L242-W370 HydrophobicContact CD2-CE3 3.91Å; H245-W370 HydrophobicContact CB-CE3 4.42Å; H245-W370 HydrophobicContact CB-CH2 3.41Å; H245-W370 VanDerWaalsContact CB-CH2 3.41Å; H245-W370 HydrophobicContact CB-CZ2 3.77Å; H245-W370 HydrophobicContact CB-CZ3 3.76Å; H245-W370 AromaticContact CD2-CD2 3.77Å; H245-W370 AromaticContact CD2-CE2 3.2Å; H245-W370 AromaticContact CD2-CH2 3.84Å; H245-W370 AromaticContact CD2-CZ2 3.26Å; H245-W370 WeakPolarHBondContact CD2-CZ2 3.48Å; H245-W370 AromaticContact CD2-NE1 3.49Å; H245-W370 PolarHBondContact CD2-NE1 3.35Å; H245-W370 AromaticContact CE1-CZ2 3.8Å; H245-W370 AromaticContact CG-CE2 3.74Å; H245-W370 AromaticContact CG-CH2 3.48Å; H245-W370 VanDerWaalsContact CG-CH2 3.48Å; H245-W370 AromaticContact CG-CZ2 3.25Å; H245-W370 AromaticContact ND1-CZ2 3.61Å; H245-W370 AromaticContact NE2-CE2 3.51Å; H245-W370 AromaticContact NE2-CZ2 3.61Å; H245-W370 AromaticContact NE2-NE1 3.35Å; H245-W370 PolarHBondContact NE2-NE1 3.26Å; I361-W370 HydrophobicContact CG2-CB 3.88Å; M364-W370 HydrophobicContact SD-CG 4.44Å; R365-W370 PolarHBondContact O-NE1 3.22Å; A367-W370 PolarHBondContact O-N 3.09Å; W370-L373 HydrophobicContact CE3-CD1 4.01Å; W370-L373 HydrophobicContact CZ3-CD1 4.15Å; W370-L373 PolarHBondContact O-N 2.65Å; W370-F374 VanDerWaalsContact O-CB 3.28Å; W370-F374 WeakPolarHBondContact O-CB 3.14Å; W370-F374 PolarHBondContact O-N 3.31Å |
| 371 | S | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.8 | -45.7 | 175.5 | -176 | 0 | 0 | 0 | 0 | 112 | S130 W137 A367 P368 V369 F374 F375 | S130-S371 WeakPolarHBondContact CB-OG 3.16Å; S130-S371 PolarHBondContact OG-OG 3.5Å; W137-S371 VanDerWaalsContact CZ2-OG 3.28Å; W137-S371 WeakPolarHBondContact CZ2-OG 3.34Å; A367-S371 VanDerWaalsContact O-CB 3.27Å; A367-S371 WeakPolarHBondContact O-CB 3.06Å; A367-S371 PolarHBondContact O-N 2.89Å; P368-S371 PolarHBondContact O-N 3.43Å; V369-S371 VanDerWaalsContact C-N 3.32Å; V369-S371 PolarHBondContact O-N 3.44Å; S371-F374 PolarHBondContact O-N 3.42Å; S371-F375 VanDerWaalsContact O-CD2 3.23Å; S371-F375 WeakPolarHBondContact O-CD2 3.44Å; S371-F375 PolarHBondContact O-N 2.97Å; S371-F375 WeakPolarHBondContact OG-CD2 3.37Å; S371-F375 WeakPolarHBondContact OG-CE2 3.42Å |
| 372 | V | 97.8 | Very high | 95.3 | Very high | 36 Ų | 36 | 31.6 Ų | 31.6 | 22% | 0.218 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.3 | -48.6 | 175.3 | 170.1 | 0 | 0 | 0 | 0 | 110.6 | L127 F131 P368 V369 F374 M376 | L127-V372 HydrophobicContact CD1-CB 4.44Å; L127-V372 HydrophobicContact CD1-CG1 4.12Å; F131-V372 HydrophobicContact CD1-CG2 4.11Å; F131-V372 HydrophobicContact CE1-CG1 4.34Å; F131-V372 HydrophobicContact CE1-CG2 3.82Å; F131-V372 HydrophobicContact CE2-CG2 4.4Å; F131-V372 HydrophobicContact CZ-CG1 4.22Å; F131-V372 HydrophobicContact CZ-CG2 3.98Å; P368-V372 WeakPolarHBondContact O-CG2 3.29Å; P368-V372 PolarHBondContact O-N 2.86Å; V369-V372 PolarHBondContact O-N 2.95Å; V372-F374 VanDerWaalsContact C-N 3.33Å; V372-F374 PolarHBondContact O-N 3.37Å; V372-M376 WeakPolarHBondContact O-CB 3.41Å; V372-M376 PolarHBondContact O-N 3.3Å |
| 373 | L | 96.9 | Very high | 95.6 | Very high | 49 Ų | 49 | 31.2 Ų | 31.2 | 26% | 0.257 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -58.8 | -44.6 | 178.2 | -72.3 | 173.8 | 0 | 0 | 0 | 112 | A238 V369 W370 M377 | A238-L373 HydrophobicContact CB-CB 4.44Å; A238-L373 WeakPolarHBondContact CB-O 3.45Å; V369-L373 HydrophobicContact CG1-CD1 4.44Å; V369-L373 WeakPolarHBondContact O-CG 3.45Å; V369-L373 PolarHBondContact O-N 3.29Å; V369-L373 VanDerWaalsContact O-N 3.07Å; W370-L373 HydrophobicContact CE3-CD1 4.01Å; W370-L373 HydrophobicContact CZ3-CD1 4.15Å; W370-L373 PolarHBondContact O-N 2.65Å; L373-M377 WeakPolarHBondContact O-CB 3.38Å; L373-M377 PolarHBondContact O-N 3.16Å |
| 374 | F | 96.7 | Very high | 95.9 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 0% | 0.004 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.8 | -51.1 | -179.1 | -179.5 | -109.6 | 0 | 0 | 0 | 112.7 | V42 L242 I326 V353 Y357 I361 W370 S371 V372 M376 M377 L378 | V42-F374 HydrophobicContact CG1-CE2 4.28Å; L242-F374 HydrophobicContact CD1-CB 4.18Å; L242-F374 HydrophobicContact CD1-CD2 4.07Å; I326-F374 HydrophobicContact CD1-CE2 4.46Å; V353-F374 HydrophobicContact CB-CZ 4.32Å; V353-F374 HydrophobicContact CG1-CE1 3.95Å; V353-F374 HydrophobicContact CG1-CZ 3.78Å; V353-F374 HydrophobicContact CG2-CZ 4.02Å; Y357-F374 AromaticContact CD1-CD1 3.7Å; Y357-F374 HydrophobicContact CD1-CD1 3.7Å; Y357-F374 AromaticContact CD1-CD2 3.53Å; Y357-F374 HydrophobicContact CD1-CD2 3.53Å; Y357-F374 AromaticContact CD1-CE1 3.43Å; Y357-F374 HydrophobicContact CD1-CE1 3.43Å; Y357-F374 VanDerWaalsContact CD1-CE1 3.43Å; Y357-F374 AromaticContact CD1-CE2 3.27Å; Y357-F374 HydrophobicContact CD1-CE2 3.27Å; Y357-F374 AromaticContact CD1-CG 3.72Å; Y357-F374 HydrophobicContact CD1-CG 3.72Å; Y357-F374 AromaticContact CD1-CZ 3.2Å; Y357-F374 HydrophobicContact CD1-CZ 3.2Å; Y357-F374 HydrophobicContact CE1-CB 4.3Å; Y357-F374 HydrophobicContact CE1-CD1 4.07Å; Y357-F374 AromaticContact CE1-CD2 3.17Å; Y357-F374 HydrophobicContact CE1-CD2 3.17Å; Y357-F374 HydrophobicContact CE1-CE1 4.14Å; Y357-F374 AromaticContact CE1-CE2 3.28Å; Y357-F374 HydrophobicContact CE1-CE2 3.28Å; Y357-F374 AromaticContact CE1-CG 3.58Å; Y357-F374 HydrophobicContact CE1-CG 3.58Å; Y357-F374 AromaticContact CE1-CZ 3.77Å; Y357-F374 HydrophobicContact CE1-CZ 3.77Å; Y357-F374 HydrophobicContact CG-CE1 4.29Å; Y357-F374 HydrophobicContact CG-CE2 4.13Å; Y357-F374 AromaticContact CG-CZ 3.88Å; Y357-F374 HydrophobicContact CG-CZ 3.88Å; I361-F374 HydrophobicContact CD1-CB 3.82Å; I361-F374 HydrophobicContact CD1-CD1 3.98Å; I361-F374 HydrophobicContact CD1-CG 3.93Å; W370-F374 VanDerWaalsContact O-CB 3.28Å; W370-F374 WeakPolarHBondContact O-CB 3.14Å; W370-F374 PolarHBondContact O-N 3.31Å; S371-F374 PolarHBondContact O-N 3.42Å; V372-F374 VanDerWaalsContact C-N 3.33Å; V372-F374 PolarHBondContact O-N 3.37Å; F374-M376 VanDerWaalsContact C-N 3.34Å; F374-M376 PolarHBondContact O-N 3.04Å; F374-M377 HydrophobicContact CD2-CE 3.42Å; F374-M377 VanDerWaalsContact CD2-CE 3.42Å; F374-M377 HydrophobicContact CE2-CE 3.62Å; F374-M377 HydrophobicContact CG-CE 4.44Å; F374-M377 WeakPolarHBondContact O-CB 3.44Å; F374-M377 PolarHBondContact O-N 3.3Å; F374-L378 HydrophobicContact CD1-CD1 3.99Å; F374-L378 HydrophobicContact CE1-CD1 3.48Å; F374-L378 VanDerWaalsContact CE1-CD1 3.48Å; F374-L378 HydrophobicContact CE1-CG 4.29Å; F374-L378 HydrophobicContact CE2-CD1 4.47Å; F374-L378 HydrophobicContact CZ-CD1 3.76Å; F374-L378 HydrophobicContact CZ-CD2 4.32Å; F374-L378 HydrophobicContact CZ-CG 4.24Å; F374-L378 WeakPolarHBondContact O-CG 3.45Å; F374-L378 PolarHBondContact O-N 2.81Å |
| 375 | F | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -72.8 | -27.8 | -179.2 | -71.3 | -66.7 | 0 | 0 | 0 | 112.8 | A123 Y126 L127 W137 F354 P358 S371 M377 L378 L379 | A123-F375 HydrophobicContact CB-CD1 4.42Å; Y126-F375 VanDerWaalsContact CB-CD1 3.49Å; Y126-F375 VanDerWaalsContact CB-CZ 3.41Å; Y126-F375 AromaticContact CD1-CE1 3.79Å; Y126-F375 HydrophobicContact CD1-CE1 3.79Å; Y126-F375 AromaticContact CD1-CE2 3.56Å; Y126-F375 HydrophobicContact CD1-CE2 3.56Å; Y126-F375 AromaticContact CD1-CZ 3.11Å; Y126-F375 HydrophobicContact CD1-CZ 3.11Å; Y126-F375 HydrophobicContact CD2-CE1 4.17Å; Y126-F375 HydrophobicContact CD2-CZ 4.32Å; Y126-F375 AromaticContact CE1-CZ 3.89Å; Y126-F375 HydrophobicContact CE1-CZ 3.89Å; Y126-F375 HydrophobicContact CG-CD1 4.18Å; Y126-F375 AromaticContact CG-CE1 3.52Å; Y126-F375 HydrophobicContact CG-CE1 3.52Å; Y126-F375 AromaticContact CG-CE2 3.91Å; Y126-F375 HydrophobicContact CG-CE2 3.91Å; Y126-F375 AromaticContact CG-CZ 3.36Å; Y126-F375 HydrophobicContact CG-CZ 3.36Å; L127-F375 HydrophobicContact CB-CB 3.92Å; L127-F375 HydrophobicContact CD1-CB 4.26Å; W137-F375 HydrophobicContact CH2-CE2 4.1Å; W137-F375 HydrophobicContact CZ2-CE2 4.11Å; F354-F375 HydrophobicContact CD1-CE1 4.01Å; F354-F375 HydrophobicContact CE1-CE1 4.02Å; P358-F375 HydrophobicContact CB-CZ 4.3Å; P358-F375 HydrophobicContact CG-CE2 4.39Å; P358-F375 HydrophobicContact CG-CZ 3.65Å; S371-F375 VanDerWaalsContact O-CD2 3.23Å; S371-F375 WeakPolarHBondContact O-CD2 3.44Å; S371-F375 PolarHBondContact O-N 2.97Å; S371-F375 WeakPolarHBondContact OG-CD2 3.37Å; S371-F375 WeakPolarHBondContact OG-CE2 3.42Å; F375-M377 VanDerWaalsContact C-N 3.34Å; F375-L378 HydrophobicContact CD1-CD1 3.78Å; F375-L378 HydrophobicContact CE1-CD1 4.04Å; F375-L378 PolarHBondContact O-N 2.86Å; F375-L379 VanDerWaalsContact O-CB 3.23Å; F375-L379 WeakPolarHBondContact O-CB 3.24Å; F375-L379 PolarHBondContact O-N 3.47Å |
| 376 | M | 97.3 | Very high | 96.4 | Very high | 59 Ų | 59 | 19.2 Ų | 19.2 | 29% | 0.291 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -66.6 | -37.7 | 171.1 | -165 | 65.7 | -172.7 | 0 | 0 | 111.9 | L127 F230 V372 F374 L379 S380 | L127-M376 HydrophobicContact CD1-CB 4.49Å; L127-M376 HydrophobicContact CD2-SD 3.74Å; F230-M376 HydrophobicContact CE1-CE 3.43Å; F230-M376 VanDerWaalsContact CE1-CE 3.43Å; F230-M376 HydrophobicContact CZ-CE 3.29Å; V372-M376 WeakPolarHBondContact O-CB 3.41Å; V372-M376 PolarHBondContact O-N 3.3Å; F374-M376 VanDerWaalsContact C-N 3.34Å; F374-M376 PolarHBondContact O-N 3.04Å; M376-L379 HydrophobicContact SD-CD2 4.22Å; M376-S380 WeakPolarHBondContact O-CB 3.46Å; M376-S380 PolarHBondContact O-N 3.16Å; M376-S380 PolarHBondContact O-OG 3.45Å |
| 377 | M | 97 | Very high | 96.4 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.9 | -51.9 | 171.2 | 165.7 | -176 | 77.2 | 0 | 0 | 111.5 | V42 P235 A238 L239 L373 F374 F375 L379 S380 L381 | V42-M377 HydrophobicContact CG1-CE 3.83Å; V42-M377 HydrophobicContact CG2-CE 4.3Å; V42-M377 HydrophobicContact CG2-SD 4.39Å; P235-M377 HydrophobicContact CB-CG 3.91Å; P235-M377 HydrophobicContact CG-CG 4.48Å; A238-M377 HydrophobicContact CB-CB 3.59Å; A238-M377 HydrophobicContact CB-CG 4.24Å; A238-M377 HydrophobicContact CB-SD 4.04Å; L239-M377 HydrophobicContact CD1-SD 4.49Å; L239-M377 HydrophobicContact CD2-CE 4.34Å; L239-M377 HydrophobicContact CD2-SD 3.56Å; L239-M377 VanDerWaalsContact CD2-SD 3.56Å; L239-M377 HydrophobicContact CG-SD 3.58Å; L239-M377 VanDerWaalsContact CG-SD 3.58Å; L373-M377 WeakPolarHBondContact O-CB 3.38Å; L373-M377 PolarHBondContact O-N 3.16Å; F374-M377 HydrophobicContact CD2-CE 3.42Å; F374-M377 VanDerWaalsContact CD2-CE 3.42Å; F374-M377 HydrophobicContact CE2-CE 3.62Å; F374-M377 HydrophobicContact CG-CE 4.44Å; F374-M377 WeakPolarHBondContact O-CB 3.44Å; F374-M377 PolarHBondContact O-N 3.3Å; F375-M377 VanDerWaalsContact C-N 3.34Å; M377-L379 VanDerWaalsContact C-N 3.29Å; M377-L379 PolarHBondContact O-N 3.13Å; M377-S380 PolarHBondContact O-N 2.91Å; M377-S380 VanDerWaalsContact O-N 3.13Å; M377-L381 HydrophobicContact CG-CD1 3.73Å; M377-L381 HydrophobicContact CG-CG 4.25Å; M377-L381 WeakPolarHBondContact O-CB 3.26Å; M377-L381 VanDerWaalsContact O-CG 3.29Å; M377-L381 WeakPolarHBondContact O-CG 3.23Å; M377-L381 PolarHBondContact O-N 3.47Å |
| 378 | L | 96.7 | Very high | 96.5 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59.4 | -42.3 | 179.5 | -64.9 | 175.7 | 0 | 0 | 0 | 112 | L39 V42 A123 V353 F374 F375 S380 G382 | L39-L378 HydrophobicContact CD2-CB 3.9Å; L39-L378 HydrophobicContact CD2-CD2 3.63Å; L39-L378 HydrophobicContact CD2-CG 4.34Å; L39-L378 WeakPolarHBondContact CD2-O 3.42Å; V42-L378 HydrophobicContact CB-CD2 4.47Å; V42-L378 HydrophobicContact CG1-CD2 4.13Å; A123-L378 HydrophobicContact CB-CB 4.03Å; V353-L378 HydrophobicContact CG1-CD1 3.32Å; V353-L378 HydrophobicContact CG1-CD2 4.04Å; V353-L378 HydrophobicContact CG1-CG 4.33Å; F374-L378 HydrophobicContact CD1-CD1 3.99Å; F374-L378 HydrophobicContact CE1-CD1 3.48Å; F374-L378 VanDerWaalsContact CE1-CD1 3.48Å; F374-L378 HydrophobicContact CE1-CG 4.29Å; F374-L378 HydrophobicContact CE2-CD1 4.47Å; F374-L378 HydrophobicContact CZ-CD1 3.76Å; F374-L378 HydrophobicContact CZ-CD2 4.32Å; F374-L378 HydrophobicContact CZ-CG 4.24Å; F374-L378 WeakPolarHBondContact O-CG 3.45Å; F374-L378 PolarHBondContact O-N 2.81Å; F375-L378 HydrophobicContact CD1-CD1 3.78Å; F375-L378 HydrophobicContact CE1-CD1 4.04Å; F375-L378 PolarHBondContact O-N 2.86Å; L378-S380 VanDerWaalsContact C-N 3.35Å; L378-G382 PolarHBondContact O-N 2.75Å |
| 379 | L | 97.2 | Very high | 96.4 | Very high | 11 Ų | 11 | 17 Ų | 17 | 6% | 0.058 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -58.2 | -48.8 | 175 | -178.4 | 61.8 | 0 | 0 | 0 | 110.6 | I120 L124 L127 I209 F375 M376 M377 I383 | I120-L379 HydrophobicContact CG2-CD1 3.51Å; L124-L379 HydrophobicContact CB-CD1 4.36Å; L124-L379 HydrophobicContact CD1-CD2 4.2Å; L127-L379 HydrophobicContact CD2-CD2 3.73Å; I209-L379 HydrophobicContact CD1-CD1 3.48Å; I209-L379 VanDerWaalsContact CD1-CD1 3.48Å; F375-L379 VanDerWaalsContact O-CB 3.23Å; F375-L379 WeakPolarHBondContact O-CB 3.24Å; F375-L379 PolarHBondContact O-N 3.47Å; M376-L379 HydrophobicContact SD-CD2 4.22Å; M377-L379 VanDerWaalsContact C-N 3.29Å; M377-L379 PolarHBondContact O-N 3.13Å; L379-I383 HydrophobicContact CD1-CD1 3.59Å; L379-I383 HydrophobicContact CD1-CG1 4.13Å; L379-I383 HydrophobicContact CG-CD1 3.69Å; L379-I383 HydrophobicContact CG-CG1 4.49Å; L379-I383 WeakPolarHBondContact O-CB 3.32Å; L379-I383 WeakPolarHBondContact O-CD1 3.39Å; L379-I383 WeakPolarHBondContact O-CG1 3.48Å; L379-I383 PolarHBondContact O-N 2.78Å |
| 380 | S | 97.3 | Very high | 96.4 | Very high | 2 Ų | 2 | 12.8 Ų | 12.8 | 1% | 0.014 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -64.6 | -45.6 | -178.6 | -57 | 0 | 0 | 0 | 0 | 112.7 | T231 M376 M377 L378 I383 D384 | T231-S380 WeakPolarHBondContact O-CB 3.41Å; M376-S380 WeakPolarHBondContact O-CB 3.46Å; M376-S380 PolarHBondContact O-N 3.16Å; M376-S380 PolarHBondContact O-OG 3.45Å; M377-S380 PolarHBondContact O-N 2.91Å; M377-S380 VanDerWaalsContact O-N 3.13Å; L378-S380 VanDerWaalsContact C-N 3.35Å; S380-I383 PolarHBondContact O-N 3.4Å; S380-D384 PolarHBondContact O-N 2.67Å |
| 381 | L | 97.1 | Very high | 96.3 | Very high | 3 Ų | 3 | 10.8 Ų | 10.8 | 2% | 0.016 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -58.4 | -50.1 | 177.1 | -70.9 | 172.1 | 0 | 0 | 0 | 111.6 | V37 L39 V42 P235 M377 I383 D384 S385 | V37-L381 HydrophobicContact CB-CD2 4.46Å; V37-L381 HydrophobicContact CG1-CD2 3.72Å; V37-L381 WeakPolarHBondContact O-CD2 3.28Å; L39-L381 HydrophobicContact CD2-CB 4.28Å; V42-L381 HydrophobicContact CB-CD1 4.45Å; V42-L381 HydrophobicContact CG2-CD1 3.42Å; V42-L381 VanDerWaalsContact CG2-CD1 3.42Å; P235-L381 HydrophobicContact CB-CD1 4.47Å; P235-L381 HydrophobicContact CB-CD2 3.67Å; P235-L381 HydrophobicContact CB-CG 3.96Å; P235-L381 HydrophobicContact CG-CD2 3.54Å; P235-L381 HydrophobicContact CG-CG 3.7Å; M377-L381 HydrophobicContact CG-CD1 3.73Å; M377-L381 HydrophobicContact CG-CG 4.25Å; M377-L381 WeakPolarHBondContact O-CB 3.26Å; M377-L381 VanDerWaalsContact O-CG 3.29Å; M377-L381 WeakPolarHBondContact O-CG 3.23Å; M377-L381 PolarHBondContact O-N 3.47Å; L381-I383 VanDerWaalsContact C-N 3.34Å; L381-I383 PolarHBondContact O-N 3.45Å; L381-D384 PolarHBondContact O-N 2.9Å; L381-S385 PolarHBondContact O-N 2.97Å; L381-S385 PolarHBondContact O-OG 3.25Å |
| 382 | G | 96.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -67.3 | -38.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y116 I120 L378 D384 S385 T386 | Y116-G382 WeakPolarHBondContact CE1-O 3.45Å; I120-G382 VanDerWaalsContact CD1-O 3.27Å; I120-G382 WeakPolarHBondContact CD1-O 3.17Å; L378-G382 PolarHBondContact O-N 2.75Å; G382-D384 PolarHBondContact O-N 3.44Å; G382-S385 PolarHBondContact O-N 3.48Å; G382-T386 PolarHBondContact O-N 3.27Å; G382-T386 PolarHBondContact O-OG1 2.81Å |
| 383 | I | 96.3 | Very high | 96.2 | Very high | 7 Ų | 7 | 9 Ų | 9 | 4% | 0.036 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -60 | -45.9 | 177.6 | -79.5 | -179.8 | 0 | 0 | 0 | 110.9 | I120 I212 T231 L379 S380 L381 S385 T386 F387 | I120-I383 HydrophobicContact CG2-CG1 4.2Å; I212-I383 HydrophobicContact CD1-CD1 4.5Å; I212-I383 HydrophobicContact CG2-CD1 4.11Å; T231-I383 HydrophobicContact CG2-CG2 3.88Å; L379-I383 HydrophobicContact CD1-CD1 3.59Å; L379-I383 HydrophobicContact CD1-CG1 4.13Å; L379-I383 HydrophobicContact CG-CD1 3.69Å; L379-I383 HydrophobicContact CG-CG1 4.49Å; L379-I383 WeakPolarHBondContact O-CB 3.32Å; L379-I383 WeakPolarHBondContact O-CD1 3.39Å; L379-I383 WeakPolarHBondContact O-CG1 3.48Å; L379-I383 PolarHBondContact O-N 2.78Å; S380-I383 PolarHBondContact O-N 3.4Å; L381-I383 VanDerWaalsContact C-N 3.34Å; L381-I383 PolarHBondContact O-N 3.45Å; I383-S385 PolarHBondContact O-N 2.77Å; I383-T386 PolarHBondContact O-N 2.9Å; I383-F387 HydrophobicContact CB-CE1 4.24Å; I383-F387 HydrophobicContact CB-CZ 4.3Å; I383-F387 HydrophobicContact CG2-CD1 4.02Å; I383-F387 HydrophobicContact CG2-CD2 4.25Å; I383-F387 HydrophobicContact CG2-CE1 3.18Å; I383-F387 HydrophobicContact CG2-CE2 3.48Å; I383-F387 VanDerWaalsContact CG2-CE2 3.48Å; I383-F387 HydrophobicContact CG2-CZ 2.92Å; I383-F387 WeakPolarHBondContact O-CD1 3.19Å; I383-F387 WeakPolarHBondContact O-CE1 3.31Å; I383-F387 WeakPolarHBondContact O-CG 3.32Å; I383-F387 PolarHBondContact O-N 2.85Å |
| 384 | D | 96.2 | Very high | 96 | Very high | 4 Ų | 4 | 6.7 Ų | 6.7 | 2% | 0.021 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -60.4 | -45.2 | 178 | -84.4 | -25.1 | 0 | 0 | 0 | 112.7 | G34 T231 A232 S380 L381 G382 T386 F387 A388 | G34-D384 WeakPolarHBondContact CA-OD2 3.28Å; G34-D384 VanDerWaalsContact O-CB 3.24Å; G34-D384 WeakPolarHBondContact O-CB 3.26Å; T231-D384 VanDerWaalsContact CB-CG 3.48Å; T231-D384 WeakPolarHBondContact CB-OD1 3.37Å; T231-D384 WeakPolarHBondContact CB-OD2 3.28Å; T231-D384 VanDerWaalsContact OG1-CG 3.26Å; T231-D384 PolarHBondContact OG1-OD1 3.02Å; T231-D384 PolarHBondContact OG1-OD2 3.27Å; A232-D384 VanDerWaalsContact CA-OD2 3.29Å; A232-D384 WeakPolarHBondContact CA-OD2 3.49Å; A232-D384 PolarHBondContact N-OD2 3.42Å; S380-D384 PolarHBondContact O-N 2.67Å; L381-D384 PolarHBondContact O-N 2.9Å; G382-D384 PolarHBondContact O-N 3.44Å; D384-T386 VanDerWaalsContact C-N 3.34Å; D384-T386 PolarHBondContact O-N 2.87Å; D384-F387 PolarHBondContact O-N 2.81Å; D384-A388 WeakPolarHBondContact O-CB 3.45Å; D384-A388 PolarHBondContact O-N 3.01Å; D384-A388 VanDerWaalsContact O-N 3.09Å |
| 385 | S | 95.2 | Very high | 95.9 | Very high | 15 Ų | 15 | 6.7 Ų | 6.7 | 11% | 0.105 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -61.2 | -43.2 | 176.9 | -50.7 | 0 | 0 | 0 | 0 | 111.6 | D38 L381 G382 I383 F387 A388 G389 | D38-S385 VanDerWaalsContact CB-OG 3.32Å; D38-S385 WeakPolarHBondContact CB-OG 3.39Å; L381-S385 PolarHBondContact O-N 2.97Å; L381-S385 PolarHBondContact O-OG 3.25Å; G382-S385 PolarHBondContact O-N 3.48Å; I383-S385 PolarHBondContact O-N 2.77Å; S385-F387 PolarHBondContact O-N 2.84Å; S385-A388 PolarHBondContact O-N 3.43Å; S385-G389 PolarHBondContact O-N 3.44Å |
| 386 | T | 95.2 | Very high | 95.8 | Very high | 6 Ų | 6 | 6.7 Ų | 6.7 | 4% | 0.037 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -61.8 | -42.6 | 176.6 | -70.3 | 0 | 0 | 0 | 0 | 111.9 | N117 V213 G382 I383 D384 A388 L390 | N117-T386 WeakPolarHBondContact OD1-CG2 3.17Å; N117-T386 PolarHBondContact OD1-OG1 3.44Å; V213-T386 HydrophobicContact CB-CG2 4.46Å; V213-T386 HydrophobicContact CG1-CG2 3.84Å; V213-T386 HydrophobicContact CG2-CG2 3.68Å; G382-T386 PolarHBondContact O-N 3.27Å; G382-T386 PolarHBondContact O-OG1 2.81Å; I383-T386 PolarHBondContact O-N 2.9Å; D384-T386 VanDerWaalsContact C-N 3.34Å; D384-T386 PolarHBondContact O-N 2.87Å; T386-A388 VanDerWaalsContact C-N 3.32Å; T386-A388 PolarHBondContact O-N 3.35Å; T386-L390 HydrophobicContact CG2-CD1 3.61Å; T386-L390 HydrophobicContact CG2-CG 4.32Å; T386-L390 WeakPolarHBondContact O-CB 3.49Å; T386-L390 VanDerWaalsContact O-CG 3.29Å; T386-L390 WeakPolarHBondContact O-CG 3.22Å; T386-L390 PolarHBondContact O-N 3.37Å |
| 387 | F | 92.6 | Very high | 95.7 | Very high | 8 Ų | 8 | 6.3 Ų | 6.3 | 4% | 0.035 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -61.1 | -46.1 | 179.5 | -65.7 | 1.8 | 0 | 0 | 0 | 110.9 | I212 V213 A216 I217 A227 I383 D384 S385 E391 | I212-F387 HydrophobicContact CG2-CZ 4.17Å; V213-F387 VanDerWaalsContact CA-CE1 3.43Å; V213-F387 HydrophobicContact CB-CD1 4.18Å; V213-F387 HydrophobicContact CB-CE1 3.88Å; V213-F387 HydrophobicContact CG1-CD1 4.01Å; V213-F387 HydrophobicContact CG1-CE1 4.22Å; V213-F387 HydrophobicContact CG2-CD1 3.92Å; V213-F387 HydrophobicContact CG2-CE1 3.53Å; A216-F387 HydrophobicContact CB-CD1 4.15Å; A216-F387 HydrophobicContact CB-CD2 3.69Å; A216-F387 HydrophobicContact CB-CE1 3.69Å; A216-F387 HydrophobicContact CB-CE2 3.15Å; A216-F387 HydrophobicContact CB-CG 4.14Å; A216-F387 HydrophobicContact CB-CZ 3.08Å; I217-F387 HydrophobicContact CG2-CB 3.84Å; I217-F387 HydrophobicContact CG2-CD1 4.41Å; I217-F387 HydrophobicContact CG2-CG 4.07Å; A227-F387 HydrophobicContact CB-CD2 4.36Å; A227-F387 HydrophobicContact CB-CE2 3.71Å; I383-F387 HydrophobicContact CB-CE1 4.24Å; I383-F387 HydrophobicContact CB-CZ 4.3Å; I383-F387 HydrophobicContact CG2-CD1 4.02Å; I383-F387 HydrophobicContact CG2-CD2 4.25Å; I383-F387 HydrophobicContact CG2-CE1 3.18Å; I383-F387 HydrophobicContact CG2-CE2 3.48Å; I383-F387 VanDerWaalsContact CG2-CE2 3.48Å; I383-F387 HydrophobicContact CG2-CZ 2.92Å; I383-F387 WeakPolarHBondContact O-CD1 3.19Å; I383-F387 WeakPolarHBondContact O-CE1 3.31Å; I383-F387 WeakPolarHBondContact O-CG 3.32Å; I383-F387 PolarHBondContact O-N 2.85Å; D384-F387 PolarHBondContact O-N 2.81Å; S385-F387 PolarHBondContact O-N 2.84Å; F387-E391 VanDerWaalsContact O-CB 3.25Å; F387-E391 WeakPolarHBondContact O-CB 3.27Å; F387-E391 PolarHBondContact O-N 3.36Å |
| 388 | A | 95.9 | Very high | 95.5 | Very high | 7 Ų | 7 | 6.5 Ų | 6.5 | 6% | 0.058 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -67.9 | -43.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | F35 V290 L294 D384 S385 T386 E391 A392 | F35-A388 HydrophobicContact CB-CB 3.82Å; F35-A388 HydrophobicContact CD2-CB 3.67Å; F35-A388 HydrophobicContact CG-CB 3.96Å; V290-A388 HydrophobicContact CG1-CB 3.52Å; L294-A388 HydrophobicContact CD1-CB 4.34Å; D384-A388 WeakPolarHBondContact O-CB 3.45Å; D384-A388 PolarHBondContact O-N 3.01Å; D384-A388 VanDerWaalsContact O-N 3.09Å; S385-A388 PolarHBondContact O-N 3.43Å; T386-A388 VanDerWaalsContact C-N 3.32Å; T386-A388 PolarHBondContact O-N 3.35Å; A388-E391 PolarHBondContact O-N 3.34Å; A388-A392 PolarHBondContact O-N 3.22Å |
| 389 | G | 95.8 | Very high | 95.2 | Very high | 11 Ų | 11 | 8.3 Ų | 8.3 | 11% | 0.113 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -59.8 | -47.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S385 E391 A392 I393 | S385-G389 PolarHBondContact O-N 3.44Å; G389-E391 PolarHBondContact O-N 2.91Å; G389-A392 VanDerWaalsContact O-CB 3.29Å; G389-A392 WeakPolarHBondContact O-CB 3.25Å; G389-A392 PolarHBondContact O-N 3.21Å; G389-A392 VanDerWaalsContact O-N 3.16Å; G389-I393 PolarHBondContact O-N 3.23Å |
| 390 | L | 95.5 | Very high | 94.9 | Very high | 3 Ų | 3 | 9 Ų | 9 | 2% | 0.016 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -68.3 | -36.4 | 178.3 | -69 | 170.2 | 0 | 0 | 0 | 112.6 | V213 I217 T386 A392 I393 F394 F416 M417 M420 | V213-L390 HydrophobicContact CG1-CD1 3.3Å; I217-L390 HydrophobicContact CD1-CB 3.72Å; I217-L390 HydrophobicContact CD1-CD1 3.86Å; I217-L390 HydrophobicContact CD1-CG 4.48Å; T386-L390 HydrophobicContact CG2-CD1 3.61Å; T386-L390 HydrophobicContact CG2-CG 4.32Å; T386-L390 WeakPolarHBondContact O-CB 3.49Å; T386-L390 VanDerWaalsContact O-CG 3.29Å; T386-L390 WeakPolarHBondContact O-CG 3.22Å; T386-L390 PolarHBondContact O-N 3.37Å; L390-A392 PolarHBondContact O-N 2.88Å; L390-I393 HydrophobicContact CD2-CD1 4.12Å; L390-I393 PolarHBondContact O-N 3.45Å; L390-F394 HydrophobicContact CB-CE2 4.15Å; L390-F394 WeakPolarHBondContact O-CD2 3.41Å; L390-F394 VanDerWaalsContact O-CG 3.25Å; L390-F394 WeakPolarHBondContact O-CG 3.31Å; L390-F394 PolarHBondContact O-N 3.47Å; L390-F416 HydrophobicContact CD2-CE1 4.02Å; L390-M417 HydrophobicContact CB-CE 4.4Å; L390-M417 HydrophobicContact CD1-CE 3.39Å; L390-M417 HydrophobicContact CD1-SD 3.83Å; L390-M417 HydrophobicContact CD2-CE 3.58Å; L390-M417 HydrophobicContact CG-CE 3.98Å; L390-M420 HydrophobicContact CD2-CE 4.28Å |
| 391 | E | 94.6 | Very high | 94.6 | Very high | 2 Ų | 2 | 13.8 Ų | 13.8 | 1% | 0.009 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -61.6 | -33.8 | 173 | -175.4 | 60.3 | -149.9 | 0 | 0 | 111.3 | L294 Y297 F387 A388 G389 F394 T395 R409 | L294-E391 HydrophobicContact CD2-CG 4.47Å; Y297-E391 HydrophobicContact CE2-CG 4.21Å; Y297-E391 WeakPolarHBondContact CE2-OE1 3.28Å; Y297-E391 VanDerWaalsContact CZ-OE1 3.26Å; Y297-E391 PolarHBondContact OH-OE1 2.9Å; F387-E391 VanDerWaalsContact O-CB 3.25Å; F387-E391 WeakPolarHBondContact O-CB 3.27Å; F387-E391 PolarHBondContact O-N 3.36Å; A388-E391 PolarHBondContact O-N 3.34Å; G389-E391 PolarHBondContact O-N 2.91Å; E391-F394 PolarHBondContact O-N 2.93Å; E391-T395 WeakPolarHBondContact O-CB 3.45Å; E391-T395 PolarHBondContact O-N 2.78Å; E391-T395 PolarHBondContact O-OG1 3.43Å; E391-T395 PolarHBondContact OE1-OG1 3.23Å; E391-R409 IonicContact OE1-CZ 2.73Å; E391-R409 IonicContact OE1-NH1 2.68Å; E391-R409 IonicContact OE1-NH2 2.66Å; E391-R409 PolarHBondContact OE1-NH2 3.24Å; E391-R409 IonicContact OE2-NH2 2.75Å; E391-R409 PolarHBondContact OE2-NH2 3.07Å |
| 392 | A | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.3 | -48.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V290 A293 A388 G389 L390 F394 T395 A396 | V290-A392 HydrophobicContact CB-CB 4.45Å; V290-A392 HydrophobicContact CG2-CB 3.87Å; A293-A392 HydrophobicContact CB-CB 4.04Å; A388-A392 PolarHBondContact O-N 3.22Å; G389-A392 VanDerWaalsContact O-CB 3.29Å; G389-A392 WeakPolarHBondContact O-CB 3.25Å; G389-A392 PolarHBondContact O-N 3.21Å; G389-A392 VanDerWaalsContact O-N 3.16Å; L390-A392 PolarHBondContact O-N 2.88Å; A392-F394 PolarHBondContact O-N 3.05Å; A392-T395 PolarHBondContact O-N 3.31Å; A392-A396 VanDerWaalsContact O-CB 3.31Å; A392-A396 WeakPolarHBondContact O-CB 3.39Å; A392-A396 PolarHBondContact O-N 2.97Å |
| 393 | I | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57.7 | -50.9 | 174.8 | -62.5 | 167.7 | 0 | 0 | 0 | 110.3 | C106 D109 V110 G389 L390 T395 A396 F397 F416 | C106-I393 HydrophobicContact CB-CG1 4.46Å; D109-I393 HydrophobicContact CB-CD1 3.53Å; D109-I393 HydrophobicContact CB-CG1 3.62Å; V110-I393 HydrophobicContact CG2-CD1 3.91Å; G389-I393 PolarHBondContact O-N 3.23Å; L390-I393 HydrophobicContact CD2-CD1 4.12Å; L390-I393 PolarHBondContact O-N 3.45Å; I393-T395 VanDerWaalsContact C-N 3.35Å; I393-T395 PolarHBondContact O-N 2.87Å; I393-A396 WeakPolarHBondContact O-CB 3.33Å; I393-A396 PolarHBondContact O-N 3.02Å; I393-F397 HydrophobicContact CG2-CD2 3.64Å; I393-F397 HydrophobicContact CG2-CE2 3.78Å; I393-F397 WeakPolarHBondContact O-CD2 3.3Å; I393-F397 PolarHBondContact O-N 3.19Å; I393-F416 HydrophobicContact CD1-CE1 4.16Å; I393-F416 HydrophobicContact CD1-CZ 4.08Å; I393-F416 HydrophobicContact CG2-CE1 4.2Å; I393-F416 HydrophobicContact CG2-CE2 4.14Å; I393-F416 HydrophobicContact CG2-CZ 3.7Å |
| 394 | F | 93.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.3 | -41.1 | -176.7 | -64.9 | -34.4 | 0 | 0 | 0 | 112.7 | I217 L390 E391 A392 A396 C398 F412 T413 F416 M417 | I217-F394 HydrophobicContact CD1-CD2 4.23Å; I217-F394 HydrophobicContact CD1-CE2 3.54Å; I217-F394 HydrophobicContact CG1-CD2 4.5Å; I217-F394 HydrophobicContact CG1-CE2 3.99Å; L390-F394 HydrophobicContact CB-CE2 4.15Å; L390-F394 WeakPolarHBondContact O-CD2 3.41Å; L390-F394 VanDerWaalsContact O-CG 3.25Å; L390-F394 WeakPolarHBondContact O-CG 3.31Å; L390-F394 PolarHBondContact O-N 3.47Å; E391-F394 PolarHBondContact O-N 2.93Å; A392-F394 PolarHBondContact O-N 3.05Å; F394-A396 VanDerWaalsContact C-N 3.33Å; F394-C398 WeakPolarHBondContact O-CB 3.32Å; F394-C398 PolarHBondContact O-N 3.44Å; F394-C398 PolarHBondContact O-SG 3.32Å; F394-F412 HydrophobicContact CD1-CD1 4.08Å; F394-F412 AromaticContact CD1-CE1 3.48Å; F394-F412 HydrophobicContact CD1-CE1 3.48Å; F394-F412 VanDerWaalsContact CD1-CE1 3.48Å; F394-F412 HydrophobicContact CD1-CZ 4.01Å; F394-F412 HydrophobicContact CE1-CE1 4.1Å; F394-F412 HydrophobicContact CE1-CZ 4.37Å; F394-F412 HydrophobicContact CG-CE1 4.37Å; F394-T413 HydrophobicContact CD2-CG2 4.45Å; F394-T413 HydrophobicContact CE2-CG2 3.6Å; F394-T413 HydrophobicContact CZ-CG2 3.76Å; F394-F416 HydrophobicContact CE1-CB 3.69Å; F394-F416 AromaticContact CE1-CD1 3.41Å; F394-F416 HydrophobicContact CE1-CD1 3.41Å; F394-F416 VanDerWaalsContact CE1-CD1 3.41Å; F394-F416 HydrophobicContact CE1-CD2 4.41Å; F394-F416 HydrophobicContact CE1-CE1 4.13Å; F394-F416 AromaticContact CE1-CG 3.58Å; F394-F416 HydrophobicContact CE1-CG 3.58Å; F394-F416 HydrophobicContact CZ-CB 4.15Å; F394-F416 AromaticContact CZ-CD1 3.7Å; F394-F416 HydrophobicContact CZ-CD1 3.7Å; F394-F416 HydrophobicContact CZ-CE1 4.49Å; F394-F416 HydrophobicContact CZ-CG 4.19Å; F394-M417 HydrophobicContact CE2-CE 4.06Å; F394-M417 HydrophobicContact CZ-CE 3.54Å |
| 395 | T | 94 | Very high | 92.2 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.5 | -45.1 | 175.1 | -57.4 | 0 | 0 | 0 | 0 | 110.3 | A293 Y297 E391 A392 I393 D399 | A293-T395 HydrophobicContact CB-CG2 4.18Å; Y297-T395 HydrophobicContact CE2-CG2 4.4Å; Y297-T395 PolarHBondContact OH-OG1 3.4Å; E391-T395 WeakPolarHBondContact O-CB 3.45Å; E391-T395 PolarHBondContact O-N 2.78Å; E391-T395 PolarHBondContact O-OG1 3.43Å; E391-T395 PolarHBondContact OE1-OG1 3.23Å; A392-T395 PolarHBondContact O-N 3.31Å; I393-T395 VanDerWaalsContact C-N 3.35Å; I393-T395 PolarHBondContact O-N 2.87Å; T395-D399 WeakPolarHBondContact CG2-OD2 3.48Å; T395-D399 VanDerWaalsContact O-CB 3.29Å; T395-D399 WeakPolarHBondContact O-CB 3.41Å; T395-D399 PolarHBondContact O-N 2.93Å |
| 396 | A | 95.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.2 | -47.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L88 A392 I393 F394 E400 | L88-A396 HydrophobicContact CB-CB 3.78Å; A392-A396 VanDerWaalsContact O-CB 3.31Å; A392-A396 WeakPolarHBondContact O-CB 3.39Å; A392-A396 PolarHBondContact O-N 2.97Å; I393-A396 WeakPolarHBondContact O-CB 3.33Å; I393-A396 PolarHBondContact O-N 3.02Å; F394-A396 VanDerWaalsContact C-N 3.33Å; A396-E400 WeakPolarHBondContact O-CB 3.27Å; A396-E400 PolarHBondContact O-N 3.42Å |
| 397 | F | 94.7 | Very high | 90.5 | Very high | 52 Ų | 52 | 45.4 Ų | 45.4 | 23% | 0.228 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -75.1 | -38.4 | 180 | -79.3 | -75.1 | 0 | 0 | 0 | 113.2 | Y103 C106 I393 D399 E400 Y401 L405 F412 | Y103-F397 HydrophobicContact CE1-CE1 4.33Å; C106-F397 HydrophobicContact CB-CE2 4.16Å; I393-F397 HydrophobicContact CG2-CD2 3.64Å; I393-F397 HydrophobicContact CG2-CE2 3.78Å; I393-F397 WeakPolarHBondContact O-CD2 3.3Å; I393-F397 PolarHBondContact O-N 3.19Å; F397-D399 VanDerWaalsContact C-N 3.35Å; F397-E400 PolarHBondContact O-N 2.83Å; F397-Y401 HydrophobicContact CD1-CD2 4.29Å; F397-Y401 HydrophobicContact CD1-CE2 4.15Å; F397-Y401 PolarHBondContact O-N 3.31Å; F397-L405 HydrophobicContact CB-CD1 3.83Å; F397-F412 HydrophobicContact CB-CE1 4.15Å; F397-F412 HydrophobicContact CB-CZ 3.89Å; F397-F412 HydrophobicContact CG-CZ 4.35Å |
| 398 | C | 92.3 | Very high | 90.1 | Very high | 5 Ų | 5 | 49.7 Ų | 49.7 | 3% | 0.034 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.4 | -40.1 | 176.8 | -69.4 | 0 | 0 | 0 | 0 | 111.6 | F394 E400 Y401 P402 E406 | F394-C398 WeakPolarHBondContact O-CB 3.32Å; F394-C398 PolarHBondContact O-N 3.44Å; F394-C398 PolarHBondContact O-SG 3.32Å; C398-E400 VanDerWaalsContact C-N 3.34Å; C398-Y401 CarbonylContact O-C 3.14Å; C398-P402 WeakPolarHBondContact O-CA 3.37Å; C398-P402 VanDerWaalsContact O-N 3.16Å; C398-E406 HydrophobicContact CB-CB 4.49Å |
| 399 | D | 91.5 | Very high | 89.7 | Confident | 39 Ų | 39 | 50.6 Ų | 50.6 | 21% | 0.209 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -71.8 | -28.7 | 178.1 | -68.7 | -22.2 | 0 | 0 | 0 | 112.1 | R19 C85 G86 T395 F397 | R19-D399 IonicContact CZ-OD2 2.72Å; R19-D399 IonicContact NE-OD1 3.66Å; R19-D399 IonicContact NE-OD2 2.67Å; R19-D399 IonicContact NH2-OD1 3.79Å; R19-D399 IonicContact NH2-OD2 2.91Å; R19-D399 PolarHBondContact NH2-OD2 3.41Å; C85-D399 WeakPolarHBondContact CA-OD2 3.44Å; G86-D399 PolarHBondContact N-OD2 2.85Å; T395-D399 WeakPolarHBondContact CG2-OD2 3.48Å; T395-D399 VanDerWaalsContact O-CB 3.29Å; T395-D399 WeakPolarHBondContact O-CB 3.41Å; T395-D399 PolarHBondContact O-N 2.93Å; F397-D399 VanDerWaalsContact C-N 3.35Å |
| 400 | E | 91.6 | Very high | 89.3 | Confident | 24 Ų | 24 | 55 Ų | 55 | 11% | 0.112 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -77.9 | -37.7 | 176.9 | -169.5 | 62.5 | -157.6 | 0 | 0 | 112.9 | L88 T89 K92 K99 A396 F397 C398 P402 | L88-E400 HydrophobicContact CD2-CB 3.83Å; L88-E400 HydrophobicContact CD2-CG 3.81Å; L88-E400 HydrophobicContact CG-CB 4.45Å; L88-E400 HydrophobicContact CG-CG 4.38Å; T89-E400 PolarHBondContact OG1-N 3.03Å; T89-E400 PolarHBondContact OG1-OE2 3.15Å; T89-E400 VanDerWaalsContact OG1-OE2 3.14Å; K92-E400 VanDerWaalsContact CE-OE1 3.24Å; K92-E400 WeakPolarHBondContact CE-OE1 3.3Å; K92-E400 VanDerWaalsContact CE-OE2 3.28Å; K92-E400 WeakPolarHBondContact CE-OE2 3.39Å; K92-E400 IonicContact NZ-OE1 3.64Å; K92-E400 PolarHBondContact NZ-OE1 2.9Å; K92-E400 IonicContact NZ-OE2 3.85Å; K92-E400 PolarHBondContact NZ-OE2 3.44Å; K99-E400 WeakPolarHBondContact CE-OE1 3.5Å; K99-E400 IonicContact NZ-OE1 2.82Å; K99-E400 PolarHBondContact NZ-OE1 3.28Å; A396-E400 WeakPolarHBondContact O-CB 3.27Å; A396-E400 PolarHBondContact O-N 3.42Å; F397-E400 PolarHBondContact O-N 2.83Å; C398-E400 VanDerWaalsContact C-N 3.34Å; E400-P402 WeakPolarHBondContact O-CD 3.19Å |
| 401 | Y | 90.4 | Very high | 89 | Confident | 103 Ų | 103 | 57.5 Ų | 57.5 | 40% | 0.404 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -125.5 | 58.3 | -176.8 | -53.3 | -74 | 0 | 0 | 0 | 112.7 | Y103 F397 C398 K403 L404 L405 | Y103-Y401 PolarHBondContact OH-OH 3.47Å; F397-Y401 HydrophobicContact CD1-CD2 4.29Å; F397-Y401 HydrophobicContact CD1-CE2 4.15Å; F397-Y401 PolarHBondContact O-N 3.31Å; C398-Y401 CarbonylContact O-C 3.14Å; Y401-K403 PolarHBondContact O-N 2.89Å; Y401-L404 PolarHBondContact O-N 3.07Å; Y401-L404 VanDerWaalsContact O-N 3.16Å; Y401-L405 HydrophobicContact CD2-CD1 4.21Å; Y401-L405 PolarHBondContact O-N 3.13Å |
| 402 | P | 84.7 | Confident | 88.9 | Confident | 57 Ų | 57 | 59 Ų | 59 | 37% | 0.37 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -38.4 | -168 | 22.9 | -34.2 | 0 | 0 | 0 | 113.4 | C398 E400 L404 E406 | C398-P402 WeakPolarHBondContact O-CA 3.37Å; C398-P402 VanDerWaalsContact O-N 3.16Å; E400-P402 WeakPolarHBondContact O-CD 3.19Å; P402-L404 PolarHBondContact O-N 2.94Å; P402-E406 HydrophobicContact CB-CB 4.45Å; P402-E406 VanDerWaalsContact O-CB 3.24Å; P402-E406 WeakPolarHBondContact O-CB 3.45Å; P402-E406 PolarHBondContact O-N 3.12Å |
| 403 | K | 83.3 | Confident | 88.7 | Confident | 201 Ų | 201 | 59 Ų | 59 | 87% | 0.874 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -31 | -179.1 | -65.8 | -177.2 | -178.3 | 176.1 | 0 | 113.4 | Y401 | Y401-K403 PolarHBondContact O-N 2.89Š|
| 404 | L | 82.5 | Confident | 88.5 | Confident | 120 Ų | 120 | 59.7 Ų | 59.7 | 63% | 0.628 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | -52 | -175.2 | -177.2 | 63.6 | 0 | 0 | 0 | 111.3 | Y401 P402 H408 | Y401-L404 PolarHBondContact O-N 3.07Å; Y401-L404 VanDerWaalsContact O-N 3.16Å; P402-L404 PolarHBondContact O-N 2.94Å; L404-H408 PolarHBondContact O-ND1 3.13Å |
| 405 | L | 84.1 | Confident | 88.6 | Confident | 27 Ų | 27 | 65.7 Ų | 65.7 | 14% | 0.141 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -42.6 | -167.4 | -62.2 | -178.2 | 0 | 0 | 0 | 113.3 | F397 Y401 R407 H408 R409 F412 | F397-L405 HydrophobicContact CB-CD1 3.83Å; Y401-L405 HydrophobicContact CD2-CD1 4.21Å; Y401-L405 PolarHBondContact O-N 3.13Å; L405-R407 VanDerWaalsContact C-N 3.32Å; L405-R407 PolarHBondContact O-N 3.03Å; L405-H408 CarbonylContact O-C 3.54Å; L405-H408 VanDerWaalsContact O-C 3.24Å; L405-H408 PolarHBondContact O-N 3.21Å; L405-H408 VanDerWaalsContact O-N 3.08Å; L405-R409 WeakPolarHBondContact O-CA 3.34Å; L405-R409 PolarHBondContact O-N 3.11Å; L405-F412 HydrophobicContact CB-CD1 4.46Å; L405-F412 HydrophobicContact CD1-CE1 4.33Å; L405-F412 HydrophobicContact CD1-CE2 4.26Å; L405-F412 HydrophobicContact CD1-CZ 4.15Å; L405-F412 HydrophobicContact CD2-CB 4.29Å; L405-F412 HydrophobicContact CD2-CD2 3.75Å; L405-F412 HydrophobicContact CD2-CE2 4.2Å; L405-F412 HydrophobicContact CD2-CG 3.93Å |
| 406 | E | 77.4 | Confident | 88.6 | Confident | 86 Ų | 86 | 67.8 Ų | 67.8 | 40% | 0.402 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -61.6 | -42.2 | -177.5 | -168.7 | -171.8 | 177.1 | 0 | 0 | 111.3 | C398 P402 H408 R409 | C398-E406 HydrophobicContact CB-CB 4.49Å; P402-E406 HydrophobicContact CB-CB 4.45Å; P402-E406 VanDerWaalsContact O-CB 3.24Å; P402-E406 WeakPolarHBondContact O-CB 3.45Å; P402-E406 PolarHBondContact O-N 3.12Å; E406-H408 PolarHBondContact O-N 3.29Å; E406-R409 PolarHBondContact O-N 2.88Å |
| 407 | R | 78.3 | Confident | 88.6 | Confident | 208 Ų | 208 | 68.2 Ų | 68.2 | 79% | 0.785 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -61.6 | -31.9 | 176.8 | -175.5 | 175.6 | 178.6 | -178.5 | -0.4 | 113 | L405 | L405-R407 VanDerWaalsContact C-N 3.32Å; L405-R407 PolarHBondContact O-N 3.03Å |
| 408 | H | 83.9 | Confident | 88.6 | Confident | 98 Ų | 98 | 70.7 Ų | 70.7 | 45% | 0.454 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -114.2 | 29.2 | -177 | -55.7 | 101.4 | 0 | 0 | 0 | 112 | L404 L405 E406 Q410 A411 F412 | L404-H408 PolarHBondContact O-ND1 3.13Å; L405-H408 CarbonylContact O-C 3.54Å; L405-H408 VanDerWaalsContact O-C 3.24Å; L405-H408 PolarHBondContact O-N 3.21Å; L405-H408 VanDerWaalsContact O-N 3.08Å; E406-H408 PolarHBondContact O-N 3.29Å; H408-Q410 VanDerWaalsContact C-N 3.25Å; H408-Q410 PolarHBondContact O-N 3.31Å; H408-Q410 VanDerWaalsContact O-N 3.09Å; H408-A411 HydrophobicContact CB-CB 4.43Å; H408-A411 PolarHBondContact O-N 3.39Å; H408-F412 PolarHBondContact O-N 2.91Å |
| 409 | R | 86.7 | Confident | 88.8 | Confident | 27 Ų | 27 | 71.9 Ų | 71.9 | 10% | 0.102 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -48.7 | -44.9 | -171.4 | -179.7 | 177.4 | 176.4 | 140.8 | 8.5 | 113.2 | G220 Y297 E391 L405 E406 A411 F412 T413 | G220-R409 VanDerWaalsContact CA-CZ 3.44Å; Y297-R409 PolarHBondContact OH-NH1 2.87Å; Y297-R409 VanDerWaalsContact OH-NH1 3.09Å; E391-R409 IonicContact OE1-CZ 2.73Å; E391-R409 IonicContact OE1-NH1 2.68Å; E391-R409 IonicContact OE1-NH2 2.66Å; E391-R409 PolarHBondContact OE1-NH2 3.24Å; E391-R409 IonicContact OE2-NH2 2.75Å; E391-R409 PolarHBondContact OE2-NH2 3.07Å; L405-R409 WeakPolarHBondContact O-CA 3.34Å; L405-R409 PolarHBondContact O-N 3.11Å; E406-R409 PolarHBondContact O-N 2.88Å; R409-A411 PolarHBondContact O-N 3.1Å; R409-F412 PolarHBondContact O-N 3.17Å; R409-T413 WeakPolarHBondContact O-CB 3.42Å; R409-T413 PolarHBondContact O-N 2.99Å; R409-T413 PolarHBondContact O-OG1 3.49Å; R409-T413 VanDerWaalsContact O-OG1 3.04Å |
| 410 | Q | 88.2 | Confident | 89 | Confident | 104 Ų | 104 | 70.1 Ų | 70.1 | 49% | 0.486 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 179.9 | -71 | 174.7 | -0.6 | 0 | 0 | 113.1 | W218 H408 G414 | W218-Q410 WeakPolarHBondContact O-CG 3.49Å; H408-Q410 VanDerWaalsContact C-N 3.25Å; H408-Q410 PolarHBondContact O-N 3.31Å; H408-Q410 VanDerWaalsContact O-N 3.09Å; Q410-G414 PolarHBondContact O-N 3.43Å |
| 411 | A | 89.2 | Confident | 89.3 | Confident | 54 Ų | 54 | 70.9 Ų | 70.9 | 45% | 0.446 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -70.1 | -41.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | H408 R409 G414 I415 | H408-A411 HydrophobicContact CB-CB 4.43Å; H408-A411 PolarHBondContact O-N 3.39Å; R409-A411 PolarHBondContact O-N 3.1Å; A411-G414 PolarHBondContact O-N 3.03Å; A411-I415 VanDerWaalsContact O-CG1 3.32Å; A411-I415 WeakPolarHBondContact O-CG1 3.29Å; A411-I415 PolarHBondContact O-N 3.16Å |
| 412 | F | 91.6 | Very high | 89.6 | Confident | 33 Ų | 33 | 70.7 Ų | 70.7 | 15% | 0.145 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.1 | -50 | 174.1 | 171.1 | -124.7 | 0 | 0 | 0 | 111.6 | F394 F397 L405 H408 R409 G414 I415 F416 | F394-F412 HydrophobicContact CD1-CD1 4.08Å; F394-F412 AromaticContact CD1-CE1 3.48Å; F394-F412 HydrophobicContact CD1-CE1 3.48Å; F394-F412 VanDerWaalsContact CD1-CE1 3.48Å; F394-F412 HydrophobicContact CD1-CZ 4.01Å; F394-F412 HydrophobicContact CE1-CE1 4.1Å; F394-F412 HydrophobicContact CE1-CZ 4.37Å; F394-F412 HydrophobicContact CG-CE1 4.37Å; F397-F412 HydrophobicContact CB-CE1 4.15Å; F397-F412 HydrophobicContact CB-CZ 3.89Å; F397-F412 HydrophobicContact CG-CZ 4.35Å; L405-F412 HydrophobicContact CB-CD1 4.46Å; L405-F412 HydrophobicContact CD1-CE1 4.33Å; L405-F412 HydrophobicContact CD1-CE2 4.26Å; L405-F412 HydrophobicContact CD1-CZ 4.15Å; L405-F412 HydrophobicContact CD2-CB 4.29Å; L405-F412 HydrophobicContact CD2-CD2 3.75Å; L405-F412 HydrophobicContact CD2-CE2 4.2Å; L405-F412 HydrophobicContact CD2-CG 3.93Å; H408-F412 PolarHBondContact O-N 2.91Å; R409-F412 PolarHBondContact O-N 3.17Å; F412-G414 VanDerWaalsContact C-N 3.32Å; F412-G414 PolarHBondContact O-N 3.41Å; F412-I415 PolarHBondContact O-N 2.92Å; F412-F416 HydrophobicContact CE2-CB 4.5Å; F412-F416 HydrophobicContact CE2-CD2 4.34Å; F412-F416 HydrophobicContact CZ-CD2 4.49Å; F412-F416 VanDerWaalsContact O-CB 3.23Å; F412-F416 WeakPolarHBondContact O-CB 3.31Å; F412-F416 PolarHBondContact O-N 3.27Å |
| 413 | T | 92.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -57.6 | -44.3 | 175.1 | -64 | 0 | 0 | 0 | 0 | 111.2 | Y214 I217 F394 R409 F416 M417 | Y214-T413 HydrophobicContact CD2-CG2 3.92Å; Y214-T413 HydrophobicContact CE2-CG2 4.14Å; I217-T413 HydrophobicContact CG1-CG2 4.02Å; F394-T413 HydrophobicContact CD2-CG2 4.45Å; F394-T413 HydrophobicContact CE2-CG2 3.6Å; F394-T413 HydrophobicContact CZ-CG2 3.76Å; R409-T413 WeakPolarHBondContact O-CB 3.42Å; R409-T413 PolarHBondContact O-N 2.99Å; R409-T413 PolarHBondContact O-OG1 3.49Å; R409-T413 VanDerWaalsContact O-OG1 3.04Å; T413-F416 PolarHBondContact O-N 3.26Å; T413-M417 HydrophobicContact CG2-CG 4.32Å; T413-M417 WeakPolarHBondContact O-CB 3.44Å; T413-M417 WeakPolarHBondContact O-CG 3.34Å; T413-M417 PolarHBondContact O-N 3.34Å |
| 414 | G | 93.4 | Very high | 90.8 | Very high | 16 Ų | 16 | 63.1 Ų | 63.1 | 17% | 0.165 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.1 | -49.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q410 A411 F412 F416 M417 I418 | Q410-G414 PolarHBondContact O-N 3.43Å; A411-G414 PolarHBondContact O-N 3.03Å; F412-G414 VanDerWaalsContact C-N 3.32Å; F412-G414 PolarHBondContact O-N 3.41Å; G414-F416 VanDerWaalsContact C-N 3.33Å; G414-F416 PolarHBondContact O-N 3.04Å; G414-M417 PolarHBondContact O-N 3.49Å; G414-I418 WeakPolarHBondContact O-CG1 3.19Å; G414-I418 PolarHBondContact O-N 3.25Å |
| 415 | I | 94 | Very high | 91.5 | Very high | 126 Ų | 126 | 59.1 Ų | 59.1 | 65% | 0.646 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -62.1 | -43.2 | 178 | -67 | 166.5 | 0 | 0 | 0 | 110.6 | A411 F412 I418 G419 | A411-I415 VanDerWaalsContact O-CG1 3.32Å; A411-I415 WeakPolarHBondContact O-CG1 3.29Å; A411-I415 PolarHBondContact O-N 3.16Å; F412-I415 PolarHBondContact O-N 2.92Å; I415-I418 PolarHBondContact O-N 3.49Å; I415-G419 PolarHBondContact O-N 3.1Å |
| 416 | F | 94.7 | Very high | 92.1 | Very high | 43 Ų | 43 | 60.3 Ų | 60.3 | 19% | 0.189 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.4 | -40.4 | 178.8 | -168.5 | -90.4 | 0 | 0 | 0 | 112 | V110 L390 I393 F394 F412 T413 G414 I418 G419 M420 | V110-F416 HydrophobicContact CG2-CZ 3.85Å; L390-F416 HydrophobicContact CD2-CE1 4.02Å; I393-F416 HydrophobicContact CD1-CE1 4.16Å; I393-F416 HydrophobicContact CD1-CZ 4.08Å; I393-F416 HydrophobicContact CG2-CE1 4.2Å; I393-F416 HydrophobicContact CG2-CE2 4.14Å; I393-F416 HydrophobicContact CG2-CZ 3.7Å; F394-F416 HydrophobicContact CE1-CB 3.69Å; F394-F416 AromaticContact CE1-CD1 3.41Å; F394-F416 HydrophobicContact CE1-CD1 3.41Å; F394-F416 VanDerWaalsContact CE1-CD1 3.41Å; F394-F416 HydrophobicContact CE1-CD2 4.41Å; F394-F416 HydrophobicContact CE1-CE1 4.13Å; F394-F416 AromaticContact CE1-CG 3.58Å; F394-F416 HydrophobicContact CE1-CG 3.58Å; F394-F416 HydrophobicContact CZ-CB 4.15Å; F394-F416 AromaticContact CZ-CD1 3.7Å; F394-F416 HydrophobicContact CZ-CD1 3.7Å; F394-F416 HydrophobicContact CZ-CE1 4.49Å; F394-F416 HydrophobicContact CZ-CG 4.19Å; F412-F416 HydrophobicContact CE2-CB 4.5Å; F412-F416 HydrophobicContact CE2-CD2 4.34Å; F412-F416 HydrophobicContact CZ-CD2 4.49Å; F412-F416 VanDerWaalsContact O-CB 3.23Å; F412-F416 WeakPolarHBondContact O-CB 3.31Å; F412-F416 PolarHBondContact O-N 3.27Å; T413-F416 PolarHBondContact O-N 3.26Å; G414-F416 VanDerWaalsContact C-N 3.33Å; G414-F416 PolarHBondContact O-N 3.04Å; F416-I418 PolarHBondContact O-N 3.2Å; F416-G419 PolarHBondContact O-N 3.07Å; F416-M420 HydrophobicContact CD1-CG 3.71Å; F416-M420 HydrophobicContact CE1-CG 3.43Å; F416-M420 VanDerWaalsContact CE1-CG 3.43Å; F416-M420 HydrophobicContact CE1-SD 3.85Å; F416-M420 HydrophobicContact CZ-CG 4.15Å; F416-M420 HydrophobicContact CZ-SD 4.12Å; F416-M420 WeakPolarHBondContact O-CB 3.46Å; F416-M420 WeakPolarHBondContact O-CG 3.42Å; F416-M420 PolarHBondContact O-N 2.87Å |
| 417 | M | 94.8 | Very high | 93 | Very high | 9 Ų | 9 | 56.4 Ų | 56.4 | 4% | 0.044 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 174.5 | -74.3 | -60.2 | 100.5 | 0 | 0 | 112 | Y210 V213 Y214 I217 L390 F394 T413 G414 M420 F421 | Y210-M417 HydrophobicContact CD1-SD 3.86Å; Y210-M417 HydrophobicContact CE1-SD 4.35Å; V213-M417 HydrophobicContact CG1-SD 3.94Å; Y214-M417 HydrophobicContact CD2-CG 4.15Å; I217-M417 HydrophobicContact CD1-CE 4.41Å; L390-M417 HydrophobicContact CB-CE 4.4Å; L390-M417 HydrophobicContact CD1-CE 3.39Å; L390-M417 HydrophobicContact CD1-SD 3.83Å; L390-M417 HydrophobicContact CD2-CE 3.58Å; L390-M417 HydrophobicContact CG-CE 3.98Å; F394-M417 HydrophobicContact CE2-CE 4.06Å; F394-M417 HydrophobicContact CZ-CE 3.54Å; T413-M417 HydrophobicContact CG2-CG 4.32Å; T413-M417 WeakPolarHBondContact O-CB 3.44Å; T413-M417 WeakPolarHBondContact O-CG 3.34Å; T413-M417 PolarHBondContact O-N 3.34Å; G414-M417 PolarHBondContact O-N 3.49Å; M417-M420 PolarHBondContact O-N 3.48Å; M417-F421 WeakPolarHBondContact O-CB 3.39Å; M417-F421 PolarHBondContact O-N 2.76Å |
| 418 | I | 96 | Very high | 93.8 | Very high | 105 Ų | 105 | 46.6 Ų | 46.6 | 54% | 0.538 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 175 | -66.3 | 165.1 | 0 | 0 | 0 | 110.5 | G414 I415 F416 F421 I422 | G414-I418 WeakPolarHBondContact O-CG1 3.19Å; G414-I418 PolarHBondContact O-N 3.25Å; I415-I418 PolarHBondContact O-N 3.49Å; F416-I418 PolarHBondContact O-N 3.2Å; I418-F421 PolarHBondContact O-N 3.4Å; I418-I422 HydrophobicContact CG2-CD1 4.09Å; I418-I422 WeakPolarHBondContact O-CG1 3.2Å; I418-I422 PolarHBondContact O-N 2.87Å; I418-I422 VanDerWaalsContact O-N 3.08Å |
| 419 | G | 96.4 | Very high | 94.5 | Very high | 29 Ų | 29 | 42.7 Ų | 42.7 | 30% | 0.299 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.5 | -47.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I415 F416 F421 I422 I423 | I415-G419 PolarHBondContact O-N 3.1Å; F416-G419 PolarHBondContact O-N 3.07Å; G419-F421 VanDerWaalsContact C-N 3.34Å; G419-F421 PolarHBondContact O-N 3.25Å; G419-I422 PolarHBondContact O-N 3.42Å; G419-I423 VanDerWaalsContact O-CG1 3.3Å; G419-I423 WeakPolarHBondContact O-CG1 3.28Å; G419-I423 PolarHBondContact O-N 3.47Å |
| 420 | M | 96.2 | Very high | 94.9 | Very high | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.015 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.1 | -44.1 | 175.9 | -74 | -69.7 | -65.2 | 0 | 0 | 111.6 | V110 Y210 L390 F416 M417 I422 I423 S424 | V110-M420 HydrophobicContact CB-SD 4.21Å; V110-M420 HydrophobicContact CG1-SD 3.83Å; V110-M420 HydrophobicContact CG2-SD 4.02Å; V110-M420 WeakPolarHBondContact O-CE 3.27Å; Y210-M420 HydrophobicContact CE1-CB 3.61Å; Y210-M420 PolarHBondContact OH-O 2.72Å; L390-M420 HydrophobicContact CD2-CE 4.28Å; F416-M420 HydrophobicContact CD1-CG 3.71Å; F416-M420 HydrophobicContact CE1-CG 3.43Å; F416-M420 VanDerWaalsContact CE1-CG 3.43Å; F416-M420 HydrophobicContact CE1-SD 3.85Å; F416-M420 HydrophobicContact CZ-CG 4.15Å; F416-M420 HydrophobicContact CZ-SD 4.12Å; F416-M420 WeakPolarHBondContact O-CB 3.46Å; F416-M420 WeakPolarHBondContact O-CG 3.42Å; F416-M420 PolarHBondContact O-N 2.87Å; M417-M420 PolarHBondContact O-N 3.48Å; M420-I422 VanDerWaalsContact C-N 3.32Å; M420-I422 PolarHBondContact O-N 2.81Å; M420-I423 PolarHBondContact O-N 2.99Å; M420-S424 WeakPolarHBondContact O-CB 3.43Å; M420-S424 PolarHBondContact O-N 3.08Å; M420-S424 PolarHBondContact O-OG 3.34Å |
| 421 | F | 97 | Very high | 95.2 | Very high | 40 Ų | 40 | 38 Ų | 38 | 18% | 0.175 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.5 | -44.2 | 175.9 | 173.6 | -103.4 | 0 | 0 | 0 | 112.2 | L203 L206 F207 Y210 M417 I418 G419 S424 L425 | L203-F421 HydrophobicContact CD1-CE1 4.46Å; L203-F421 HydrophobicContact CD1-CE2 4.22Å; L203-F421 HydrophobicContact CD1-CZ 3.61Å; L203-F421 HydrophobicContact CG-CZ 4.5Å; L206-F421 HydrophobicContact CB-CE2 4.31Å; L206-F421 HydrophobicContact CD2-CD2 4.07Å; L206-F421 HydrophobicContact CD2-CE2 4.04Å; L206-F421 HydrophobicContact CG-CD2 4.07Å; L206-F421 HydrophobicContact CG-CE2 4.08Å; F207-F421 HydrophobicContact CB-CE2 3.82Å; F207-F421 HydrophobicContact CB-CZ 4.11Å; F207-F421 HydrophobicContact CD2-CE2 4.44Å; F207-F421 HydrophobicContact CD2-CZ 4.33Å; Y210-F421 HydrophobicContact CD2-CB 3.94Å; Y210-F421 AromaticContact CD2-CD2 3.65Å; Y210-F421 HydrophobicContact CD2-CD2 3.65Å; Y210-F421 HydrophobicContact CD2-CG 4.29Å; Y210-F421 HydrophobicContact CE2-CB 4.09Å; Y210-F421 HydrophobicContact CE2-CD2 4.09Å; Y210-F421 HydrophobicContact CG-CB 4.22Å; Y210-F421 HydrophobicContact CG-CD2 4.45Å; M417-F421 WeakPolarHBondContact O-CB 3.39Å; M417-F421 PolarHBondContact O-N 2.76Å; I418-F421 PolarHBondContact O-N 3.4Å; G419-F421 VanDerWaalsContact C-N 3.34Å; G419-F421 PolarHBondContact O-N 3.25Å; F421-S424 PolarHBondContact O-N 2.81Å; F421-L425 HydrophobicContact CE1-CD2 4.18Å; F421-L425 HydrophobicContact CE2-CD2 4.41Å; F421-L425 HydrophobicContact CZ-CD2 4.06Å; F421-L425 WeakPolarHBondContact O-CG 3.28Å; F421-L425 PolarHBondContact O-N 3.13Å |
| 422 | I | 97.2 | Very high | 95.4 | Very high | 99 Ų | 99 | 35.4 Ų | 35.4 | 51% | 0.508 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.3 | -44.2 | 177.9 | -66.1 | 166.8 | 0 | 0 | 0 | 111.2 | I418 G419 M420 S424 L425 | I418-I422 HydrophobicContact CG2-CD1 4.09Å; I418-I422 WeakPolarHBondContact O-CG1 3.2Å; I418-I422 PolarHBondContact O-N 2.87Å; I418-I422 VanDerWaalsContact O-N 3.08Å; G419-I422 PolarHBondContact O-N 3.42Å; M420-I422 VanDerWaalsContact C-N 3.32Å; M420-I422 PolarHBondContact O-N 2.81Å; I422-S424 PolarHBondContact O-N 3.12Å; I422-L425 WeakPolarHBondContact O-CB 3.26Å; I422-L425 WeakPolarHBondContact O-CG 3.3Å; I422-L425 PolarHBondContact O-N 3.18Å |
| 423 | I | 96 | Very high | 95.4 | Very high | 98 Ų | 98 | 35.2 Ų | 35.2 | 50% | 0.503 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -65.1 | -28.4 | 179.2 | -64 | 166.2 | 0 | 0 | 0 | 111.3 | C114 G419 M420 P426 | C114-I423 VanDerWaalsContact SG-CG2 3.51Å; G419-I423 VanDerWaalsContact O-CG1 3.3Å; G419-I423 WeakPolarHBondContact O-CG1 3.28Å; G419-I423 PolarHBondContact O-N 3.47Å; M420-I423 PolarHBondContact O-N 2.99Å; I423-P426 VanDerWaalsContact O-CD 3.22Å; I423-P426 WeakPolarHBondContact O-CD 3.36Å |
| 424 | S | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -76.1 | -18.5 | 177.4 | -61.8 | 0 | 0 | 0 | 0 | 114.5 | C114 Y210 M420 F421 I422 P426 T427 | C114-S424 WeakPolarHBondContact CA-OG 3.09Å; C114-S424 WeakPolarHBondContact CB-OG 3.2Å; C114-S424 PolarHBondContact O-OG 2.92Å; Y210-S424 PolarHBondContact OH-OG 2.88Å; M420-S424 WeakPolarHBondContact O-CB 3.43Å; M420-S424 PolarHBondContact O-N 3.08Å; M420-S424 PolarHBondContact O-OG 3.34Å; F421-S424 PolarHBondContact O-N 2.81Å; I422-S424 PolarHBondContact O-N 3.12Å; S424-P426 VanDerWaalsContact C-CD 3.41Å; S424-T427 WeakPolarHBondContact O-CB 3.46Å; S424-T427 PolarHBondContact O-N 3.22Å; S424-T427 PolarHBondContact O-OG1 3.42Å |
| 425 | L | 97.1 | Very high | 95.4 | Very high | 36 Ų | 36 | 40.5 Ų | 40.5 | 19% | 0.188 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -53.9 | -39.4 | -174.9 | -63.8 | -179.8 | 0 | 0 | 0 | 115.1 | I198 L203 F421 I422 T427 I428 | I198-L425 HydrophobicContact CD1-CB 4.05Å; I198-L425 HydrophobicContact CD1-CD1 4.41Å; L203-L425 HydrophobicContact CD1-CD2 3.37Å; F421-L425 HydrophobicContact CE1-CD2 4.18Å; F421-L425 HydrophobicContact CE2-CD2 4.41Å; F421-L425 HydrophobicContact CZ-CD2 4.06Å; F421-L425 WeakPolarHBondContact O-CG 3.28Å; F421-L425 PolarHBondContact O-N 3.13Å; I422-L425 WeakPolarHBondContact O-CB 3.26Å; I422-L425 WeakPolarHBondContact O-CG 3.3Å; I422-L425 PolarHBondContact O-N 3.18Å; L425-T427 PolarHBondContact O-N 3.27Å; L425-I428 HydrophobicContact CD2-CD1 4Å; L425-I428 WeakPolarHBondContact O-CG1 3.46Å; L425-I428 PolarHBondContact O-N 2.96Å |
| 426 | P | 96 | Very high | 95.3 | Very high | 52 Ų | 52 | 35.1 Ų | 35.1 | 34% | 0.338 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -59.5 | -28.9 | 175.8 | -25.7 | 37.4 | 0 | 0 | 0 | 113.5 | I423 S424 I428 T429 L435 | I423-P426 VanDerWaalsContact O-CD 3.22Å; I423-P426 WeakPolarHBondContact O-CD 3.36Å; S424-P426 VanDerWaalsContact C-CD 3.41Å; P426-I428 VanDerWaalsContact C-N 3.3Å; P426-I428 PolarHBondContact O-N 3.1Å; P426-T429 WeakPolarHBondContact O-CG2 3.36Å; P426-T429 PolarHBondContact O-N 3.39Å; P426-T429 PolarHBondContact O-OG1 3.49Å; P426-L435 HydrophobicContact CB-CD2 3.65Å |
| 427 | T | 96.1 | Very high | 95.1 | Very high | 5 Ų | 5 | 39.3 Ų | 39.3 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -75.8 | -15.9 | -177.7 | 68.7 | 0 | 0 | 0 | 0 | 113.7 | F115 T118 S424 L425 G432 L435 I436 L439 | F115-T427 HydrophobicContact CB-CG2 4.29Å; T118-T427 PolarHBondContact OG1-OG1 3.45Å; S424-T427 WeakPolarHBondContact O-CB 3.46Å; S424-T427 PolarHBondContact O-N 3.22Å; S424-T427 PolarHBondContact O-OG1 3.42Å; L425-T427 PolarHBondContact O-N 3.27Å; T427-G432 WeakPolarHBondContact O-CA 3.3Å; T427-L435 HydrophobicContact CG2-CD2 4.05Å; T427-L435 HydrophobicContact CG2-CG 4.43Å; T427-I436 HydrophobicContact CG2-CG1 4.32Å; T427-L439 HydrophobicContact CG2-CD1 4.35Å |
| 428 | I | 96.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -102 | 13.6 | 176.5 | 57.5 | 163.9 | 0 | 0 | 0 | 113.2 | T118 I198 K199 L202 L203 L206 L425 P426 | T118-I428 HydrophobicContact CG2-CG2 3.59Å; T118-I428 WeakPolarHBondContact OG1-CG2 3.38Å; I198-I428 HydrophobicContact CG2-CD1 3.57Å; I198-I428 HydrophobicContact CG2-CG1 3.96Å; K199-I428 PolarHBondContact N-O 2.96Å; L202-I428 HydrophobicContact CB-CB 4.12Å; L202-I428 HydrophobicContact CB-CG2 4.14Å; L203-I428 HydrophobicContact CB-CD1 3.85Å; L203-I428 HydrophobicContact CD1-CD1 3.75Å; L203-I428 HydrophobicContact CG-CD1 4.45Å; L206-I428 HydrophobicContact CD2-CD1 3.95Å; L206-I428 HydrophobicContact CD2-CG1 4.42Å; L206-I428 HydrophobicContact CD2-CG2 4.03Å; L425-I428 HydrophobicContact CD2-CD1 4Å; L425-I428 WeakPolarHBondContact O-CG1 3.46Å; L425-I428 PolarHBondContact O-N 2.96Å; P426-I428 VanDerWaalsContact C-N 3.3Å; P426-I428 PolarHBondContact O-N 3.1Å |
| 429 | T | 97.2 | Very high | 94.7 | Very high | 16 Ų | 16 | 41.4 Ų | 41.4 | 10% | 0.098 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -74.4 | 168 | 169.4 | 59.3 | 0 | 0 | 0 | 0 | 111 | M195 Q197 I198 P426 G431 G432 | M195-T429 WeakPolarHBondContact O-CB 3.35Å; Q197-T429 VanDerWaalsContact O-CA 3.23Å; Q197-T429 WeakPolarHBondContact O-CA 3.07Å; I198-T429 HydrophobicContact CG1-CG2 4Å; P426-T429 WeakPolarHBondContact O-CG2 3.36Å; P426-T429 PolarHBondContact O-N 3.39Å; P426-T429 PolarHBondContact O-OG1 3.49Å; T429-G431 VanDerWaalsContact C-N 3.26Å; T429-G431 PolarHBondContact O-N 3.35Å; T429-G432 PolarHBondContact O-N 3.27Å; T429-G432 WeakPolarHBondContact OG1-CA 3.46Å; T429-G432 PolarHBondContact OG1-N 2.91Å; T429-G432 VanDerWaalsContact OG1-N 3.16Å |
| 430 | Y | 95.7 | Very high | 94.4 | Very high | 32 Ų | 32 | 41.5 Ų | 41.5 | 13% | 0.125 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -40.7 | 177.3 | -55.6 | -35.7 | 0 | 0 | 0 | 112.6 | E185 L186 K188 M195 Q197 K199 G432 | E185-Y430 HydrophobicContact CB-CD1 3.77Å; E185-Y430 HydrophobicContact CB-CE1 4.03Å; E185-Y430 HydrophobicContact CB-CG 4.48Å; E185-Y430 HydrophobicContact CG-CE1 4.42Å; E185-Y430 WeakPolarHBondContact OE2-CE1 3.45Å; L186-Y430 VanDerWaalsContact CD1-O 3.28Å; L186-Y430 WeakPolarHBondContact CD1-O 3.32Å; K188-Y430 HydrophobicContact CB-CD2 3.58Å; K188-Y430 HydrophobicContact CB-CE2 4.04Å; K188-Y430 HydrophobicContact CB-CG 4Å; K188-Y430 HydrophobicContact CD-CD2 4.21Å; K188-Y430 HydrophobicContact CD-CE1 4.37Å; K188-Y430 HydrophobicContact CD-CE2 3.88Å; M195-Y430 PolarHBondContact O-N 3.09Å; Q197-Y430 HydrophobicContact CB-CD2 4.49Å; Q197-Y430 HydrophobicContact CB-CE2 3.78Å; Q197-Y430 HydrophobicContact CG-CE2 4.48Å; Q197-Y430 PolarHBondContact O-N 3.45Å; Q197-Y430 VanDerWaalsContact O-N 3.13Å; K199-Y430 HydrophobicContact CB-CD1 4.43Å; K199-Y430 HydrophobicContact CB-CE1 4.22Å; Y430-G432 VanDerWaalsContact C-N 3.34Å |
| 431 | G | 93.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | S189 M195 T429 N433 Y434 | S189-G431 VanDerWaalsContact OG-CA 3.29Å; S189-G431 WeakPolarHBondContact OG-CA 3.18Å; M195-G431 PolarHBondContact O-N 2.76Å; T429-G431 VanDerWaalsContact C-N 3.26Å; T429-G431 PolarHBondContact O-N 3.35Å; G431-N433 PolarHBondContact O-N 3.4Å; G431-N433 VanDerWaalsContact O-N 3.14Å; G431-Y434 WeakPolarHBondContact O-CD2 3.43Å; G431-Y434 PolarHBondContact O-N 3.07Å; G431-Y434 VanDerWaalsContact O-N 3.08Å |
| 432 | G | 94.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.2 | -28.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | T427 T429 Y430 Y434 L435 I436 | T427-G432 WeakPolarHBondContact O-CA 3.3Å; T429-G432 PolarHBondContact O-N 3.27Å; T429-G432 WeakPolarHBondContact OG1-CA 3.46Å; T429-G432 PolarHBondContact OG1-N 2.91Å; T429-G432 VanDerWaalsContact OG1-N 3.16Å; Y430-G432 VanDerWaalsContact C-N 3.34Å; G432-Y434 VanDerWaalsContact C-N 3.29Å; G432-Y434 PolarHBondContact O-N 3.39Å; G432-L435 WeakPolarHBondContact O-CB 3.34Å; G432-L435 PolarHBondContact O-N 3.18Å; G432-L435 VanDerWaalsContact O-N 3.09Å; G432-I436 VanDerWaalsContact O-CG1 3.3Å; G432-I436 WeakPolarHBondContact O-CG1 3.12Å; G432-I436 PolarHBondContact O-N 2.76Å |
| 433 | N | 91.4 | Very high | 93.2 | Very high | 30 Ų | 30 | 45.2 Ų | 45.2 | 16% | 0.16 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.3 | -39.1 | 175.4 | -174 | 72.9 | 0 | 0 | 0 | 112.8 | L184 L186 G431 L435 I436 E437 | L184-N433 HydrophobicContact CD1-CB 4.15Å; L186-N433 HydrophobicContact CD1-CB 4.47Å; G431-N433 PolarHBondContact O-N 3.4Å; G431-N433 VanDerWaalsContact O-N 3.14Å; N433-L435 VanDerWaalsContact C-N 3.34Å; N433-L435 PolarHBondContact O-N 3.41Å; N433-I436 PolarHBondContact O-N 3.46Å; N433-E437 PolarHBondContact O-N 3.23Å; N433-E437 VanDerWaalsContact O-N 3.12Å |
| 434 | Y | 92.2 | Very high | 93 | Very high | 92 Ų | 92 | 40.6 Ų | 40.6 | 36% | 0.361 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -65.2 | -39.3 | 176.4 | -60.8 | -63.7 | 0 | 0 | 0 | 111.8 | L186 G431 G432 Y438 | L186-Y434 HydrophobicContact CD1-CD2 4.25Å; L186-Y434 HydrophobicContact CD1-CE2 3.61Å; G431-Y434 WeakPolarHBondContact O-CD2 3.43Å; G431-Y434 PolarHBondContact O-N 3.07Å; G431-Y434 VanDerWaalsContact O-N 3.08Å; G432-Y434 VanDerWaalsContact C-N 3.29Å; G432-Y434 PolarHBondContact O-N 3.39Å; Y434-Y438 WeakPolarHBondContact O-CB 3.4Å; Y434-Y438 PolarHBondContact O-N 2.94Å |
| 435 | L | 93.5 | Very high | 92.5 | Very high | 34 Ų | 34 | 41.2 Ų | 41.2 | 18% | 0.178 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.7 | -39.9 | 177.1 | -179.6 | 61.6 | 0 | 0 | 0 | 111.6 | M195 P426 T427 G432 N433 Y438 L439 | M195-L435 HydrophobicContact SD-CB 4.38Å; M195-L435 HydrophobicContact SD-CD2 4.27Å; P426-L435 HydrophobicContact CB-CD2 3.65Å; T427-L435 HydrophobicContact CG2-CD2 4.05Å; T427-L435 HydrophobicContact CG2-CG 4.43Å; G432-L435 WeakPolarHBondContact O-CB 3.34Å; G432-L435 PolarHBondContact O-N 3.18Å; G432-L435 VanDerWaalsContact O-N 3.09Å; N433-L435 VanDerWaalsContact C-N 3.34Å; N433-L435 PolarHBondContact O-N 3.41Å; L435-Y438 PolarHBondContact O-N 3.04Å; L435-L439 HydrophobicContact CD1-CD1 4.12Å; L435-L439 HydrophobicContact CD1-CG 4.07Å; L435-L439 HydrophobicContact CG-CD1 3.94Å; L435-L439 HydrophobicContact CG-CG 4.32Å; L435-L439 WeakPolarHBondContact O-CB 3.44Å; L435-L439 VanDerWaalsContact O-CG 3.28Å; L435-L439 WeakPolarHBondContact O-CG 3.42Å; L435-L439 PolarHBondContact O-N 3.33Å |
| 436 | I | 93.3 | Very high | 92 | Very high | 14 Ų | 14 | 41.4 Ų | 41.4 | 7% | 0.072 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.7 | -50.1 | 176.1 | -66.5 | 170.5 | 0 | 0 | 0 | 110.2 | F115 T118 W122 T427 G432 N433 Y438 L439 D440 | F115-I436 HydrophobicContact CB-CB 4.28Å; F115-I436 HydrophobicContact CB-CG1 3.95Å; F115-I436 HydrophobicContact CB-CG2 4.07Å; F115-I436 HydrophobicContact CD2-CG2 3.97Å; F115-I436 HydrophobicContact CG-CG2 4.31Å; T118-I436 HydrophobicContact CG2-CD1 3.68Å; W122-I436 HydrophobicContact CH2-CD1 3.6Å; W122-I436 HydrophobicContact CZ2-CD1 3.45Å; W122-I436 VanDerWaalsContact CZ2-CD1 3.45Å; T427-I436 HydrophobicContact CG2-CG1 4.32Å; G432-I436 VanDerWaalsContact O-CG1 3.3Å; G432-I436 WeakPolarHBondContact O-CG1 3.12Å; G432-I436 PolarHBondContact O-N 2.76Å; N433-I436 PolarHBondContact O-N 3.46Å; I436-Y438 VanDerWaalsContact C-N 3.33Å; I436-Y438 PolarHBondContact O-N 2.99Å; I436-L439 PolarHBondContact O-N 3.12Å; I436-D440 WeakPolarHBondContact O-CB 3.32Å; I436-D440 PolarHBondContact O-N 3.49Å |
| 437 | E | 89.4 | Confident | 91.7 | Very high | 131 Ų | 131 | 40.9 Ų | 40.9 | 61% | 0.612 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -61.6 | -42.2 | 179.1 | -173.2 | 174.7 | -179.6 | 0 | 0 | 111.7 | N433 H441 | N433-E437 PolarHBondContact O-N 3.23Å; N433-E437 VanDerWaalsContact O-N 3.12Å; E437-H441 WeakPolarHBondContact O-CB 3.24Å; E437-H441 PolarHBondContact O-N 2.89Å |
| 438 | Y | 91.1 | Very high | 91.5 | Very high | 129 Ų | 129 | 40.8 Ų | 40.8 | 51% | 0.506 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.7 | -46.2 | 176.4 | -172 | -91.6 | 0 | 0 | 0 | 112.3 | Y434 L435 I436 Y442 | Y434-Y438 WeakPolarHBondContact O-CB 3.4Å; Y434-Y438 PolarHBondContact O-N 2.94Å; L435-Y438 PolarHBondContact O-N 3.04Å; I436-Y438 VanDerWaalsContact C-N 3.33Å; I436-Y438 PolarHBondContact O-N 2.99Å; Y438-Y442 HydrophobicContact CD1-CD2 4.46Å; Y438-Y442 AromaticContact CD2-CD2 3.61Å; Y438-Y442 HydrophobicContact CD2-CD2 3.61Å; Y438-Y442 AromaticContact CD2-CE2 3.83Å; Y438-Y442 HydrophobicContact CD2-CE2 3.83Å; Y438-Y442 HydrophobicContact CE1-CD2 4.45Å; Y438-Y442 AromaticContact CE2-CD2 3.6Å; Y438-Y442 HydrophobicContact CE2-CD2 3.6Å; Y438-Y442 AromaticContact CE2-CE2 3.8Å; Y438-Y442 HydrophobicContact CE2-CE2 3.8Å; Y438-Y442 HydrophobicContact CE2-CG 4.47Å; Y438-Y442 HydrophobicContact CG-CD2 4.06Å; Y438-Y442 WeakPolarHBondContact O-CB 3.5Å; Y438-Y442 WeakPolarHBondContact O-CD2 3.05Å; Y438-Y442 PolarHBondContact O-N 3.24Å |
| 439 | L | 92.5 | Very high | 91 | Very high | 28 Ų | 28 | 40.9 Ų | 40.9 | 15% | 0.147 | 19% | 0.19 | C | C | . | . | I | π-helix | trans | -67.6 | -44.5 | 179.2 | -70.8 | 173.4 | 0 | 0 | 0 | 112.2 | Y111 F115 T427 L435 I436 H441 A443 V444 | Y111-L439 HydrophobicContact CD1-CD2 4.34Å; F115-L439 HydrophobicContact CD1-CB 3.8Å; F115-L439 HydrophobicContact CD1-CD1 4.46Å; F115-L439 HydrophobicContact CE1-CB 4.2Å; T427-L439 HydrophobicContact CG2-CD1 4.35Å; L435-L439 HydrophobicContact CD1-CD1 4.12Å; L435-L439 HydrophobicContact CD1-CG 4.07Å; L435-L439 HydrophobicContact CG-CD1 3.94Å; L435-L439 HydrophobicContact CG-CG 4.32Å; L435-L439 WeakPolarHBondContact O-CB 3.44Å; L435-L439 VanDerWaalsContact O-CG 3.28Å; L435-L439 WeakPolarHBondContact O-CG 3.42Å; L435-L439 PolarHBondContact O-N 3.33Å; I436-L439 PolarHBondContact O-N 3.12Å; L439-H441 VanDerWaalsContact C-N 3.31Å; L439-H441 PolarHBondContact O-N 3.26Å; L439-A443 HydrophobicContact CD2-CB 4.09Å; L439-A443 WeakPolarHBondContact O-CA 3.48Å; L439-A443 VanDerWaalsContact O-CB 3.24Å; L439-A443 WeakPolarHBondContact O-CB 3.5Å; L439-A443 PolarHBondContact O-N 3.4Å; L439-V444 PolarHBondContact O-N 3.34Å; L439-V444 VanDerWaalsContact O-N 3.1Å |
| 440 | D | 88.4 | Confident | 90.5 | Very high | 32 Ų | 32 | 43.9 Ų | 43.9 | 17% | 0.171 | 21% | 0.205 | C | C | . | . | I | π-helix | trans | -58.5 | -46.9 | 177.8 | -175.5 | 44.7 | 0 | 0 | 0 | 110.5 | R44 F115 I436 S445 | R44-D440 IonicContact NH2-OD2 2.87Å; R44-D440 PolarHBondContact NH2-OD2 3.02Å; F115-D440 HydrophobicContact CE1-CB 4.42Å; F115-D440 HydrophobicContact CE2-CB 3.99Å; F115-D440 HydrophobicContact CZ-CB 3.83Å; I436-D440 WeakPolarHBondContact O-CB 3.32Å; I436-D440 PolarHBondContact O-N 3.49Å; D440-S445 WeakPolarHBondContact O-CB 3.49Å; D440-S445 PolarHBondContact O-N 2.79Å; D440-S445 PolarHBondContact O-OG 2.98Å |
| 441 | H | 85.8 | Confident | 90.4 | Very high | 82 Ų | 82 | 42.7 Ų | 42.7 | 38% | 0.38 | 20% | 0.201 | S | C | . | . | I | π-helix | trans | -72.4 | -52.8 | -176.7 | -164.9 | 78.6 | 0 | 0 | 0 | 112.7 | E437 L439 Y446 | E437-H441 WeakPolarHBondContact O-CB 3.24Å; E437-H441 PolarHBondContact O-N 2.89Å; L439-H441 VanDerWaalsContact C-N 3.31Å; L439-H441 PolarHBondContact O-N 3.26Å; H441-Y446 AromaticContact CD2-CE2 3.76Å; H441-Y446 AromaticContact NE2-CE2 3.55Å; H441-Y446 AromaticContact NE2-CZ 3.91Å; H441-Y446 PolarHBondContact NE2-OH 3.36Å; H441-Y446 WeakPolarHBondContact O-CD2 3.41Å |
| 442 | Y | 88.1 | Confident | 90.2 | Very high | 121 Ų | 121 | 42.8 Ų | 42.8 | 48% | 0.475 | 20% | 0.201 | S | C | . | . | I | π-helix | trans | -92.3 | -37.2 | -169.9 | -67.2 | -73 | 0 | 0 | 0 | 114.3 | Y438 Y446 | Y438-Y442 HydrophobicContact CD1-CD2 4.46Å; Y438-Y442 AromaticContact CD2-CD2 3.61Å; Y438-Y442 HydrophobicContact CD2-CD2 3.61Å; Y438-Y442 AromaticContact CD2-CE2 3.83Å; Y438-Y442 HydrophobicContact CD2-CE2 3.83Å; Y438-Y442 HydrophobicContact CE1-CD2 4.45Å; Y438-Y442 AromaticContact CE2-CD2 3.6Å; Y438-Y442 HydrophobicContact CE2-CD2 3.6Å; Y438-Y442 AromaticContact CE2-CE2 3.8Å; Y438-Y442 HydrophobicContact CE2-CE2 3.8Å; Y438-Y442 HydrophobicContact CE2-CG 4.47Å; Y438-Y442 HydrophobicContact CG-CD2 4.06Å; Y438-Y442 WeakPolarHBondContact O-CB 3.5Å; Y438-Y442 WeakPolarHBondContact O-CD2 3.05Å; Y438-Y442 PolarHBondContact O-N 3.24Å; Y442-Y446 HydrophobicContact CD1-CD2 4.45Å; Y442-Y446 HydrophobicContact CD1-CE2 4.31Å |
| 443 | A | 91.1 | Very high | 89.9 | Confident | 17 Ų | 17 | 44.9 Ų | 44.9 | 14% | 0.14 | 21% | 0.212 | C | C | . | . | I | π-helix | trans | -87.8 | -43.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y111 L439 S447 | Y111-A443 HydrophobicContact CD2-CB 3.78Å; Y111-A443 HydrophobicContact CE2-CB 4.24Å; Y111-A443 HydrophobicContact CG-CB 4.05Å; L439-A443 HydrophobicContact CD2-CB 4.09Å; L439-A443 WeakPolarHBondContact O-CA 3.48Å; L439-A443 VanDerWaalsContact O-CB 3.24Å; L439-A443 WeakPolarHBondContact O-CB 3.5Å; L439-A443 PolarHBondContact O-N 3.4Å; A443-S447 WeakPolarHBondContact O-CB 3.47Å; A443-S447 PolarHBondContact O-OG 2.93Å |
| 444 | V | 92 | Very high | 89.8 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | I | π-helix | trans | -94.1 | -55.8 | -176.3 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | I108 M112 F115 F282 F288 L439 Y446 S447 V448 | I108-V444 HydrophobicContact CG2-CB 4.46Å; I108-V444 HydrophobicContact CG2-CG1 4.04Å; I108-V444 HydrophobicContact CG2-CG2 4.3Å; M112-V444 HydrophobicContact CB-CG2 4.04Å; M112-V444 HydrophobicContact CE-CG1 4.14Å; M112-V444 HydrophobicContact SD-CG1 4.27Å; F115-V444 HydrophobicContact CE1-CB 4.39Å; F115-V444 HydrophobicContact CE1-CG2 3.61Å; F115-V444 HydrophobicContact CZ-CB 4.45Å; F115-V444 HydrophobicContact CZ-CG2 4.05Å; F282-V444 HydrophobicContact CE1-CG1 4.45Å; F288-V444 HydrophobicContact CE1-CG1 3.91Å; F288-V444 HydrophobicContact CZ-CG1 4.01Å; L439-V444 PolarHBondContact O-N 3.34Å; L439-V444 VanDerWaalsContact O-N 3.1Å; V444-Y446 PolarHBondContact O-N 3.12Å; V444-S447 PolarHBondContact O-N 2.88Å; V444-V448 WeakPolarHBondContact O-CG1 3.43Å; V444-V448 PolarHBondContact O-N 3.2Å |
| 445 | S | 86.6 | Confident | 89.8 | Confident | 13 Ų | 13 | 42 Ų | 42 | 9% | 0.091 | 20% | 0.202 | C | C | . | . | I | π-helix | trans | -65 | -39.8 | -164.6 | -69.8 | 0 | 0 | 0 | 0 | 114.5 | F282 D440 L449 | F282-S445 VanDerWaalsContact CZ-CA 3.41Å; F282-S445 WeakPolarHBondContact CZ-OG 3.32Å; D440-S445 WeakPolarHBondContact O-CB 3.49Å; D440-S445 PolarHBondContact O-N 2.79Å; D440-S445 PolarHBondContact O-OG 2.98Å; S445-L449 WeakPolarHBondContact O-CD1 3.45Å |
| 446 | Y | 86.1 | Confident | 89.7 | Confident | 40 Ų | 40 | 40.5 Ų | 40.5 | 16% | 0.157 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -75.5 | -42.3 | 175.2 | -74.7 | -65.5 | 0 | 0 | 0 | 112.8 | H441 Y442 V444 L449 I450 V503 | H441-Y446 AromaticContact CD2-CE2 3.76Å; H441-Y446 AromaticContact NE2-CE2 3.55Å; H441-Y446 AromaticContact NE2-CZ 3.91Å; H441-Y446 PolarHBondContact NE2-OH 3.36Å; H441-Y446 WeakPolarHBondContact O-CD2 3.41Å; Y442-Y446 HydrophobicContact CD1-CD2 4.45Å; Y442-Y446 HydrophobicContact CD1-CE2 4.31Å; V444-Y446 PolarHBondContact O-N 3.12Å; Y446-L449 PolarHBondContact O-N 2.83Å; Y446-I450 PolarHBondContact O-N 3.17Å; Y446-V503 HydrophobicContact CD1-CG1 4.38Å; Y446-V503 HydrophobicContact CE1-CB 4.33Å; Y446-V503 HydrophobicContact CE1-CG1 3.52Å; Y446-V503 HydrophobicContact CE1-CG2 3.82Å |
| 447 | S | 90.8 | Very high | 89.6 | Confident | 41 Ų | 41 | 42.2 Ų | 42.2 | 29% | 0.287 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -66.8 | -43.3 | -172.8 | -52.8 | 0 | 0 | 0 | 0 | 112.1 | A443 V444 L449 I450 V451 | A443-S447 WeakPolarHBondContact O-CB 3.47Å; A443-S447 PolarHBondContact O-OG 2.93Å; V444-S447 PolarHBondContact O-N 2.88Å; S447-L449 PolarHBondContact O-N 3.47Å; S447-I450 PolarHBondContact O-N 2.65Å; S447-I450 VanDerWaalsContact O-N 3.1Å; S447-V451 WeakPolarHBondContact O-CG2 3.39Å; S447-V451 PolarHBondContact O-N 2.89Å |
| 448 | V | 91.4 | Very high | 89.7 | Confident | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.024 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.6 | -35.3 | 180 | 73.8 | 0 | 0 | 0 | 0 | 111.8 | I108 F282 F288 V444 V451 V452 | I108-V448 HydrophobicContact CD1-CB 4.49Å; I108-V448 HydrophobicContact CG2-CB 4.44Å; F282-V448 HydrophobicContact CD1-CG1 4.45Å; F282-V448 HydrophobicContact CE1-CG1 3.56Å; F282-V448 HydrophobicContact CZ-CG1 3.82Å; F288-V448 HydrophobicContact CD1-CG2 4.34Å; F288-V448 HydrophobicContact CD2-CG2 3.84Å; F288-V448 HydrophobicContact CE1-CG2 4.26Å; F288-V448 HydrophobicContact CE2-CG2 3.75Å; F288-V448 HydrophobicContact CG-CG2 4.16Å; F288-V448 HydrophobicContact CZ-CB 4.37Å; F288-V448 HydrophobicContact CZ-CG1 4.47Å; F288-V448 HydrophobicContact CZ-CG2 3.97Å; V444-V448 WeakPolarHBondContact O-CG1 3.43Å; V444-V448 PolarHBondContact O-N 3.2Å; V448-V451 PolarHBondContact O-N 3.32Å; V448-V452 PolarHBondContact O-N 2.99Å |
| 449 | L | 86.5 | Confident | 89.7 | Confident | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.016 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -73.6 | -29.2 | 179.9 | -68.4 | 171.3 | 0 | 0 | 0 | 112.6 | F281 F282 S445 Y446 S447 V452 M453 R499 | F281-L449 HydrophobicContact CB-CD2 4.13Å; F281-L449 HydrophobicContact CD2-CD2 3.47Å; F281-L449 VanDerWaalsContact CD2-CD2 3.47Å; F281-L449 HydrophobicContact CE2-CD2 4.23Å; F281-L449 HydrophobicContact CG-CD2 4.19Å; F282-L449 HydrophobicContact CE2-CD1 4.46Å; F282-L449 HydrophobicContact CZ-CD1 4.47Å; S445-L449 WeakPolarHBondContact O-CD1 3.45Å; Y446-L449 PolarHBondContact O-N 2.83Å; S447-L449 PolarHBondContact O-N 3.47Å; L449-V452 HydrophobicContact CD2-CG1 4.32Å; L449-V452 WeakPolarHBondContact O-CG1 3.37Å; L449-M453 VanDerWaalsContact O-CB 3.29Å; L449-M453 WeakPolarHBondContact O-CB 3.26Å; L449-M453 PolarHBondContact O-N 3.18Å; L449-R499 VanDerWaalsContact CD1-NE 3.32Å |
| 450 | I | 87.6 | Confident | 89.6 | Confident | 79 Ų | 79 | 29 Ų | 29 | 41% | 0.405 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -71.8 | -42.8 | 170.6 | -64.6 | 169.7 | 0 | 0 | 0 | 110.1 | Y446 S447 M453 L454 | Y446-I450 PolarHBondContact O-N 3.17Å; S447-I450 PolarHBondContact O-N 2.65Å; S447-I450 VanDerWaalsContact O-N 3.1Å; I450-M453 WeakPolarHBondContact O-CB 3.34Å; I450-M453 PolarHBondContact O-N 3.47Å; I450-L454 HydrophobicContact CG2-CD1 4.1Å; I450-L454 HydrophobicContact CG2-CG 4.5Å; I450-L454 WeakPolarHBondContact O-CG 3.21Å; I450-L454 PolarHBondContact O-N 2.83Å |
| 451 | V | 92 | Very high | 89.7 | Confident | 6 Ų | 6 | 33.7 Ų | 33.7 | 4% | 0.036 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61 | -52.4 | 178.9 | 167.4 | 0 | 0 | 0 | 0 | 111.1 | V101 A104 T105 I108 G287 S447 V448 M453 L454 E455 | V101-V451 HydrophobicContact CG1-CB 4.44Å; V101-V451 HydrophobicContact CG1-CG1 3.92Å; V101-V451 HydrophobicContact CG1-CG2 4.33Å; A104-V451 HydrophobicContact CB-CG2 4.2Å; T105-V451 WeakPolarHBondContact OG1-CG1 3.28Å; I108-V451 HydrophobicContact CD1-CB 4.49Å; I108-V451 HydrophobicContact CD1-CG2 3.72Å; G287-V451 WeakPolarHBondContact O-CG1 3.39Å; S447-V451 WeakPolarHBondContact O-CG2 3.39Å; S447-V451 PolarHBondContact O-N 2.89Å; V448-V451 PolarHBondContact O-N 3.32Å; V451-M453 PolarHBondContact O-N 3.07Å; V451-L454 PolarHBondContact O-N 3.45Å; V451-L454 VanDerWaalsContact O-N 3.17Å; V451-E455 PolarHBondContact O-N 3.1Å |
| 452 | V | 91.1 | Very high | 89.8 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.012 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63 | -32.4 | 179.9 | 76.2 | 0 | 0 | 0 | 0 | 111.9 | L72 P286 V448 L449 A456 | L72-V452 HydrophobicContact CD1-CG2 3.96Å; L72-V452 HydrophobicContact CD2-CG2 4.46Å; P286-V452 HydrophobicContact CB-CG2 3.77Å; V448-V452 PolarHBondContact O-N 2.99Å; L449-V452 HydrophobicContact CD2-CG1 4.32Å; L449-V452 WeakPolarHBondContact O-CG1 3.37Å; V452-A456 VanDerWaalsContact O-CB 3.3Å; V452-A456 WeakPolarHBondContact O-CB 3.49Å; V452-A456 PolarHBondContact O-N 3.02Å |
| 453 | M | 86.3 | Confident | 90 | Very high | 44 Ų | 44 | 29.1 Ų | 29.1 | 22% | 0.217 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65 | -49.8 | 174.2 | -175.7 | -173.3 | 68.4 | 0 | 0 | 111.6 | L449 I450 V451 E455 A456 V457 V496 | L449-M453 VanDerWaalsContact O-CB 3.29Å; L449-M453 WeakPolarHBondContact O-CB 3.26Å; L449-M453 PolarHBondContact O-N 3.18Å; I450-M453 WeakPolarHBondContact O-CB 3.34Å; I450-M453 PolarHBondContact O-N 3.47Å; V451-M453 PolarHBondContact O-N 3.07Å; M453-E455 VanDerWaalsContact C-N 3.29Å; M453-E455 PolarHBondContact O-N 3.33Å; M453-A456 PolarHBondContact O-N 3.34Å; M453-V457 HydrophobicContact CG-CG2 4.49Å; M453-V457 WeakPolarHBondContact O-CB 3.39Å; M453-V457 VanDerWaalsContact O-CG2 3.29Å; M453-V457 WeakPolarHBondContact O-CG2 3.44Å; M453-V457 PolarHBondContact O-N 3.49Å; M453-V496 HydrophobicContact CB-CB 4.39Å; M453-V496 HydrophobicContact CB-CG1 3.76Å; M453-V496 HydrophobicContact CG-CB 4.26Å; M453-V496 HydrophobicContact CG-CG1 3.93Å; M453-V496 HydrophobicContact SD-CG1 3.95Å |
| 454 | L | 90.6 | Very high | 89.9 | Confident | 56 Ų | 56 | 29.2 Ų | 29.2 | 29% | 0.293 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -61.8 | -41.5 | 179 | -73.1 | 173.4 | 0 | 0 | 0 | 110.7 | V101 I450 V451 V458 | V101-L454 HydrophobicContact CG2-CB 4.37Å; V101-L454 HydrophobicContact CG2-CD1 3.77Å; I450-L454 HydrophobicContact CG2-CD1 4.1Å; I450-L454 HydrophobicContact CG2-CG 4.5Å; I450-L454 WeakPolarHBondContact O-CG 3.21Å; I450-L454 PolarHBondContact O-N 2.83Å; V451-L454 PolarHBondContact O-N 3.45Å; V451-L454 VanDerWaalsContact O-N 3.17Å; L454-V458 VanDerWaalsContact O-CB 3.27Å; L454-V458 WeakPolarHBondContact O-CB 3.42Å; L454-V458 WeakPolarHBondContact O-CG2 3.41Å; L454-V458 PolarHBondContact O-N 3.39Å |
| 455 | E | 92.2 | Very high | 89.8 | Confident | 5 Ų | 5 | 30.5 Ų | 30.5 | 2% | 0.023 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.7 | -53.2 | 174.8 | -171.7 | 179.6 | 149.2 | 0 | 0 | 111.4 | M75 E76 L79 W91 V451 M453 V457 V458 V459 | M75-E455 HydrophobicContact CE-CG 4.16Å; E76-E455 WeakPolarHBondContact CG-OE1 3.27Å; L79-E455 WeakPolarHBondContact CD1-OE1 3.28Å; W91-E455 HydrophobicContact CH2-CB 4.5Å; W91-E455 HydrophobicContact CZ2-CB 4.39Å; V451-E455 PolarHBondContact O-N 3.1Å; M453-E455 VanDerWaalsContact C-N 3.29Å; M453-E455 PolarHBondContact O-N 3.33Å; E455-V457 PolarHBondContact O-N 2.98Å; E455-V458 PolarHBondContact O-N 3.47Å; E455-V459 HydrophobicContact CG-CG2 4.24Å; E455-V459 WeakPolarHBondContact O-CB 3.47Å; E455-V459 WeakPolarHBondContact O-CG2 3.37Å; E455-V459 PolarHBondContact O-N 3.14Å |
| 456 | A | 91.2 | Very high | 90.1 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 3% | 0.025 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.6 | -46.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | L72 M75 V452 M453 T460 C492 | L72-A456 HydrophobicContact CD2-CB 3.83Å; M75-A456 HydrophobicContact CE-CB 4.28Å; V452-A456 VanDerWaalsContact O-CB 3.3Å; V452-A456 WeakPolarHBondContact O-CB 3.49Å; V452-A456 PolarHBondContact O-N 3.02Å; M453-A456 PolarHBondContact O-N 3.34Å; A456-T460 VanDerWaalsContact O-CB 3.32Å; A456-T460 WeakPolarHBondContact O-CB 3.16Å; A456-T460 WeakPolarHBondContact O-CG2 3.42Å; A456-T460 PolarHBondContact O-N 3.34Å; A456-T460 VanDerWaalsContact O-N 3.12Å; A456-T460 PolarHBondContact O-OG1 2.6Å; A456-C492 HydrophobicContact CB-CB 4.46Å |
| 457 | V | 89.9 | Confident | 90.5 | Very high | 50 Ų | 50 | 43.8 Ų | 43.8 | 30% | 0.303 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.8 | -44.1 | 178.8 | 169.8 | 0 | 0 | 0 | 0 | 111.7 | M453 E455 T460 Y461 P493 | M453-V457 HydrophobicContact CG-CG2 4.49Å; M453-V457 WeakPolarHBondContact O-CB 3.39Å; M453-V457 VanDerWaalsContact O-CG2 3.29Å; M453-V457 WeakPolarHBondContact O-CG2 3.44Å; M453-V457 PolarHBondContact O-N 3.49Å; E455-V457 PolarHBondContact O-N 2.98Å; V457-T460 PolarHBondContact O-N 3.29Å; V457-T460 PolarHBondContact O-OG1 3.36Å; V457-Y461 HydrophobicContact CG1-CD2 4.14Å; V457-Y461 WeakPolarHBondContact O-CB 3.37Å; V457-Y461 PolarHBondContact O-N 3.36Å; V457-P493 HydrophobicContact CG2-CB 4.34Å |
| 458 | V | 91.7 | Very high | 90.7 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.024 | 20% | 0.203 | C | C | . | . | I | π-helix | trans | -67.6 | -45.2 | -178.2 | 169.9 | 0 | 0 | 0 | 0 | 110.9 | W91 L94 L95 L98 L454 E455 T460 V462 Y463 | W91-V458 HydrophobicContact CH2-CB 4.28Å; W91-V458 HydrophobicContact CH2-CG2 4.22Å; W91-V458 HydrophobicContact CZ3-CB 3.98Å; W91-V458 HydrophobicContact CZ3-CG1 3.81Å; W91-V458 HydrophobicContact CZ3-CG2 3.84Å; L94-V458 HydrophobicContact CB-CG1 4.05Å; L95-V458 HydrophobicContact CB-CG1 3.82Å; L95-V458 HydrophobicContact CD2-CG1 4.4Å; L95-V458 HydrophobicContact CD2-CG2 4.25Å; L98-V458 HydrophobicContact CD1-CG2 3.5Å; L454-V458 VanDerWaalsContact O-CB 3.27Å; L454-V458 WeakPolarHBondContact O-CB 3.42Å; L454-V458 WeakPolarHBondContact O-CG2 3.41Å; L454-V458 PolarHBondContact O-N 3.39Å; E455-V458 PolarHBondContact O-N 3.47Å; V458-T460 VanDerWaalsContact C-N 3.29Å; V458-T460 PolarHBondContact O-N 3.26Å; V458-V462 HydrophobicContact CG1-CB 4.37Å; V458-V462 CarbonylContact O-C 3.58Å; V458-V462 WeakPolarHBondContact O-CA 3.22Å; V458-V462 WeakPolarHBondContact O-CB 3.4Å; V458-V462 PolarHBondContact O-N 2.04Å; V458-V462 VanDerWaalsContact O-N 3.07Å; V458-Y463 WeakPolarHBondContact O-CB 3.29Å; V458-Y463 PolarHBondContact O-N 3.31Å |
| 459 | V | 92.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | I | π-helix | trans | -63.3 | -39.6 | -179.7 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | M75 L79 L94 E455 G464 F468 | M75-V459 HydrophobicContact CG-CG1 4.03Å; M75-V459 HydrophobicContact SD-CB 3.88Å; M75-V459 HydrophobicContact SD-CG1 3.73Å; M75-V459 HydrophobicContact SD-CG2 4.23Å; L79-V459 HydrophobicContact CD1-CG2 3.7Å; L79-V459 HydrophobicContact CD2-CG2 4.29Å; L94-V459 HydrophobicContact CD1-CG2 3.92Å; E455-V459 HydrophobicContact CG-CG2 4.24Å; E455-V459 WeakPolarHBondContact O-CB 3.47Å; E455-V459 WeakPolarHBondContact O-CG2 3.37Å; E455-V459 PolarHBondContact O-N 3.14Å; V459-G464 CarbonylContact O-C 3.53Å; V459-G464 PolarHBondContact O-N 2.84Å; V459-G464 VanDerWaalsContact O-N 3.15Å; V459-F468 HydrophobicContact CG1-CB 4.4Å; V459-F468 HydrophobicContact CG1-CD1 4.45Å; V459-F468 HydrophobicContact CG1-CD2 3.95Å; V459-F468 HydrophobicContact CG1-CE2 4.36Å; V459-F468 HydrophobicContact CG1-CG 4Å |
| 460 | T | 90.7 | Very high | 91.3 | Very high | 5 Ų | 5 | 44 Ų | 44 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -81.5 | -47.5 | -173.9 | 52.4 | 0 | 0 | 0 | 0 | 113.9 | A456 V457 V458 G464 I465 W488 | A456-T460 VanDerWaalsContact O-CB 3.32Å; A456-T460 WeakPolarHBondContact O-CB 3.16Å; A456-T460 WeakPolarHBondContact O-CG2 3.42Å; A456-T460 PolarHBondContact O-N 3.34Å; A456-T460 VanDerWaalsContact O-N 3.12Å; A456-T460 PolarHBondContact O-OG1 2.6Å; V457-T460 PolarHBondContact O-N 3.29Å; V457-T460 PolarHBondContact O-OG1 3.36Å; V458-T460 VanDerWaalsContact C-N 3.29Å; V458-T460 PolarHBondContact O-N 3.26Å; T460-G464 CarbonylContact O-C 3.59Å; T460-G464 WeakPolarHBondContact O-CA 3.4Å; T460-I465 PolarHBondContact O-N 3.17Å; T460-W488 HydrophobicContact CG2-CB 3.6Å |
| 461 | Y | 88.9 | Confident | 91.7 | Very high | 131 Ų | 131 | 40.9 Ų | 40.9 | 51% | 0.514 | 20% | 0.204 | S | C | . | . | I | π-helix | trans | -101.9 | -33.6 | -172 | -62.2 | -77 | 0 | 0 | 0 | 114 | V457 L489 P493 | V457-Y461 HydrophobicContact CG1-CD2 4.14Å; V457-Y461 WeakPolarHBondContact O-CB 3.37Å; V457-Y461 PolarHBondContact O-N 3.36Å; Y461-L489 PolarHBondContact OH-O 3.04Å; Y461-P493 HydrophobicContact CE2-CG 3.97Å |
| 462 | V | 89.4 | Confident | 91.9 | Very high | 77 Ų | 77 | 40.6 Ų | 40.6 | 47% | 0.467 | 20% | 0.202 | S | C | . | . | I | π-helix | trans | -95.2 | -58.7 | -174.7 | -174.6 | 0 | 0 | 0 | 0 | 111.8 | L95 V458 G464 | L95-V462 HydrophobicContact CD1-CG1 3.97Å; L95-V462 HydrophobicContact CD2-CG1 3.99Å; L95-V462 HydrophobicContact CG-CG1 4.41Å; V458-V462 HydrophobicContact CG1-CB 4.37Å; V458-V462 CarbonylContact O-C 3.58Å; V458-V462 WeakPolarHBondContact O-CA 3.22Å; V458-V462 WeakPolarHBondContact O-CB 3.4Å; V458-V462 PolarHBondContact O-N 2.04Å; V458-V462 VanDerWaalsContact O-N 3.07Å; V462-G464 PolarHBondContact O-N 2.65Å |
| 463 | Y | 90.7 | Very high | 92.2 | Very high | 30 Ų | 30 | 45.7 Ų | 45.7 | 12% | 0.118 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -36.6 | 170.3 | -174.3 | -107.2 | 0 | 0 | 0 | 110.3 | L94 V458 R467 F468 D471 | L94-Y463 HydrophobicContact CD2-CD1 4.04Å; L94-Y463 HydrophobicContact CD2-CD2 3.64Å; L94-Y463 HydrophobicContact CD2-CE1 4.39Å; L94-Y463 HydrophobicContact CD2-CE2 4.03Å; L94-Y463 HydrophobicContact CD2-CG 3.64Å; V458-Y463 WeakPolarHBondContact O-CB 3.29Å; V458-Y463 PolarHBondContact O-N 3.31Å; Y463-R467 HydrophobicContact CD1-CB 4.45Å; Y463-R467 HydrophobicContact CE1-CB 4.07Å; Y463-R467 WeakPolarHBondContact O-CD 3.34Å; Y463-F468 HydrophobicContact CD1-CB 4.23Å; Y463-F468 HydrophobicContact CE1-CB 4.23Å; Y463-D471 VanDerWaalsContact CE1-OD2 3.28Å; Y463-D471 WeakPolarHBondContact CE1-OD2 3.38Å; Y463-D471 PolarHBondContact OH-OD2 3.47Å |
| 464 | G | 89.5 | Confident | 92.6 | Very high | 19 Ų | 19 | 48.6 Ų | 48.6 | 20% | 0.196 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.4 | 124.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V459 T460 V462 Q466 R467 F468 | V459-G464 CarbonylContact O-C 3.53Å; V459-G464 PolarHBondContact O-N 2.84Å; V459-G464 VanDerWaalsContact O-N 3.15Å; T460-G464 CarbonylContact O-C 3.59Å; T460-G464 WeakPolarHBondContact O-CA 3.4Å; V462-G464 PolarHBondContact O-N 2.65Å; G464-Q466 PolarHBondContact O-N 3.32Å; G464-R467 PolarHBondContact O-N 2.65Å; G464-F468 PolarHBondContact O-N 3.37Å |
| 465 | I | 90.4 | Very high | 92.8 | Very high | 27 Ų | 27 | 46.2 Ų | 46.2 | 14% | 0.138 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -53 | -33.6 | -178 | -174.4 | 55.5 | 0 | 0 | 0 | 113.8 | T460 F468 C469 W488 L489 | T460-I465 PolarHBondContact O-N 3.17Å; I465-F468 HydrophobicContact CD1-CD1 4.32Å; I465-C469 WeakPolarHBondContact O-CB 3.3Å; I465-C469 PolarHBondContact O-N 3.23Å; I465-C469 PolarHBondContact O-SG 2.98Å; I465-W488 HydrophobicContact CD1-CE3 3.55Å; I465-W488 HydrophobicContact CD1-CZ3 4.1Å; I465-L489 HydrophobicContact CB-CD2 4.44Å; I465-L489 HydrophobicContact CG2-CD2 4.17Å |
| 466 | Q | 92.9 | Very high | 92.9 | Very high | 167 Ų | 167 | 48.3 Ų | 48.3 | 78% | 0.78 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -69 | -39.3 | -179.4 | -65.2 | -174.8 | 1.5 | 0 | 0 | 112.4 | G464 A470 | G464-Q466 PolarHBondContact O-N 3.32Å; Q466-A470 PolarHBondContact O-N 3.08Å; Q466-A470 VanDerWaalsContact O-N 3.1Å |
| 467 | R | 93.7 | Very high | 93 | Very high | 166 Ų | 166 | 51 Ų | 51 | 63% | 0.626 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -68 | -48.2 | 176.3 | -67 | -171.6 | -177.6 | 165.4 | -1.5 | 110 | Y463 G464 C469 A470 D471 | Y463-R467 HydrophobicContact CD1-CB 4.45Å; Y463-R467 HydrophobicContact CE1-CB 4.07Å; Y463-R467 WeakPolarHBondContact O-CD 3.34Å; G464-R467 PolarHBondContact O-N 2.65Å; R467-C469 VanDerWaalsContact C-N 3.31Å; R467-C469 PolarHBondContact O-N 2.96Å; R467-A470 CarbonylContact O-C 3.59Å; R467-A470 WeakPolarHBondContact O-CA 3.17Å; R467-A470 VanDerWaalsContact O-CB 3.3Å; R467-A470 WeakPolarHBondContact O-CB 3.24Å; R467-A470 PolarHBondContact O-N 3.25Å; R467-D471 VanDerWaalsContact O-CG 3.29Å; R467-D471 PolarHBondContact O-N 3.35Å |
| 468 | F | 94.9 | Very high | 93 | Very high | 4 Ų | 4 | 51.4 Ų | 51.4 | 2% | 0.018 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56 | -43.6 | 174.7 | -178.4 | -107.6 | 0 | 0 | 0 | 112.7 | M75 A78 L79 V459 Y463 G464 I465 A470 D471 V472 W488 | M75-F468 HydrophobicContact CB-CZ 4.35Å; M75-F468 HydrophobicContact CG-CE1 4.31Å; M75-F468 HydrophobicContact CG-CE2 4.37Å; M75-F468 HydrophobicContact CG-CZ 3.88Å; A78-F468 HydrophobicContact CB-CE2 3.81Å; A78-F468 HydrophobicContact CB-CZ 3.6Å; L79-F468 HydrophobicContact CD2-CD2 4.16Å; L79-F468 HydrophobicContact CD2-CE2 3.96Å; L79-F468 HydrophobicContact CG-CE2 4.02Å; V459-F468 HydrophobicContact CG1-CB 4.4Å; V459-F468 HydrophobicContact CG1-CD1 4.45Å; V459-F468 HydrophobicContact CG1-CD2 3.95Å; V459-F468 HydrophobicContact CG1-CE2 4.36Å; V459-F468 HydrophobicContact CG1-CG 4Å; Y463-F468 HydrophobicContact CD1-CB 4.23Å; Y463-F468 HydrophobicContact CE1-CB 4.23Å; G464-F468 PolarHBondContact O-N 3.37Å; I465-F468 HydrophobicContact CD1-CD1 4.32Å; F468-A470 VanDerWaalsContact C-N 3.27Å; F468-A470 PolarHBondContact O-N 3.15Å; F468-D471 WeakPolarHBondContact O-CB 3.25Å; F468-D471 PolarHBondContact O-N 3.07Å; F468-V472 HydrophobicContact CD1-CG2 4.47Å; F468-V472 HydrophobicContact CE1-CG2 4.05Å; F468-V472 HydrophobicContact CE2-CG2 4.41Å; F468-V472 HydrophobicContact CZ-CG2 4.01Å; F468-V472 WeakPolarHBondContact O-CG2 3.25Å; F468-V472 PolarHBondContact O-N 3.28Å; F468-W488 HydrophobicContact CD1-CH2 4.5Å; F468-W488 HydrophobicContact CD1-CZ3 4.12Å; F468-W488 HydrophobicContact CE1-CE3 4.33Å; F468-W488 AromaticContact CE1-CH2 3.71Å; F468-W488 HydrophobicContact CE1-CH2 3.71Å; F468-W488 HydrophobicContact CE1-CZ2 4.2Å; F468-W488 AromaticContact CE1-CZ3 3.77Å; F468-W488 HydrophobicContact CE1-CZ3 3.77Å |
| 469 | C | 95.4 | Very high | 93 | Very high | 4 Ų | 4 | 56.6 Ų | 56.6 | 3% | 0.027 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.7 | -30.9 | 174.6 | -72.8 | 0 | 0 | 0 | 0 | 113.4 | I465 R467 K473 P480 | I465-C469 WeakPolarHBondContact O-CB 3.3Å; I465-C469 PolarHBondContact O-N 3.23Å; I465-C469 PolarHBondContact O-SG 2.98Å; R467-C469 VanDerWaalsContact C-N 3.31Å; R467-C469 PolarHBondContact O-N 2.96Å; C469-K473 WeakPolarHBondContact O-CB 3.2Å; C469-K473 PolarHBondContact O-N 3.43Å; C469-K473 VanDerWaalsContact O-N 3.1Å; C469-P480 HydrophobicContact CB-CG 4.48Å |
| 470 | A | 96.3 | Very high | 93 | Very high | 43 Ų | 43 | 56.8 Ų | 56.8 | 36% | 0.355 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -71.4 | -42.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q466 R467 F468 V472 K473 L474 | Q466-A470 PolarHBondContact O-N 3.08Å; Q466-A470 VanDerWaalsContact O-N 3.1Å; R467-A470 CarbonylContact O-C 3.59Å; R467-A470 WeakPolarHBondContact O-CA 3.17Å; R467-A470 VanDerWaalsContact O-CB 3.3Å; R467-A470 WeakPolarHBondContact O-CB 3.24Å; R467-A470 PolarHBondContact O-N 3.25Å; F468-A470 VanDerWaalsContact C-N 3.27Å; F468-A470 PolarHBondContact O-N 3.15Å; A470-V472 VanDerWaalsContact C-N 3.34Å; A470-V472 PolarHBondContact O-N 3.17Å; A470-K473 WeakPolarHBondContact O-CB 3.38Å; A470-K473 PolarHBondContact O-N 3.12Å; A470-K473 VanDerWaalsContact O-N 3.1Å; A470-L474 WeakPolarHBondContact O-CG 3.27Å; A470-L474 PolarHBondContact O-N 3.21Å |
| 471 | D | 95.9 | Very high | 93 | Very high | 14 Ų | 14 | 60.1 Ų | 60.1 | 8% | 0.075 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.9 | -45.6 | 175.5 | -60 | -27.9 | 0 | 0 | 0 | 111.2 | Y82 Y463 R467 F468 K473 L474 M475 | Y82-D471 HydrophobicContact CD1-CB 3.97Å; Y82-D471 HydrophobicContact CD2-CB 3.81Å; Y82-D471 HydrophobicContact CE1-CB 3.82Å; Y82-D471 WeakPolarHBondContact CE1-OD1 3.33Å; Y82-D471 HydrophobicContact CE2-CB 3.69Å; Y82-D471 HydrophobicContact CG-CB 3.95Å; Y82-D471 PolarHBondContact OH-OD1 3.46Å; Y463-D471 VanDerWaalsContact CE1-OD2 3.28Å; Y463-D471 WeakPolarHBondContact CE1-OD2 3.38Å; Y463-D471 PolarHBondContact OH-OD2 3.47Å; R467-D471 VanDerWaalsContact O-CG 3.29Å; R467-D471 PolarHBondContact O-N 3.35Å; F468-D471 WeakPolarHBondContact O-CB 3.25Å; F468-D471 PolarHBondContact O-N 3.07Å; D471-K473 PolarHBondContact O-N 3.23Å; D471-L474 WeakPolarHBondContact O-CB 3.1Å; D471-L474 PolarHBondContact O-N 3.08Å; D471-M475 PolarHBondContact O-N 3.32Å |
| 472 | V | 96.4 | Very high | 93 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.9 | -44.5 | 172.9 | 171 | 0 | 0 | 0 | 0 | 111.7 | Y74 A78 F304 F468 A470 L474 M475 L476 P480 | Y74-V472 HydrophobicContact CE1-CG2 4.26Å; Y74-V472 WeakPolarHBondContact OH-CG1 3.34Å; A78-V472 HydrophobicContact CB-CG2 4.1Å; F304-V472 HydrophobicContact CZ-CG1 4.15Å; F304-V472 HydrophobicContact CZ-CG2 4.27Å; F468-V472 HydrophobicContact CD1-CG2 4.47Å; F468-V472 HydrophobicContact CE1-CG2 4.05Å; F468-V472 HydrophobicContact CE2-CG2 4.41Å; F468-V472 HydrophobicContact CZ-CG2 4.01Å; F468-V472 WeakPolarHBondContact O-CG2 3.25Å; F468-V472 PolarHBondContact O-N 3.28Å; A470-V472 VanDerWaalsContact C-N 3.34Å; A470-V472 PolarHBondContact O-N 3.17Å; V472-L474 PolarHBondContact O-N 3.42Å; V472-M475 PolarHBondContact O-N 2.87Å; V472-L476 HydrophobicContact CG1-CD1 4.01Å; V472-L476 HydrophobicContact CG1-CG 4.45Å; V472-L476 PolarHBondContact O-N 2.88Å; V472-P480 HydrophobicContact CB-CG 3.97Å; V472-P480 HydrophobicContact CG1-CG 3.8Å; V472-P480 HydrophobicContact CG2-CG 4.05Å |
| 473 | K | 95.9 | Very high | 93.1 | Very high | 109 Ų | 109 | 60.1 Ų | 60.1 | 47% | 0.474 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.5 | -34.4 | 178.2 | -170.1 | -171.9 | 178.7 | -175.5 | 0 | 111.7 | C469 A470 D471 M475 G477 A478 K479 | C469-K473 WeakPolarHBondContact O-CB 3.2Å; C469-K473 PolarHBondContact O-N 3.43Å; C469-K473 VanDerWaalsContact O-N 3.1Å; A470-K473 WeakPolarHBondContact O-CB 3.38Å; A470-K473 PolarHBondContact O-N 3.12Å; A470-K473 VanDerWaalsContact O-N 3.1Å; D471-K473 PolarHBondContact O-N 3.23Å; K473-M475 VanDerWaalsContact C-N 3.28Å; K473-M475 PolarHBondContact O-N 3.28Å; K473-G477 CarbonylContact O-C 3.54Å; K473-G477 WeakPolarHBondContact O-CA 3.27Å; K473-G477 PolarHBondContact O-N 3.19Å; K473-A478 WeakPolarHBondContact CA-O 3.5Å; K473-K479 HydrophobicContact CB-CG 3.99Å; K473-K479 HydrophobicContact CD-CG 3.96Å; K473-K479 HydrophobicContact CG-CG 4.18Å |
| 474 | L | 94.8 | Very high | 93.1 | Very high | 105 Ų | 105 | 59 Ų | 59 | 55% | 0.55 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.5 | -27.2 | 176.5 | -68.7 | 172.5 | 0 | 0 | 0 | 113 | Y82 A470 D471 V472 | Y82-L474 HydrophobicContact CE2-CD1 4.25Å; A470-L474 WeakPolarHBondContact O-CG 3.27Å; A470-L474 PolarHBondContact O-N 3.21Å; D471-L474 WeakPolarHBondContact O-CB 3.1Å; D471-L474 PolarHBondContact O-N 3.08Å; V472-L474 PolarHBondContact O-N 3.42Å |
| 475 | M | 95.3 | Very high | 93.1 | Very high | 6 Ų | 6 | 61.6 Ų | 61.6 | 3% | 0.03 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -93.6 | -42.6 | -179.6 | -65 | -176.5 | -71.8 | 0 | 0 | 113.4 | A78 Q81 Y82 K300 F304 D471 V472 K473 | A78-M475 HydrophobicContact CB-CE 4.33Å; Q81-M475 HydrophobicContact CB-SD 4.09Å; Q81-M475 HydrophobicContact CG-SD 3.97Å; Y82-M475 VanDerWaalsContact CA-SD 3.56Å; Y82-M475 HydrophobicContact CD2-CE 4.1Å; Y82-M475 HydrophobicContact CD2-CG 4.18Å; Y82-M475 HydrophobicContact CD2-SD 4Å; Y82-M475 HydrophobicContact CG-CE 4.27Å; Y82-M475 HydrophobicContact CG-SD 4.35Å; K300-M475 WeakPolarHBondContact O-CG 3.43Å; F304-M475 HydrophobicContact CE1-CB 4.1Å; F304-M475 HydrophobicContact CE1-CE 3.76Å; F304-M475 HydrophobicContact CE1-SD 4.19Å; F304-M475 HydrophobicContact CZ-CE 3.93Å; D471-M475 PolarHBondContact O-N 3.32Å; V472-M475 PolarHBondContact O-N 2.87Å; K473-M475 VanDerWaalsContact C-N 3.28Å; K473-M475 PolarHBondContact O-N 3.28Å |
| 476 | L | 94.8 | Very high | 93 | Very high | 50 Ų | 50 | 65.1 Ų | 65.1 | 26% | 0.262 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -102.5 | -6.5 | -175.3 | -62.7 | -177.9 | 0 | 0 | 0 | 113.9 | Y74 F304 V472 A478 | Y74-L476 HydrophobicContact CE2-CD1 4.45Å; Y74-L476 WeakPolarHBondContact OH-CD1 3.26Å; F304-L476 HydrophobicContact CD1-CD1 4.39Å; F304-L476 HydrophobicContact CD1-CD2 3.92Å; F304-L476 HydrophobicContact CD1-CG 4.23Å; F304-L476 HydrophobicContact CE1-CD1 3.78Å; F304-L476 HydrophobicContact CE1-CD2 3.76Å; F304-L476 HydrophobicContact CE1-CG 3.57Å; F304-L476 HydrophobicContact CE2-CD1 3.99Å; F304-L476 HydrophobicContact CZ-CD1 3.55Å; F304-L476 HydrophobicContact CZ-CD2 4.4Å; F304-L476 HydrophobicContact CZ-CG 3.83Å; V472-L476 HydrophobicContact CG1-CD1 4.01Å; V472-L476 HydrophobicContact CG1-CG 4.45Å; V472-L476 PolarHBondContact O-N 2.88Å; L476-A478 PolarHBondContact O-N 3.43Å; L476-A478 VanDerWaalsContact O-N 3.12Å |
| 477 | G | 92.4 | Very high | 92.8 | Very high | 58 Ų | 58 | 57.2 Ų | 57.2 | 60% | 0.598 | 30% | 0.298 | S | S | * | . | S | Bend | trans | 77.5 | -18.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | K473 | K473-G477 CarbonylContact O-C 3.54Å; K473-G477 WeakPolarHBondContact O-CA 3.27Å; K473-G477 PolarHBondContact O-N 3.19Å |
| 478 | A | 91.5 | Very high | 92.6 | Very high | 60 Ų | 60 | 49.4 Ų | 49.4 | 50% | 0.496 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -122.2 | 148.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | K473 L476 | K473-A478 WeakPolarHBondContact CA-O 3.5Å; L476-A478 PolarHBondContact O-N 3.43Å; L476-A478 VanDerWaalsContact O-N 3.12Å |
| 479 | K | 90.8 | Very high | 92.1 | Very high | 113 Ų | 113 | 51.9 Ų | 51.9 | 49% | 0.491 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 152.6 | 171.1 | -64.4 | -175.3 | 175.4 | -178 | 0 | 109.5 | K473 | K473-K479 HydrophobicContact CB-CG 3.99Å; K473-K479 HydrophobicContact CD-CG 3.96Å; K473-K479 HydrophobicContact CG-CG 4.18Å |
| 480 | P | 91.7 | Very high | 91.1 | Very high | 5 Ų | 5 | 55.6 Ų | 55.6 | 3% | 0.032 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -51.2 | 146.3 | 171 | -22.3 | 29.6 | 0 | 0 | 0 | 111.4 | Y74 C469 V472 L484 R485 W488 | Y74-P480 HydrophobicContact CE1-CG 4.49Å; C469-P480 HydrophobicContact CB-CG 4.48Å; V472-P480 HydrophobicContact CB-CG 3.97Å; V472-P480 HydrophobicContact CG1-CG 3.8Å; V472-P480 HydrophobicContact CG2-CG 4.05Å; P480-L484 HydrophobicContact CB-CB 4.43Å; P480-L484 HydrophobicContact CB-CD1 4.38Å; P480-R485 HydrophobicContact CB-CG 4.41Å; P480-R485 VanDerWaalsContact O-CZ 3.24Å; P480-R485 PolarHBondContact O-NE 2.95Å; P480-R485 PolarHBondContact O-NH2 3.34Å; P480-W488 HydrophobicContact CB-CH2 3.9Å; P480-W488 HydrophobicContact CB-CZ3 3.82Å; P480-W488 HydrophobicContact CG-CH2 4.04Å; P480-W488 HydrophobicContact CG-CZ3 3.94Å |
| 481 | N | 90.6 | Very high | 89.7 | Confident | 74 Ų | 74 | 55 Ų | 55 | 40% | 0.396 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 162.5 | 176.3 | 68.8 | 7.3 | 0 | 0 | 0 | 111.3 | F483 L484 R485 | N481-F483 PolarHBondContact O-N 3.5Å; N481-L484 PolarHBondContact O-N 2.94Å; N481-L484 WeakPolarHBondContact OD1-CB 3.29Å; N481-L484 WeakPolarHBondContact OD1-CD1 3.06Å; N481-L484 WeakPolarHBondContact OD1-CG 3.07Å; N481-L484 PolarHBondContact OD1-N 3.3Å; N481-R485 WeakPolarHBondContact O-CG 3.07Å; N481-R485 PolarHBondContact O-N 2.67Å |
| 482 | I | 89.4 | Confident | 88.3 | Confident | 133 Ų | 133 | 54.6 Ų | 54.6 | 68% | 0.682 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -65.4 | -31.7 | -177.2 | -141.4 | 160.4 | 0 | 0 | 0 | 111.6 | R485 M486 | I482-R485 PolarHBondContact O-N 3.44Å; I482-M486 WeakPolarHBondContact O-CG 3.42Å; I482-M486 PolarHBondContact O-N 3.06Å |
| 483 | F | 91.4 | Very high | 86.7 | Confident | 75 Ų | 75 | 55.6 Ų | 55.6 | 33% | 0.329 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -56.5 | -55.1 | 176 | 171.2 | -97.7 | 0 | 0 | 0 | 112.1 | I66 F67 N481 R485 M486 C487 | I66-F483 HydrophobicContact CG2-CE1 4.38Å; I66-F483 HydrophobicContact CG2-CE2 4.43Å; I66-F483 HydrophobicContact CG2-CZ 3.64Å; I66-F483 WeakPolarHBondContact O-CZ 3.35Å; F67-F483 AromaticContact CD1-CE2 3.95Å; F67-F483 HydrophobicContact CD1-CE2 3.95Å; F67-F483 HydrophobicContact CD1-CZ 4.15Å; F67-F483 AromaticContact CE1-CE2 3.68Å; F67-F483 HydrophobicContact CE1-CE2 3.68Å; F67-F483 HydrophobicContact CE1-CZ 4.27Å; F67-F483 HydrophobicContact CZ-CE2 4.26Å; N481-F483 PolarHBondContact O-N 3.5Å; F483-R485 VanDerWaalsContact C-N 3.27Å; F483-R485 PolarHBondContact O-N 2.84Å; F483-M486 PolarHBondContact O-N 3.11Å; F483-M486 VanDerWaalsContact O-N 3.09Å; F483-C487 WeakPolarHBondContact CZ-SG 3.26Å; F483-C487 PolarHBondContact O-N 3.42Å; F483-C487 PolarHBondContact O-SG 3.16Å; F483-C487 VanDerWaalsContact O-SG 3.4Å |
| 484 | L | 90.9 | Very high | 85.2 | Confident | 8 Ų | 8 | 52.7 Ų | 52.7 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.1 | -40.5 | 178.6 | -73.8 | 169.9 | 0 | 0 | 0 | 111.4 | P71 Y74 P480 N481 M486 C487 W488 | P71-L484 HydrophobicContact CB-CD2 3.96Å; P71-L484 HydrophobicContact CG-CD2 3.97Å; Y74-L484 HydrophobicContact CD2-CD1 4.45Å; Y74-L484 HydrophobicContact CE1-CD1 4.46Å; Y74-L484 HydrophobicContact CE2-CD1 4.44Å; Y74-L484 HydrophobicContact CG-CD1 4.46Å; P480-L484 HydrophobicContact CB-CB 4.43Å; P480-L484 HydrophobicContact CB-CD1 4.38Å; N481-L484 PolarHBondContact O-N 2.94Å; N481-L484 WeakPolarHBondContact OD1-CB 3.29Å; N481-L484 WeakPolarHBondContact OD1-CD1 3.06Å; N481-L484 WeakPolarHBondContact OD1-CG 3.07Å; N481-L484 PolarHBondContact OD1-N 3.3Å; L484-M486 VanDerWaalsContact C-N 3.34Å; L484-M486 PolarHBondContact O-N 3.23Å; L484-C487 WeakPolarHBondContact O-CB 3.22Å; L484-C487 PolarHBondContact O-N 3.35Å; L484-W488 HydrophobicContact CB-CE3 4.4Å; L484-W488 HydrophobicContact CB-CH2 3.76Å; L484-W488 HydrophobicContact CB-CZ2 3.96Å; L484-W488 HydrophobicContact CB-CZ3 4.01Å; L484-W488 HydrophobicContact CD1-CH2 4.3Å; L484-W488 HydrophobicContact CD2-CZ2 4.23Å; L484-W488 HydrophobicContact CG-CH2 4.49Å; L484-W488 HydrophobicContact CG-CZ2 4.47Å; L484-W488 VanDerWaalsContact O-CG 3.29Å; L484-W488 PolarHBondContact O-N 3.03Å |
| 485 | R | 90 | Very high | 83.3 | Confident | 73 Ų | 73 | 49.8 Ų | 49.8 | 28% | 0.275 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.3 | -41.8 | 176.8 | -61.6 | -178.1 | -155.2 | 171.6 | 10.4 | 112 | P480 N481 I482 F483 W488 L489 | P480-R485 HydrophobicContact CB-CG 4.41Å; P480-R485 VanDerWaalsContact O-CZ 3.24Å; P480-R485 PolarHBondContact O-NE 2.95Å; P480-R485 PolarHBondContact O-NH2 3.34Å; N481-R485 WeakPolarHBondContact O-CG 3.07Å; N481-R485 PolarHBondContact O-N 2.67Å; I482-R485 PolarHBondContact O-N 3.44Å; F483-R485 VanDerWaalsContact C-N 3.27Å; F483-R485 PolarHBondContact O-N 2.84Å; R485-W488 HydrophobicContact CG-CZ3 4.45Å; R485-W488 PolarHBondContact O-N 3.09Å; R485-L489 VanDerWaalsContact O-CB 3.31Å; R485-L489 WeakPolarHBondContact O-CB 3.37Å; R485-L489 WeakPolarHBondContact O-CD1 3.49Å; R485-L489 WeakPolarHBondContact O-CG 3.2Å; R485-L489 PolarHBondContact O-N 3.33Å |
| 486 | M | 88.1 | Confident | 81.4 | Confident | 100 Ų | 100 | 49.8 Ų | 49.8 | 49% | 0.493 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.7 | -40.6 | 176.1 | -69.4 | -55.9 | -64 | 0 | 0 | 111.8 | I482 F483 L484 W488 L489 V490 | I482-M486 WeakPolarHBondContact O-CG 3.42Å; I482-M486 PolarHBondContact O-N 3.06Å; F483-M486 PolarHBondContact O-N 3.11Å; F483-M486 VanDerWaalsContact O-N 3.09Å; L484-M486 VanDerWaalsContact C-N 3.34Å; L484-M486 PolarHBondContact O-N 3.23Å; M486-W488 VanDerWaalsContact C-N 3.32Å; M486-W488 PolarHBondContact O-N 3.21Å; M486-L489 PolarHBondContact O-N 3.07Å; M486-V490 HydrophobicContact CE-CG2 3.85Å; M486-V490 WeakPolarHBondContact O-CB 3.49Å; M486-V490 PolarHBondContact O-N 3.33Å |
| 487 | C | 89.7 | Confident | 79.8 | Confident | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.014 | 29% | 0.288 | C | S | . | . | I | π-helix | trans | -57.2 | -45.9 | 174.1 | -71.1 | 0 | 0 | 0 | 0 | 111.5 | P71 F483 L484 T491 C492 | P71-C487 HydrophobicContact CB-CB 3.88Å; P71-C487 HydrophobicContact CG-CB 3.64Å; F483-C487 WeakPolarHBondContact CZ-SG 3.26Å; F483-C487 PolarHBondContact O-N 3.42Å; F483-C487 PolarHBondContact O-SG 3.16Å; F483-C487 VanDerWaalsContact O-SG 3.4Å; L484-C487 WeakPolarHBondContact O-CB 3.22Å; L484-C487 PolarHBondContact O-N 3.35Å; C487-T491 CarbonylContact O-C 2.98Å; C487-T491 WeakPolarHBondContact O-CA 3.38Å; C487-T491 WeakPolarHBondContact O-CB 3.42Å; C487-T491 PolarHBondContact O-N 3.39Å; C487-C492 PolarHBondContact O-N 2.69Å; C487-C492 PolarHBondContact O-SG 2.66Å |
| 488 | W | 88.3 | Confident | 78.2 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | I | π-helix | trans | -70.1 | -36.9 | 178.4 | -60.7 | -42.2 | 0 | 0 | 0 | 113.1 | P71 Y74 M75 T460 I465 F468 P480 L484 R485 M486 P493 | P71-W488 VanDerWaalsContact C-NE1 3.28Å; P71-W488 PolarHBondContact O-NE1 3.27Å; Y74-W488 AromaticContact CD1-CH2 3.59Å; Y74-W488 HydrophobicContact CD1-CH2 3.59Å; Y74-W488 AromaticContact CD1-CZ2 3.4Å; Y74-W488 HydrophobicContact CD1-CZ2 3.4Å; Y74-W488 AromaticContact CE1-CH2 3.6Å; Y74-W488 HydrophobicContact CE1-CH2 3.6Å; Y74-W488 AromaticContact CE1-CZ2 3.93Å; Y74-W488 HydrophobicContact CE1-CZ2 3.93Å; Y74-W488 HydrophobicContact CG-CZ2 4.26Å; M75-W488 HydrophobicContact CB-CZ2 4.41Å; T460-W488 HydrophobicContact CG2-CB 3.6Å; I465-W488 HydrophobicContact CD1-CE3 3.55Å; I465-W488 HydrophobicContact CD1-CZ3 4.1Å; F468-W488 HydrophobicContact CD1-CH2 4.5Å; F468-W488 HydrophobicContact CD1-CZ3 4.12Å; F468-W488 HydrophobicContact CE1-CE3 4.33Å; F468-W488 AromaticContact CE1-CH2 3.71Å; F468-W488 HydrophobicContact CE1-CH2 3.71Å; F468-W488 HydrophobicContact CE1-CZ2 4.2Å; F468-W488 AromaticContact CE1-CZ3 3.77Å; F468-W488 HydrophobicContact CE1-CZ3 3.77Å; P480-W488 HydrophobicContact CB-CH2 3.9Å; P480-W488 HydrophobicContact CB-CZ3 3.82Å; P480-W488 HydrophobicContact CG-CH2 4.04Å; P480-W488 HydrophobicContact CG-CZ3 3.94Å; L484-W488 HydrophobicContact CB-CE3 4.4Å; L484-W488 HydrophobicContact CB-CH2 3.76Å; L484-W488 HydrophobicContact CB-CZ2 3.96Å; L484-W488 HydrophobicContact CB-CZ3 4.01Å; L484-W488 HydrophobicContact CD1-CH2 4.3Å; L484-W488 HydrophobicContact CD2-CZ2 4.23Å; L484-W488 HydrophobicContact CG-CH2 4.49Å; L484-W488 HydrophobicContact CG-CZ2 4.47Å; L484-W488 VanDerWaalsContact O-CG 3.29Å; L484-W488 PolarHBondContact O-N 3.03Å; R485-W488 HydrophobicContact CG-CZ3 4.45Å; R485-W488 PolarHBondContact O-N 3.09Å; M486-W488 VanDerWaalsContact C-N 3.32Å; M486-W488 PolarHBondContact O-N 3.21Å; W488-P493 WeakPolarHBondContact O-CD 3.47Å |
| 489 | L | 83.8 | Confident | 76.6 | Confident | 56 Ų | 56 | 49.3 Ų | 49.3 | 29% | 0.293 | 26% | 0.264 | S | S | . | . | I | π-helix | trans | -77.2 | -31.2 | -178 | -76 | 169.6 | 0 | 0 | 0 | 114.5 | Y461 I465 R485 M486 | Y461-L489 PolarHBondContact OH-O 3.04Å; I465-L489 HydrophobicContact CB-CD2 4.44Å; I465-L489 HydrophobicContact CG2-CD2 4.17Å; R485-L489 VanDerWaalsContact O-CB 3.31Å; R485-L489 WeakPolarHBondContact O-CB 3.37Å; R485-L489 WeakPolarHBondContact O-CD1 3.49Å; R485-L489 WeakPolarHBondContact O-CG 3.2Å; R485-L489 PolarHBondContact O-N 3.33Å; M486-L489 PolarHBondContact O-N 3.07Å |
| 490 | V | 74.8 | Confident | 75.1 | Confident | 82 Ų | 82 | 46 Ų | 46 | 50% | 0.497 | 25% | 0.252 | S | S | . | . | I | π-helix | trans | -119.8 | -48.3 | -170.4 | -178.8 | 0 | 0 | 0 | 0 | 110.9 | M486 A494 | M486-V490 HydrophobicContact CE-CG2 3.85Å; M486-V490 WeakPolarHBondContact O-CB 3.49Å; M486-V490 PolarHBondContact O-N 3.33Å; V490-A494 WeakPolarHBondContact O-CB 3.32Å |
| 491 | T | 67.1 | Low | 73.5 | Confident | 31 Ų | 31 | 54.9 Ų | 54.9 | 19% | 0.19 | 29% | 0.285 | C | S | . | . | I | π-helix | trans | -86.8 | -43.2 | -163 | -38.8 | 0 | 0 | 0 | 0 | 112.3 | F67 C487 A494 I495 | F67-T491 HydrophobicContact CB-CG2 3.89Å; C487-T491 CarbonylContact O-C 2.98Å; C487-T491 WeakPolarHBondContact O-CA 3.38Å; C487-T491 WeakPolarHBondContact O-CB 3.42Å; C487-T491 PolarHBondContact O-N 3.39Å; T491-A494 PolarHBondContact O-N 3.09Å; T491-I495 HydrophobicContact CG2-CD1 3.42Å; T491-I495 VanDerWaalsContact CG2-CD1 3.42Å; T491-I495 HydrophobicContact CG2-CG1 4.41Å; T491-I495 WeakPolarHBondContact O-CB 3.23Å; T491-I495 WeakPolarHBondContact O-CG1 3.37Å; T491-I495 PolarHBondContact O-N 3.49Å; T491-I495 VanDerWaalsContact O-N 3.13Å |
| 492 | C | 66.5 | Low | 71.8 | Confident | 4 Ų | 4 | 52.6 Ų | 52.6 | 3% | 0.027 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.3 | -45.6 | -176.7 | -63.4 | 0 | 0 | 0 | 0 | 112.8 | L72 A456 C487 V496 | L72-C492 HydrophobicContact CD2-CB 4.22Å; A456-C492 HydrophobicContact CB-CB 4.46Å; C487-C492 PolarHBondContact O-N 2.69Å; C487-C492 PolarHBondContact O-SG 2.66Å; C492-V496 WeakPolarHBondContact O-CG2 3.43Å |
| 493 | P | 63.9 | Low | 70.3 | Confident | 22 Ų | 22 | 47.3 Ų | 47.3 | 14% | 0.143 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -72.7 | -38.7 | 176.8 | -18.4 | 32.9 | 0 | 0 | 0 | 113.3 | V457 Y461 W488 A497 | V457-P493 HydrophobicContact CG2-CB 4.34Å; Y461-P493 HydrophobicContact CE2-CG 3.97Å; W488-P493 WeakPolarHBondContact O-CD 3.47Å; P493-A497 WeakPolarHBondContact O-CB 3.31Å; P493-A497 PolarHBondContact O-N 2.98Å |
| 494 | A | 62.9 | Low | 68.6 | Low | 48 Ų | 48 | 47.7 Ų | 47.7 | 40% | 0.397 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -69.5 | -42.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | V490 T491 V496 A497 V498 | V490-A494 WeakPolarHBondContact O-CB 3.32Å; T491-A494 PolarHBondContact O-N 3.09Å; A494-V496 VanDerWaalsContact C-N 3.32Å; A494-V496 PolarHBondContact O-N 2.87Å; A494-A497 PolarHBondContact O-N 3.03Å; A494-V498 VanDerWaalsContact O-CG2 3.29Å; A494-V498 WeakPolarHBondContact O-CG2 3.38Å; A494-V498 PolarHBondContact O-N 3.08Å |
| 495 | I | 56.1 | Low | 67.2 | Low | 43 Ų | 43 | 51.7 Ų | 51.7 | 22% | 0.221 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.7 | -34.9 | -178.7 | -72.7 | 169.5 | 0 | 0 | 0 | 111.2 | M64 C68 T491 V498 R499 | M64-I495 HydrophobicContact CE-CD1 4.45Å; M64-I495 HydrophobicContact CE-CG2 4.14Å; M64-I495 HydrophobicContact SD-CD1 4.15Å; M64-I495 HydrophobicContact SD-CG2 4Å; C68-I495 WeakPolarHBondContact SG-CD1 3.27Å; T491-I495 HydrophobicContact CG2-CD1 3.42Å; T491-I495 VanDerWaalsContact CG2-CD1 3.42Å; T491-I495 HydrophobicContact CG2-CG1 4.41Å; T491-I495 WeakPolarHBondContact O-CB 3.23Å; T491-I495 WeakPolarHBondContact O-CG1 3.37Å; T491-I495 PolarHBondContact O-N 3.49Å; T491-I495 VanDerWaalsContact O-N 3.13Å; I495-V498 PolarHBondContact O-N 3.23Å; I495-R499 PolarHBondContact O-N 3.09Å |
| 496 | V | 55.9 | Low | 65.5 | Low | 6 Ų | 6 | 50.9 Ų | 50.9 | 4% | 0.036 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -74.1 | -35.2 | 175.8 | -172.8 | 0 | 0 | 0 | 0 | 111.7 | F281 M453 C492 A494 V498 R499 N500 | F281-V496 HydrophobicContact CE2-CG2 4.35Å; M453-V496 HydrophobicContact CB-CB 4.39Å; M453-V496 HydrophobicContact CB-CG1 3.76Å; M453-V496 HydrophobicContact CG-CB 4.26Å; M453-V496 HydrophobicContact CG-CG1 3.93Å; M453-V496 HydrophobicContact SD-CG1 3.95Å; C492-V496 WeakPolarHBondContact O-CG2 3.43Å; A494-V496 VanDerWaalsContact C-N 3.32Å; A494-V496 PolarHBondContact O-N 2.87Å; V496-V498 VanDerWaalsContact C-N 3.33Å; V496-V498 PolarHBondContact O-N 2.83Å; V496-R499 PolarHBondContact O-N 3.24Å; V496-N500 PolarHBondContact O-N 3.25Å; V496-N500 VanDerWaalsContact O-N 3.14Å |
| 497 | A | 59.6 | Low | 64 | Low | 47 Ų | 47 | 51.7 Ų | 51.7 | 39% | 0.388 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.9 | -36.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | P493 A494 N500 R501 | P493-A497 WeakPolarHBondContact O-CB 3.31Å; P493-A497 PolarHBondContact O-N 2.98Å; A494-A497 PolarHBondContact O-N 3.03Å; A497-N500 PolarHBondContact O-N 2.85Å; A497-R501 PolarHBondContact O-N 3.05Å |
| 498 | V | 58.4 | Low | 62.6 | Low | 73 Ų | 73 | 57.3 Ų | 57.3 | 44% | 0.442 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 174.5 | 170 | 0 | 0 | 0 | 0 | 110.7 | A494 I495 V496 N500 R501 I502 | A494-V498 VanDerWaalsContact O-CG2 3.29Å; A494-V498 WeakPolarHBondContact O-CG2 3.38Å; A494-V498 PolarHBondContact O-N 3.08Å; I495-V498 PolarHBondContact O-N 3.23Å; V496-V498 VanDerWaalsContact C-N 3.33Å; V496-V498 PolarHBondContact O-N 2.83Å; V498-N500 PolarHBondContact O-N 3.38Å; V498-R501 PolarHBondContact O-N 3.25Å; V498-I502 HydrophobicContact CG1-CD1 3.57Å; V498-I502 HydrophobicContact CG1-CG1 4.4Å; V498-I502 VanDerWaalsContact O-CG1 3.26Å; V498-I502 WeakPolarHBondContact O-CG1 3.49Å; V498-I502 PolarHBondContact O-N 3.37Å |
| 499 | R | 59.9 | Low | 61.2 | Low | 38 Ų | 38 | 62.7 Ų | 62.7 | 14% | 0.143 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.5 | -46 | 174.1 | -176.8 | -177.4 | 175.7 | -104.2 | 7.4 | 111.9 | I274 L449 I495 V496 R501 I502 V503 | I274-R499 HydrophobicContact CG2-CG 4.45Å; L449-R499 VanDerWaalsContact CD1-NE 3.32Å; I495-R499 PolarHBondContact O-N 3.09Å; V496-R499 PolarHBondContact O-N 3.24Å; R499-R501 PolarHBondContact O-N 3.38Å; R499-I502 PolarHBondContact O-N 3.16Å; R499-I502 VanDerWaalsContact O-N 3.16Å; R499-V503 HydrophobicContact CG-CG2 3.99Å; R499-V503 WeakPolarHBondContact O-CB 3.45Å; R499-V503 VanDerWaalsContact O-CG2 3.28Å; R499-V503 WeakPolarHBondContact O-CG2 3.42Å; R499-V503 PolarHBondContact O-N 3.37Å |
| 500 | N | 58.6 | Low | 59.9 | Low | 45 Ų | 45 | 65 Ų | 65 | 24% | 0.241 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.6 | -38.1 | -179.6 | -74.4 | -21 | 0 | 0 | 0 | 112.5 | V496 A497 V498 I502 N504 | V496-N500 PolarHBondContact O-N 3.25Å; V496-N500 VanDerWaalsContact O-N 3.14Å; A497-N500 PolarHBondContact O-N 2.85Å; V498-N500 PolarHBondContact O-N 3.38Å; N500-I502 VanDerWaalsContact C-N 3.34Å; N500-N504 VanDerWaalsContact O-CB 3.26Å; N500-N504 WeakPolarHBondContact O-CB 3.37Å; N500-N504 PolarHBondContact O-N 2.65Å; N500-N504 PolarHBondContact O-ND2 2.88Å |
| 501 | R | 57.6 | Low | 59.2 | Low | 191 Ų | 191 | 63.2 Ų | 63.2 | 72% | 0.721 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.4 | -42.4 | 171.9 | -78.2 | -169.7 | 177.9 | -164.3 | 0.7 | 111.4 | A497 V498 R499 N504 I505 | A497-R501 PolarHBondContact O-N 3.05Å; V498-R501 PolarHBondContact O-N 3.25Å; R499-R501 PolarHBondContact O-N 3.38Å; R501-N504 PolarHBondContact O-N 2.84Å; R501-I505 WeakPolarHBondContact O-CB 3.15Å; R501-I505 WeakPolarHBondContact O-CD1 3.35Å; R501-I505 WeakPolarHBondContact O-CG1 3.46Å; R501-I505 PolarHBondContact O-N 2.93Å |
| 502 | I | 55.6 | Low | 58.7 | Low | 26 Ų | 26 | 70.4 Ų | 70.4 | 13% | 0.133 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -71.6 | -43.7 | -178.8 | -62.7 | 164.2 | 0 | 0 | 0 | 111.5 | I270 I274 V498 R499 N500 N504 I505 V506 | I270-I502 HydrophobicContact CD1-CD1 4.26Å; I270-I502 HydrophobicContact CG1-CD1 3.49Å; I270-I502 VanDerWaalsContact CG1-CD1 3.49Å; I274-I502 HydrophobicContact CD1-CB 3.98Å; I274-I502 HydrophobicContact CD1-CD1 3.52Å; I274-I502 HydrophobicContact CD1-CG1 4.33Å; I274-I502 HydrophobicContact CD1-CG2 3.5Å; I274-I502 VanDerWaalsContact CD1-CG2 3.5Å; I274-I502 HydrophobicContact CG1-CD1 4.12Å; V498-I502 HydrophobicContact CG1-CD1 3.57Å; V498-I502 HydrophobicContact CG1-CG1 4.4Å; V498-I502 VanDerWaalsContact O-CG1 3.26Å; V498-I502 WeakPolarHBondContact O-CG1 3.49Å; V498-I502 PolarHBondContact O-N 3.37Å; R499-I502 PolarHBondContact O-N 3.16Å; R499-I502 VanDerWaalsContact O-N 3.16Å; N500-I502 VanDerWaalsContact C-N 3.34Å; I502-N504 VanDerWaalsContact C-N 3.25Å; I502-N504 PolarHBondContact O-N 3.45Å; I502-I505 CarbonylContact O-C 3.6Å; I502-I505 WeakPolarHBondContact O-CB 3.32Å; I502-I505 PolarHBondContact O-N 3.4Å; I502-I505 VanDerWaalsContact O-N 3.08Å; I502-V506 HydrophobicContact CG2-CG2 4.13Å; I502-V506 WeakPolarHBondContact O-CB 3.41Å; I502-V506 WeakPolarHBondContact O-CG2 3.25Å; I502-V506 PolarHBondContact O-N 3.01Å |
| 503 | V | 57 | Low | 58.2 | Low | 21 Ų | 21 | 73.5 Ų | 73.5 | 13% | 0.127 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58 | -41.7 | 173 | 169.5 | 0 | 0 | 0 | 0 | 110.4 | Y446 R499 V506 R507 | Y446-V503 HydrophobicContact CD1-CG1 4.38Å; Y446-V503 HydrophobicContact CE1-CB 4.33Å; Y446-V503 HydrophobicContact CE1-CG1 3.52Å; Y446-V503 HydrophobicContact CE1-CG2 3.82Å; R499-V503 HydrophobicContact CG-CG2 3.99Å; R499-V503 WeakPolarHBondContact O-CB 3.45Å; R499-V503 VanDerWaalsContact O-CG2 3.28Å; R499-V503 WeakPolarHBondContact O-CG2 3.42Å; R499-V503 PolarHBondContact O-N 3.37Å; V503-V506 PolarHBondContact O-N 2.95Å; V503-R507 HydrophobicContact CG1-CG 4.38Å; V503-R507 VanDerWaalsContact O-CB 3.28Å; V503-R507 WeakPolarHBondContact O-CB 3.4Å; V503-R507 VanDerWaalsContact O-CG 3.28Å; V503-R507 WeakPolarHBondContact O-CG 3.4Å; V503-R507 PolarHBondContact O-N 3.18Å |
| 504 | N | 57.1 | Low | 57.5 | Low | 83 Ų | 83 | 82 Ų | 82 | 44% | 0.444 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66 | -39.4 | 175.8 | -73.6 | -16.8 | 0 | 0 | 0 | 112 | N500 R501 I502 H508 | N500-N504 VanDerWaalsContact O-CB 3.26Å; N500-N504 WeakPolarHBondContact O-CB 3.37Å; N500-N504 PolarHBondContact O-N 2.65Å; N500-N504 PolarHBondContact O-ND2 2.88Å; R501-N504 PolarHBondContact O-N 2.84Å; I502-N504 VanDerWaalsContact C-N 3.25Å; I502-N504 PolarHBondContact O-N 3.45Å; N504-H508 WeakPolarHBondContact O-CB 3.34Å; N504-H508 PolarHBondContact O-N 3Å; N504-H508 PolarHBondContact O-ND1 3.32Å |
| 505 | I | 61.4 | Low | 57 | Low | 92 Ų | 92 | 89.9 Ų | 89.9 | 47% | 0.472 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.9 | -46.1 | 175 | -70.5 | 162.1 | 0 | 0 | 0 | 110.8 | R501 I502 H508 M509 | R501-I505 WeakPolarHBondContact O-CB 3.15Å; R501-I505 WeakPolarHBondContact O-CD1 3.35Å; R501-I505 WeakPolarHBondContact O-CG1 3.46Å; R501-I505 PolarHBondContact O-N 2.93Å; I502-I505 CarbonylContact O-C 3.6Å; I502-I505 WeakPolarHBondContact O-CB 3.32Å; I502-I505 PolarHBondContact O-N 3.4Å; I502-I505 VanDerWaalsContact O-N 3.08Å; I505-H508 CarbonylContact O-C 3.01Å; I505-H508 WeakPolarHBondContact O-CB 3.34Å; I505-H508 PolarHBondContact O-N 2.87Å; I505-M509 HydrophobicContact CG2-CE 3.64Å; I505-M509 WeakPolarHBondContact O-CG 3.37Å; I505-M509 PolarHBondContact O-N 3.11Å |
| 506 | V | 53.5 | Low | 56.4 | Low | 57 Ų | 57 | 101 Ų | 101 | 35% | 0.345 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 177.5 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | I502 V503 H508 M509 I510 | I502-V506 HydrophobicContact CG2-CG2 4.13Å; I502-V506 WeakPolarHBondContact O-CB 3.41Å; I502-V506 WeakPolarHBondContact O-CG2 3.25Å; I502-V506 PolarHBondContact O-N 3.01Å; V503-V506 PolarHBondContact O-N 2.95Å; V506-H508 VanDerWaalsContact C-N 3.31Å; V506-H508 PolarHBondContact O-N 3.23Å; V506-M509 HydrophobicContact CG2-CE 4.4Å; V506-M509 PolarHBondContact O-N 3Å; V506-M509 VanDerWaalsContact O-N 3.13Å; V506-I510 HydrophobicContact CG1-CD1 3.78Å; V506-I510 HydrophobicContact CG1-CG1 4.33Å; V506-I510 WeakPolarHBondContact O-CG1 3.5Å; V506-I510 PolarHBondContact O-N 3.13Å |
| 507 | R | 57.4 | Low | 56.4 | Low | 117 Ų | 117 | 105.8 Ų | 105.8 | 44% | 0.442 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.4 | -41.1 | 172.1 | -77.8 | 179.1 | 179.3 | -179.3 | -0.4 | 111.9 | V503 M509 A511 | V503-R507 HydrophobicContact CG1-CG 4.38Å; V503-R507 VanDerWaalsContact O-CB 3.28Å; V503-R507 WeakPolarHBondContact O-CB 3.4Å; V503-R507 VanDerWaalsContact O-CG 3.28Å; V503-R507 WeakPolarHBondContact O-CG 3.4Å; V503-R507 PolarHBondContact O-N 3.18Å; R507-M509 VanDerWaalsContact C-N 3.35Å; R507-A511 WeakPolarHBondContact O-CB 3.33Å; R507-A511 PolarHBondContact O-N 3.26Å |
| 508 | H | 59.4 | Low | 56.3 | Low | 120 Ų | 120 | 108.9 Ų | 108.9 | 56% | 0.556 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.6 | -36.2 | 174.8 | -83.7 | 74.4 | 0 | 0 | 0 | 112.2 | N504 I505 V506 R512 | N504-H508 WeakPolarHBondContact O-CB 3.34Å; N504-H508 PolarHBondContact O-N 3Å; N504-H508 PolarHBondContact O-ND1 3.32Å; I505-H508 CarbonylContact O-C 3.01Å; I505-H508 WeakPolarHBondContact O-CB 3.34Å; I505-H508 PolarHBondContact O-N 2.87Å; V506-H508 VanDerWaalsContact C-N 3.31Å; V506-H508 PolarHBondContact O-N 3.23Å; H508-R512 WeakPolarHBondContact O-CB 3.5Å; H508-R512 VanDerWaalsContact O-CG 3.28Å; H508-R512 WeakPolarHBondContact O-CG 3.33Å; H508-R512 PolarHBondContact O-N 3.04Å |
| 509 | M | 57.8 | Low | 56.1 | Low | 115 Ų | 115 | 110.9 Ų | 110.9 | 57% | 0.567 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68 | -45.6 | 175.1 | -75.1 | -163.1 | -89.2 | 0 | 0 | 111.7 | I505 V506 R507 R512 A513 | I505-M509 HydrophobicContact CG2-CE 3.64Å; I505-M509 WeakPolarHBondContact O-CG 3.37Å; I505-M509 PolarHBondContact O-N 3.11Å; V506-M509 HydrophobicContact CG2-CE 4.4Å; V506-M509 PolarHBondContact O-N 3Å; V506-M509 VanDerWaalsContact O-N 3.13Å; R507-M509 VanDerWaalsContact C-N 3.35Å; M509-R512 PolarHBondContact O-N 3.12Å; M509-A513 WeakPolarHBondContact O-CB 3.42Å; M509-A513 PolarHBondContact O-N 3.2Å |
| 510 | I | 58.2 | Low | 55.9 | Low | 105 Ų | 105 | 115.2 Ų | 115.2 | 54% | 0.538 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.5 | -45.9 | 175.6 | -66.7 | 168.7 | 0 | 0 | 0 | 110.3 | V506 R512 A513 Y514 | V506-I510 HydrophobicContact CG1-CD1 3.78Å; V506-I510 HydrophobicContact CG1-CG1 4.33Å; V506-I510 WeakPolarHBondContact O-CG1 3.5Å; V506-I510 PolarHBondContact O-N 3.13Å; I510-R512 VanDerWaalsContact C-N 3.34Å; I510-R512 PolarHBondContact O-N 2.97Å; I510-A513 PolarHBondContact O-N 3.31Å; I510-A513 VanDerWaalsContact O-N 3.12Å; I510-Y514 PolarHBondContact O-N 2.71Å |
| 511 | A | 58.7 | Low | 55.8 | Low | 44 Ų | 44 | 119.6 Ų | 119.6 | 36% | 0.364 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -58.6 | -45.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | R507 A513 Y514 Y515 | R507-A511 WeakPolarHBondContact O-CB 3.33Å; R507-A511 PolarHBondContact O-N 3.26Å; A511-A513 VanDerWaalsContact C-N 3.3Å; A511-A513 PolarHBondContact O-N 2.78Å; A511-Y514 PolarHBondContact O-N 3.24Å; A511-Y515 WeakPolarHBondContact O-CD2 2.99Å; A511-Y515 PolarHBondContact O-N 3.16Å; A511-Y515 VanDerWaalsContact O-N 3.1Å |
| 512 | R | 58.4 | Low | 55.6 | Low | 181 Ų | 181 | 114.8 Ų | 114.8 | 68% | 0.683 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.2 | -32.1 | 175.5 | -77.3 | 180 | -170.2 | -174.7 | 4 | 113.6 | H508 M509 I510 | H508-R512 WeakPolarHBondContact O-CB 3.5Å; H508-R512 VanDerWaalsContact O-CG 3.28Å; H508-R512 WeakPolarHBondContact O-CG 3.33Å; H508-R512 PolarHBondContact O-N 3.04Å; M509-R512 PolarHBondContact O-N 3.12Å; I510-R512 VanDerWaalsContact C-N 3.34Å; I510-R512 PolarHBondContact O-N 2.97Å |
| 513 | A | 55.5 | Low | 55.6 | Low | 69 Ų | 69 | 121.1 Ų | 121.1 | 57% | 0.57 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -73.8 | -29.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | M509 I510 A511 | M509-A513 WeakPolarHBondContact O-CB 3.42Å; M509-A513 PolarHBondContact O-N 3.2Å; I510-A513 PolarHBondContact O-N 3.31Å; I510-A513 VanDerWaalsContact O-N 3.12Å; A511-A513 VanDerWaalsContact C-N 3.3Å; A511-A513 PolarHBondContact O-N 2.78Å |
| 514 | Y | 49.5 | Very low | 55.5 | Low | 202 Ų | 202 | 128.8 Ų | 128.8 | 79% | 0.792 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -81.3 | -21.7 | 177.2 | -137.1 | -90.4 | 0 | 0 | 0 | 113.4 | I510 A511 | I510-Y514 PolarHBondContact O-N 2.71Å; A511-Y514 PolarHBondContact O-N 3.24Å |
| 515 | Y | 50.8 | Low | 55.4 | Low | 212 Ų | 212 | 132.7 Ų | 132.7 | 83% | 0.831 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | 9.8 | 177.5 | -78 | -70.1 | 0 | 0 | 0 | 114 | A511 | A511-Y515 WeakPolarHBondContact O-CD2 2.99Å; A511-Y515 PolarHBondContact O-N 3.16Å; A511-Y515 VanDerWaalsContact O-N 3.1Å |
| 516 | R | 44.3 | Very low | 54.9 | Low | 278 Ų | 278 | 136.4 Ų | 136.4 | 100% | 1.049 | 61% | 0.612 | S | S | * | * | trans | -112.3 | 0 | 167.2 | -78.9 | -175.7 | 176.6 | -170.3 | -1.4 | 108.8 |
Retrieved 516 of 516 residues in 615.5 ms
(Link to these results)