| 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 | 45.9 | Very low | 81.4 | Confident | 217 Ų | 217 | 89.1 Ų | 89.1 | 100% | 1.069 | 45% | 0.453 | S | S | * | . | 0 | -31.6 | 0 | -98.6 | -173.5 | -84.4 | 0 | 0 | 113.9 | K3 L4 | M1-K3 PolarHBondContact O-N 2.71Å; M1-L4 PolarHBondContact O-N 2.98Å | |||
| 2 | E | 56.7 | Low | 82.2 | Confident | 189 Ų | 189 | 90 Ų | 90 | 88% | 0.883 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -24.7 | 174.8 | -73.5 | -177.4 | 153.8 | 0 | 0 | 114.5 | L4 | E2-L4 VanDerWaalsContact C-N 3.27Å; E2-L4 PolarHBondContact O-N 3.32Å |
| 3 | K | 68.4 | Low | 82.7 | Confident | 55 Ų | 55 | 83.8 Ų | 83.8 | 24% | 0.239 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -21.2 | -180 | -62.6 | -172.6 | 174.8 | -174.4 | 0 | 114.3 | M1 F9 S10 F12 D63 G64 | M1-K3 PolarHBondContact O-N 2.71Å; K3-F9 HydrophobicContact CB-CD2 4.17Å; K3-F9 HydrophobicContact CB-CE2 3.91Å; K3-F9 HydrophobicContact CD-CE2 4.23Å; K3-F9 HydrophobicContact CD-CZ 4.45Å; K3-F9 VanDerWaalsContact O-CA 3.32Å; K3-F9 WeakPolarHBondContact O-CA 3.45Å; K3-S10 PolarHBondContact O-N 2.85Å; K3-F12 HydrophobicContact CG-CD2 4.32Å; K3-D63 PolarHBondContact NZ-O 3.09Å; K3-G64 PolarHBondContact NZ-O 3.11Å |
| 4 | L | 76 | Confident | 82.4 | Confident | 67 Ų | 67 | 79.6 Ų | 79.6 | 35% | 0.351 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 92.4 | 174.3 | -71.8 | 173.5 | 0 | 0 | 0 | 109.4 | M1 E2 W8 F9 V34 V37 L49 | M1-L4 PolarHBondContact O-N 2.98Å; E2-L4 VanDerWaalsContact C-N 3.27Å; E2-L4 PolarHBondContact O-N 3.32Å; L4-W8 CarbonylContact C-O 3.53Å; L4-W8 WeakPolarHBondContact CA-O 3.36Å; L4-F9 HydrophobicContact CD2-CB 3.84Å; L4-F9 HydrophobicContact CD2-CD2 4.05Å; L4-F9 HydrophobicContact CD2-CG 4.45Å; L4-F9 HydrophobicContact CG-CD2 4.46Å; L4-V34 HydrophobicContact CD2-CG2 3.69Å; L4-V37 HydrophobicContact CD1-CG2 3.91Å; L4-L49 HydrophobicContact CD1-CD1 4.35Å; L4-L49 HydrophobicContact CD1-CD2 4.32Å |
| 5 | A | 81.4 | Confident | 81.4 | Confident | 55 Ų | 55 | 84.1 Ų | 84.1 | 46% | 0.455 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 131.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | G7 W8 | A5-G7 PolarHBondContact O-N 3.24Å; A5-G7 VanDerWaalsContact O-N 3.09Å; A5-W8 PolarHBondContact N-O 2.93Å; A5-W8 PolarHBondContact O-N 2.84Å |
| 6 | K | 88.4 | Confident | 79.9 | Confident | 209 Ų | 209 | 88.9 Ų | 88.9 | 91% | 0.909 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 33.6 | 174.4 | -56.6 | 178 | -179.7 | 175.3 | 0 | 114.1 | ||
| 7 | G | 94.1 | Very high | 78.1 | Confident | 44 Ų | 44 | 91.1 Ų | 91.1 | 45% | 0.454 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | 12.7 | -179 | 0 | 0 | 0 | 0 | 0 | 115 | A5 V34 | A5-G7 PolarHBondContact O-N 3.24Å; A5-G7 VanDerWaalsContact O-N 3.09Å; G7-V34 PolarHBondContact O-N 3.46Å |
| 8 | W | 97.3 | Very high | 76.8 | Confident | 118 Ų | 118 | 90.8 Ų | 90.8 | 45% | 0.447 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 142.7 | 175.5 | -64.6 | 81.2 | 0 | 0 | 0 | 110.6 | L4 A5 L32 K33 | L4-W8 CarbonylContact C-O 3.53Å; L4-W8 WeakPolarHBondContact CA-O 3.36Å; A5-W8 PolarHBondContact N-O 2.93Å; A5-W8 PolarHBondContact O-N 2.84Å; W8-L32 WeakPolarHBondContact CA-O 3.41Å; W8-K33 HydrophobicContact CD2-CB 4.06Å; W8-K33 HydrophobicContact CD2-CG 4.26Å; W8-K33 HydrophobicContact CE3-CB 3.85Å; W8-K33 VanDerWaalsContact CE3-N 3.34Å; W8-K33 HydrophobicContact CH2-CB 3.85Å; W8-K33 HydrophobicContact CH2-CD 4.23Å; W8-K33 HydrophobicContact CH2-CG 4.39Å; W8-K33 HydrophobicContact CZ2-CB 4.06Å; W8-K33 HydrophobicContact CZ2-CD 3.84Å; W8-K33 HydrophobicContact CZ2-CG 4.1Å; W8-K33 HydrophobicContact CZ3-CB 3.74Å |
| 9 | F | 97.3 | Very high | 76.3 | Confident | 2 Ų | 2 | 89.1 Ų | 89.1 | 1% | 0.009 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 128.7 | 161.4 | 174.5 | -96 | 0 | 0 | 0 | 107.9 | K3 L4 E11 S31 L32 V34 L49 F51 V61 I66 | K3-F9 HydrophobicContact CB-CD2 4.17Å; K3-F9 HydrophobicContact CB-CE2 3.91Å; K3-F9 HydrophobicContact CD-CE2 4.23Å; K3-F9 HydrophobicContact CD-CZ 4.45Å; K3-F9 VanDerWaalsContact O-CA 3.32Å; K3-F9 WeakPolarHBondContact O-CA 3.45Å; L4-F9 HydrophobicContact CD2-CB 3.84Å; L4-F9 HydrophobicContact CD2-CD2 4.05Å; L4-F9 HydrophobicContact CD2-CG 4.45Å; L4-F9 HydrophobicContact CG-CD2 4.46Å; F9-E11 HydrophobicContact CE1-CB 4.03Å; F9-S31 CarbonylContact O-C 3.6Å; F9-S31 WeakPolarHBondContact O-CA 3.27Å; F9-L32 PolarHBondContact N-O 2.58Å; F9-L32 PolarHBondContact O-N 3.4Å; F9-V34 HydrophobicContact CB-CG2 3.7Å; F9-L49 HydrophobicContact CD2-CD2 3.83Å; F9-L49 HydrophobicContact CE2-CD2 3.88Å; F9-F51 HydrophobicContact CB-CE1 3.84Å; F9-F51 HydrophobicContact CB-CE2 4.3Å; F9-F51 HydrophobicContact CB-CZ 3.63Å; F9-F51 AromaticContact CD1-CE1 3.93Å; F9-F51 HydrophobicContact CD1-CE1 3.93Å; F9-F51 AromaticContact CD1-CZ 3.92Å; F9-F51 HydrophobicContact CD1-CZ 3.92Å; F9-F51 HydrophobicContact CD2-CE1 4.18Å; F9-F51 AromaticContact CG-CE1 3.69Å; F9-F51 HydrophobicContact CG-CE1 3.69Å; F9-F51 AromaticContact CG-CZ 3.85Å; F9-F51 HydrophobicContact CG-CZ 3.85Å; F9-V61 HydrophobicContact CE1-CG1 4.33Å; F9-V61 HydrophobicContact CE1-CG2 3.99Å; F9-V61 HydrophobicContact CE2-CG1 3.86Å; F9-V61 HydrophobicContact CE2-CG2 4.3Å; F9-V61 HydrophobicContact CZ-CB 4.3Å; F9-V61 HydrophobicContact CZ-CG1 3.46Å; F9-V61 VanDerWaalsContact CZ-CG1 3.46Å; F9-V61 HydrophobicContact CZ-CG2 3.85Å; F9-I66 HydrophobicContact CD1-CD1 4.42Å; F9-I66 HydrophobicContact CD1-CG1 4.45Å; F9-I66 HydrophobicContact CE1-CD1 4.09Å; F9-I66 HydrophobicContact CE1-CG1 3.73Å |
| 10 | S | 95.6 | Very high | 76.1 | Confident | 22 Ų | 22 | 87 Ų | 87 | 15% | 0.154 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 121.5 | 174.8 | -61.7 | 0 | 0 | 0 | 0 | 110.5 | K3 F12 F30 S31 | K3-S10 PolarHBondContact O-N 2.85Å; S10-F12 VanDerWaalsContact CB-CZ 3.46Å; S10-F12 VanDerWaalsContact O-CD2 3.3Å; S10-F12 WeakPolarHBondContact O-CD2 3.49Å; S10-F12 WeakPolarHBondContact O-CE2 3.2Å; S10-F30 CarbonylContact C-O 3.59Å; S10-F30 WeakPolarHBondContact CA-O 3.44Å; S10-S31 WeakPolarHBondContact CB-OG 3.38Å; S10-S31 PolarHBondContact OG-OG 3.05Å |
| 11 | E | 94.4 | Very high | 76 | Confident | 2 Ų | 2 | 87.4 Ų | 87.4 | 1% | 0.009 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 115.7 | 167.9 | 177.8 | 172.7 | -142.3 | 0 | 0 | 108.7 | F9 W25 A29 F30 I65 I66 | F9-E11 HydrophobicContact CE1-CB 4.03Å; E11-W25 HydrophobicContact CG-CZ2 4.2Å; E11-A29 WeakPolarHBondContact O-CA 3.36Å; E11-A29 WeakPolarHBondContact O-CB 3.42Å; E11-F30 PolarHBondContact N-O 3.13Å; E11-F30 PolarHBondContact O-N 3.33Å; E11-I65 HydrophobicContact CG-CD1 4.29Å; E11-I65 VanDerWaalsContact OE1-CA 3.31Å; E11-I65 WeakPolarHBondContact OE1-CA 3.28Å; E11-I65 WeakPolarHBondContact OE1-CG2 3.19Å; E11-I66 HydrophobicContact CB-CD1 4.35Å; E11-I66 HydrophobicContact CB-CG1 4.34Å; E11-I66 PolarHBondContact OE1-N 3.1Å |
| 12 | F | 91 | Very high | 77.7 | Confident | 100 Ų | 100 | 79.2 Ų | 79.2 | 44% | 0.439 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 151.6 | 177.3 | -62.9 | -83.4 | 0 | 0 | 0 | 109.5 | K3 S10 A29 | K3-F12 HydrophobicContact CG-CD2 4.32Å; S10-F12 VanDerWaalsContact CB-CZ 3.46Å; S10-F12 VanDerWaalsContact O-CD2 3.3Å; S10-F12 WeakPolarHBondContact O-CD2 3.49Å; S10-F12 WeakPolarHBondContact O-CE2 3.2Å; F12-A29 HydrophobicContact CD1-CB 3.69Å; F12-A29 HydrophobicContact CE1-CB 3.87Å; F12-A29 HydrophobicContact CG-CB 4.47Å |
| 13 | S | 88.5 | Confident | 78.9 | Confident | 9 Ų | 9 | 70.3 Ų | 70.3 | 6% | 0.063 | 39% | 0.388 | C | S | . | . | trans | -47.6 | 136.7 | 168.2 | -178.9 | 0 | 0 | 0 | 0 | 110.5 | E15 S24 W25 K26 | S13-E15 PolarHBondContact O-N 3.47Å; S13-S24 WeakPolarHBondContact OG-CA 3.43Å; S13-S24 WeakPolarHBondContact OG-CB 3.47Å; S13-W25 PolarHBondContact OG-N 3.48Å; S13-K26 PolarHBondContact OG-N 2.68Å | ||
| 14 | P | 78.8 | Confident | 79.7 | Confident | 25 Ų | 25 | 69 Ų | 69 | 16% | 0.162 | 39% | 0.386 | C | S | . | . | trans | -56.8 | 124.3 | 166.4 | -17.1 | 27.6 | 0 | 0 | 0 | 108.5 | E19 W25 I65 | P14-E19 WeakPolarHBondContact CA-OE2 3.34Å; P14-E19 WeakPolarHBondContact CB-OE2 3.4Å; P14-W25 VanDerWaalsContact CD-CH2 3.4Å; P14-W25 HydrophobicContact CG-CH2 3.88Å; P14-W25 HydrophobicContact CG-CZ2 4.49Å; P14-W25 HydrophobicContact CG-CZ3 4.01Å; P14-I65 HydrophobicContact CG-CD1 4.27Å | ||
| 15 | E | 67.9 | Low | 80.3 | Confident | 148 Ų | 148 | 66.3 Ų | 66.3 | 69% | 0.692 | 37% | 0.371 | S | S | * | . | trans | -127.1 | 4.7 | -179.5 | -73.8 | -169.7 | -179.6 | 0 | 0 | 112 | S13 S17 E19 | S13-E15 PolarHBondContact O-N 3.47Å; E15-S17 PolarHBondContact O-N 2.83Å; E15-E19 PolarHBondContact N-OE2 2.88Å | ||
| 16 | R | 57.6 | Low | 80.6 | Confident | 160 Ų | 160 | 70.3 Ų | 70.3 | 60% | 0.604 | 38% | 0.378 | S | S | * | . | trans | -70.5 | 139.7 | -173.5 | -60.3 | -178.6 | 172.1 | 167.6 | 2.1 | 110.2 | G18 E19 | R16-G18 PolarHBondContact O-N 2.94Å; R16-G18 VanDerWaalsContact O-N 3.14Å; R16-E19 HydrophobicContact CB-CG 4.14Å; R16-E19 WeakPolarHBondContact CB-OE1 3.29Å; R16-E19 WeakPolarHBondContact CD-OE1 3.34Å; R16-E19 PolarHBondContact N-OE2 2.94Å; R16-E19 PolarHBondContact O-N 2.85Å; R16-E19 VanDerWaalsContact O-N 3.11Å | ||
| 17 | S | 48 | Very low | 80.6 | Confident | 127 Ų | 127 | 64.3 Ų | 64.3 | 89% | 0.888 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 119.3 | 171.5 | 56 | 0 | 0 | 0 | 0 | 110.3 | E15 | E15-S17 PolarHBondContact O-N 2.83Š|
| 18 | G | 55.6 | Low | 80.5 | Confident | 86 Ų | 86 | 66.5 Ų | 66.5 | 89% | 0.887 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 106.9 | -13.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | R16 | R16-G18 PolarHBondContact O-N 2.94Å; R16-G18 VanDerWaalsContact O-N 3.14Å |
| 19 | E | 66.9 | Low | 80.3 | Confident | 58 Ų | 58 | 63.6 Ų | 63.6 | 27% | 0.271 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -71.8 | 146.7 | 171.3 | -71.2 | 168.1 | 176.3 | 0 | 0 | 110.5 | P14 E15 R16 P21 | P14-E19 WeakPolarHBondContact CA-OE2 3.34Å; P14-E19 WeakPolarHBondContact CB-OE2 3.4Å; E15-E19 PolarHBondContact N-OE2 2.88Å; R16-E19 HydrophobicContact CB-CG 4.14Å; R16-E19 WeakPolarHBondContact CB-OE1 3.29Å; R16-E19 WeakPolarHBondContact CD-OE1 3.34Å; R16-E19 PolarHBondContact N-OE2 2.94Å; R16-E19 PolarHBondContact O-N 2.85Å; R16-E19 VanDerWaalsContact O-N 3.11Å; E19-P21 WeakPolarHBondContact O-CD 3.39Å; E19-P21 VanDerWaalsContact O-N 3.12Å |
| 20 | N | 71.6 | Confident | 80.1 | Confident | 46 Ų | 46 | 66.5 Ų | 66.5 | 25% | 0.246 | 39% | 0.388 | C | S | . | . | trans | -60.5 | 115.8 | 179.8 | -178.1 | -10.7 | 0 | 0 | 0 | 109.3 | L22 L23 | N20-L22 PolarHBondContact O-N 2.71Å; N20-L22 VanDerWaalsContact OD1-CB 3.28Å; N20-L22 WeakPolarHBondContact OD1-CB 3.35Å; N20-L22 VanDerWaalsContact OD1-CG 3.32Å; N20-L22 WeakPolarHBondContact OD1-CG 3.42Å; N20-L22 PolarHBondContact OD1-N 3.48Å; N20-L23 HydrophobicContact CB-CD1 4.02Å; N20-L23 HydrophobicContact CB-CG 4.24Å; N20-L23 WeakPolarHBondContact O-CB 3.27Å; N20-L23 PolarHBondContact O-N 3.18Å | ||
| 21 | P | 74.7 | Confident | 80.2 | Confident | 97 Ų | 97 | 67.7 Ų | 67.7 | 63% | 0.63 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -61.8 | -17.7 | -176 | 25.3 | -34.7 | 0 | 0 | 0 | 113.1 | E19 L23 S24 | E19-P21 WeakPolarHBondContact O-CD 3.39Å; E19-P21 VanDerWaalsContact O-N 3.12Å; P21-L23 PolarHBondContact O-N 2.85Å; P21-S24 PolarHBondContact O-N 2.86Å |
| 22 | L | 80.8 | Confident | 80.3 | Confident | 44 Ų | 44 | 67.9 Ų | 67.9 | 23% | 0.23 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -72.9 | -11.8 | 176.4 | -55.8 | 179.5 | 0 | 0 | 0 | 113.9 | N20 H210 D212 L213 Q216 | N20-L22 PolarHBondContact O-N 2.71Å; N20-L22 VanDerWaalsContact OD1-CB 3.28Å; N20-L22 WeakPolarHBondContact OD1-CB 3.35Å; N20-L22 VanDerWaalsContact OD1-CG 3.32Å; N20-L22 WeakPolarHBondContact OD1-CG 3.42Å; N20-L22 PolarHBondContact OD1-N 3.48Å; L22-H210 PolarHBondContact O-CD2 3.3Å; L22-D212 HydrophobicContact CD2-CB 3.91Å; L22-L213 HydrophobicContact CB-CB 4.07Å; L22-L213 HydrophobicContact CB-CD1 4.32Å; L22-L213 HydrophobicContact CD1-CB 4.44Å; L22-L213 HydrophobicContact CD1-CD1 4.15Å; L22-Q216 VanDerWaalsContact CD1-NE2 3.3Å |
| 23 | L | 83.6 | Confident | 80.7 | Confident | 3 Ų | 3 | 67.2 Ų | 67.2 | 2% | 0.016 | 39% | 0.394 | C | S | . | . | G | 310 helix | trans | -94.2 | -3.5 | 175.5 | -65.7 | 171.8 | 0 | 0 | 0 | 113.3 | N20 P21 W25 D173 P174 V175 E205 H210 L213 | N20-L23 HydrophobicContact CB-CD1 4.02Å; N20-L23 HydrophobicContact CB-CG 4.24Å; N20-L23 WeakPolarHBondContact O-CB 3.27Å; N20-L23 PolarHBondContact O-N 3.18Å; P21-L23 PolarHBondContact O-N 2.85Å; L23-W25 VanDerWaalsContact O-CZ3 3.27Å; L23-W25 WeakPolarHBondContact O-CZ3 3.35Å; L23-D173 HydrophobicContact CD1-CB 3.99Å; L23-D173 HydrophobicContact CD2-CB 4.13Å; L23-P174 HydrophobicContact CD1-CG 4.13Å; L23-P174 HydrophobicContact CD2-CG 4.08Å; L23-V175 HydrophobicContact CD1-CB 4.41Å; L23-V175 HydrophobicContact CD1-CG1 3.44Å; L23-V175 VanDerWaalsContact CD1-CG1 3.44Å; L23-V175 HydrophobicContact CD1-CG2 4.26Å; L23-E205 HydrophobicContact CD2-CG 4.26Å; L23-H210 PolarHBondContact O-NE2 3.23Å; L23-L213 HydrophobicContact CD2-CD2 3.49Å; L23-L213 VanDerWaalsContact CD2-CD2 3.49Å; L23-L213 HydrophobicContact CG-CD2 4.37Å |
| 24 | S | 83.9 | Confident | 81.1 | Confident | 27 Ų | 27 | 68 Ų | 68 | 19% | 0.189 | 40% | 0.399 | C | S | . | . | trans | -83.1 | 135.3 | -175.3 | 100.2 | 0 | 0 | 0 | 0 | 111.3 | S13 P21 K26 | S13-S24 WeakPolarHBondContact OG-CA 3.43Å; S13-S24 WeakPolarHBondContact OG-CB 3.47Å; P21-S24 PolarHBondContact O-N 2.86Å; S24-K26 WeakPolarHBondContact OG-CD 3.22Å; S24-K26 WeakPolarHBondContact OG-CE 3.3Å; S24-K26 WeakPolarHBondContact OG-CG 3.41Å | ||
| 25 | W | 89.9 | Confident | 82 | Confident | 11 Ų | 11 | 73.4 Ų | 73.4 | 4% | 0.042 | 42% | 0.422 | C | S | . | . | trans | -109.2 | 49.9 | 167 | 54.9 | 89.4 | 0 | 0 | 0 | 111 | E11 S13 P14 L23 G27 Q28 I65 L209 H210 P239 | E11-W25 HydrophobicContact CG-CZ2 4.2Å; S13-W25 PolarHBondContact OG-N 3.48Å; P14-W25 VanDerWaalsContact CD-CH2 3.4Å; P14-W25 HydrophobicContact CG-CH2 3.88Å; P14-W25 HydrophobicContact CG-CZ2 4.49Å; P14-W25 HydrophobicContact CG-CZ3 4.01Å; L23-W25 VanDerWaalsContact O-CZ3 3.27Å; L23-W25 WeakPolarHBondContact O-CZ3 3.35Å; W25-G27 PolarHBondContact O-N 3.17Å; W25-Q28 WeakPolarHBondContact O-CB 3.32Å; W25-Q28 PolarHBondContact O-N 2.78Å; W25-I65 HydrophobicContact CH2-CD1 3.92Å; W25-I65 HydrophobicContact CZ2-CD1 4.03Å; W25-L209 HydrophobicContact CB-CD1 3.86Å; W25-L209 HydrophobicContact CB-CD2 4Å; W25-L209 HydrophobicContact CB-CG 4.39Å; W25-H210 AromaticContact CE3-CE1 3.94Å; W25-H210 AromaticContact CE3-NE2 3.78Å; W25-P239 HydrophobicContact CD2-CB 4.03Å; W25-P239 HydrophobicContact CD2-CG 3.9Å; W25-P239 HydrophobicContact CE3-CB 4.38Å; W25-P239 HydrophobicContact CE3-CG 4.13Å; W25-P239 HydrophobicContact CG-CB 4.22Å; W25-P239 HydrophobicContact CH2-CG 3.96Å; W25-P239 HydrophobicContact CZ2-CG 3.72Å; W25-P239 HydrophobicContact CZ3-CG 4.17Å | ||
| 26 | K | 86.9 | Confident | 83.4 | Confident | 139 Ų | 139 | 72.7 Ų | 72.7 | 60% | 0.604 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43.2 | 137.8 | -174.3 | -81.3 | 168.4 | -175.6 | -179.8 | 0 | 113.8 | S13 S24 Q28 | S13-K26 PolarHBondContact OG-N 2.68Å; S24-K26 WeakPolarHBondContact OG-CD 3.22Å; S24-K26 WeakPolarHBondContact OG-CE 3.3Å; S24-K26 WeakPolarHBondContact OG-CG 3.41Å; K26-Q28 VanDerWaalsContact C-N 3.27Å; K26-Q28 PolarHBondContact O-N 2.88Å |
| 27 | G | 89.3 | Confident | 85.4 | Confident | 83 Ų | 83 | 68 Ų | 68 | 86% | 0.856 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.8 | 5.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | W25 | W25-G27 PolarHBondContact O-N 3.17Š|
| 28 | Q | 91 | Very high | 87.8 | Confident | 90 Ų | 90 | 64.3 Ų | 64.3 | 42% | 0.421 | 38% | 0.375 | S | S | . | . | trans | -117.8 | 146 | 175.2 | -60.2 | 168.6 | 74.3 | 0 | 0 | 110.7 | W25 K26 L209 | W25-Q28 WeakPolarHBondContact O-CB 3.32Å; W25-Q28 PolarHBondContact O-N 2.78Å; K26-Q28 VanDerWaalsContact C-N 3.27Å; K26-Q28 PolarHBondContact O-N 2.88Å; Q28-L209 VanDerWaalsContact NE2-CD2 3.32Å | ||
| 29 | A | 92.7 | Very high | 89.8 | Confident | 57 Ų | 57 | 63.2 Ų | 63.2 | 47% | 0.471 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 143.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | E11 F12 | E11-A29 WeakPolarHBondContact O-CA 3.36Å; E11-A29 WeakPolarHBondContact O-CB 3.42Å; F12-A29 HydrophobicContact CD1-CB 3.69Å; F12-A29 HydrophobicContact CE1-CB 3.87Å; F12-A29 HydrophobicContact CG-CB 4.47Å |
| 30 | F | 94.5 | Very high | 91.3 | Very high | 62 Ų | 62 | 64.6 Ų | 64.6 | 27% | 0.272 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 140.2 | 171 | -178 | -107.8 | 0 | 0 | 0 | 108.9 | S10 E11 L32 I66 T237 | S10-F30 CarbonylContact C-O 3.59Å; S10-F30 WeakPolarHBondContact CA-O 3.44Å; E11-F30 PolarHBondContact N-O 3.13Å; E11-F30 PolarHBondContact O-N 3.33Å; F30-L32 HydrophobicContact CD1-CG 4.31Å; F30-L32 HydrophobicContact CE1-CD1 4.05Å; F30-L32 HydrophobicContact CE1-CD2 3.54Å; F30-L32 HydrophobicContact CE1-CG 3.58Å; F30-L32 HydrophobicContact CZ-CD2 3.67Å; F30-L32 HydrophobicContact CZ-CG 4.24Å; F30-I66 HydrophobicContact CD1-CD1 3.84Å; F30-I66 HydrophobicContact CE1-CD1 4.19Å; F30-T237 HydrophobicContact CE1-CG2 3.74Å; F30-T237 HydrophobicContact CZ-CG2 4Å |
| 31 | S | 96.3 | Very high | 92.5 | Very high | 48 Ų | 48 | 64.1 Ų | 64.1 | 34% | 0.336 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 134.5 | -175.2 | -60.8 | 0 | 0 | 0 | 0 | 112.2 | F9 S10 | F9-S31 CarbonylContact O-C 3.6Å; F9-S31 WeakPolarHBondContact O-CA 3.27Å; S10-S31 WeakPolarHBondContact CB-OG 3.38Å; S10-S31 PolarHBondContact OG-OG 3.05Å |
| 32 | L | 97.9 | Very high | 93.5 | Very high | 6 Ų | 6 | 67.6 Ų | 67.6 | 3% | 0.031 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 135.4 | 175.1 | -67.2 | 179.5 | 0 | 0 | 0 | 109.7 | W8 F9 F30 V34 F51 Y56 V59 I66 | W8-L32 WeakPolarHBondContact CA-O 3.41Å; F9-L32 PolarHBondContact N-O 2.58Å; F9-L32 PolarHBondContact O-N 3.4Å; F30-L32 HydrophobicContact CD1-CG 4.31Å; F30-L32 HydrophobicContact CE1-CD1 4.05Å; F30-L32 HydrophobicContact CE1-CD2 3.54Å; F30-L32 HydrophobicContact CE1-CG 3.58Å; F30-L32 HydrophobicContact CZ-CD2 3.67Å; F30-L32 HydrophobicContact CZ-CG 4.24Å; L32-V34 PolarHBondContact O-N 3.12Å; L32-F51 HydrophobicContact CB-CE2 4.28Å; L32-F51 HydrophobicContact CB-CZ 4.25Å; L32-F51 HydrophobicContact CD1-CZ 4.41Å; L32-Y56 HydrophobicContact CD2-CD2 3.45Å; L32-Y56 VanDerWaalsContact CD2-CD2 3.45Å; L32-Y56 HydrophobicContact CD2-CE2 3.8Å; L32-Y56 HydrophobicContact CD2-CG 4.06Å; L32-V59 HydrophobicContact CD1-CG1 4.42Å; L32-V59 HydrophobicContact CD1-CG2 3.84Å; L32-I66 HydrophobicContact CD1-CD1 4.04Å |
| 33 | K | 97.7 | Very high | 94.3 | Very high | 86 Ų | 86 | 66.6 Ų | 66.6 | 37% | 0.374 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 128.2 | 175.2 | -165.7 | 171.2 | 169.9 | -157.1 | 0 | 109.5 | W8 S53 E54 | W8-K33 HydrophobicContact CD2-CB 4.06Å; W8-K33 HydrophobicContact CD2-CG 4.26Å; W8-K33 HydrophobicContact CE3-CB 3.85Å; W8-K33 VanDerWaalsContact CE3-N 3.34Å; W8-K33 HydrophobicContact CH2-CB 3.85Å; W8-K33 HydrophobicContact CH2-CD 4.23Å; W8-K33 HydrophobicContact CH2-CG 4.39Å; W8-K33 HydrophobicContact CZ2-CB 4.06Å; W8-K33 HydrophobicContact CZ2-CD 3.84Å; W8-K33 HydrophobicContact CZ2-CG 4.1Å; W8-K33 HydrophobicContact CZ3-CB 3.74Å; K33-S53 VanDerWaalsContact O-CA 3.29Å; K33-S53 WeakPolarHBondContact O-CA 3.32Å; K33-E54 HydrophobicContact CB-CB 4.14Å; K33-E54 WeakPolarHBondContact CD-OE2 3.29Å; K33-E54 WeakPolarHBondContact CE-OE2 3.33Å; K33-E54 IonicContact NZ-OE1 2.76Å; K33-E54 IonicContact NZ-OE2 3.85Å; K33-E54 PolarHBondContact NZ-OE2 2.74Å; K33-E54 PolarHBondContact O-N 2.87Å |
| 34 | V | 98.3 | Very high | 94.8 | Very high | 25 Ų | 25 | 75 Ų | 75 | 15% | 0.152 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 119.7 | -176.2 | -179.6 | 0 | 0 | 0 | 0 | 108.4 | L4 G7 F9 L32 V37 F51 | L4-V34 HydrophobicContact CD2-CG2 3.69Å; G7-V34 PolarHBondContact O-N 3.46Å; F9-V34 HydrophobicContact CB-CG2 3.7Å; L32-V34 PolarHBondContact O-N 3.12Å; V34-V37 HydrophobicContact CG1-CG2 4.23Å; V34-F51 HydrophobicContact CB-CD2 4.23Å; V34-F51 HydrophobicContact CG1-CB 4.13Å; V34-F51 HydrophobicContact CG1-CD2 4Å; V34-F51 HydrophobicContact CG1-CG 4.29Å; V34-F51 HydrophobicContact CG2-CD2 3.76Å; V34-F51 HydrophobicContact CG2-CE2 3.82Å; V34-F51 HydrophobicContact CG2-CG 4.3Å; V34-F51 HydrophobicContact CG2-CZ 4.4Å |
| 35 | E | 97.7 | Very high | 95.1 | Very high | 138 Ų | 138 | 77.6 Ų | 77.6 | 65% | 0.645 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.6 | -47.6 | 170.2 | -173.6 | -174.1 | 157.8 | 0 | 0 | 110.1 | Q52 | E35-Q52 HydrophobicContact CB-CB 4.42Å; E35-Q52 HydrophobicContact CB-CG 4.06Å; E35-Q52 WeakPolarHBondContact CB-O 3.18Å; E35-Q52 HydrophobicContact CG-CG 4.47Å; E35-Q52 PolarHBondContact N-O 3.11Å; E35-Q52 WeakPolarHBondContact OE2-CG 3.48Å |
| 36 | K | 97.4 | Very high | 95.3 | Very high | 133 Ų | 133 | 77.5 Ų | 77.5 | 58% | 0.578 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 136.3 | 179.9 | -177.9 | 177.6 | 176.6 | -175 | 0 | 112 | L38 F51 Q52 | K36-L38 HydrophobicContact CD-CD2 4.21Å; K36-L38 HydrophobicContact CG-CD2 4.32Å; K36-F51 CarbonylContact O-C 3.6Å; K36-F51 WeakPolarHBondContact O-CA 3.46Å; K36-F51 WeakPolarHBondContact O-CB 3.3Å; K36-Q52 HydrophobicContact CB-CB 4.48Å; K36-Q52 PolarHBondContact N-O 3.22Å; K36-Q52 PolarHBondContact O-N 2.97Å |
| 37 | V | 98 | Very high | 95.7 | Very high | 63 Ų | 63 | 73.6 Ų | 73.6 | 38% | 0.382 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 125.5 | 166.2 | 179.4 | 0 | 0 | 0 | 0 | 109.1 | L4 V34 L49 F51 | L4-V37 HydrophobicContact CD1-CG2 3.91Å; V34-V37 HydrophobicContact CG1-CG2 4.23Å; V37-L49 HydrophobicContact CG1-CD1 3.78Å; V37-F51 HydrophobicContact CG2-CB 4.48Å |
| 38 | L | 98.3 | Very high | 96.1 | Very high | 48 Ų | 48 | 69.7 Ų | 69.7 | 25% | 0.251 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | -39.9 | -178 | -59.1 | 176.9 | 0 | 0 | 0 | 111.3 | K36 I50 Q52 K58 Y133 | K36-L38 HydrophobicContact CD-CD2 4.21Å; K36-L38 HydrophobicContact CG-CD2 4.32Å; L38-I50 WeakPolarHBondContact CA-O 3.42Å; L38-I50 HydrophobicContact CB-CG2 4.49Å; L38-I50 WeakPolarHBondContact CB-O 3.42Å; L38-I50 HydrophobicContact CD1-CG2 4.29Å; L38-I50 PolarHBondContact N-O 3.4Å; L38-Q52 HydrophobicContact CD1-CB 4.32Å; L38-Q52 HydrophobicContact CG-CB 4.45Å; L38-K58 HydrophobicContact CD1-CD 3.65Å; L38-K58 HydrophobicContact CD1-CG 3.82Å; L38-Y133 HydrophobicContact CB-CD1 3.83Å; L38-Y133 HydrophobicContact CB-CE1 4.17Å; L38-Y133 HydrophobicContact CB-CG 4.47Å |
| 39 | Y | 98.3 | Very high | 96.4 | Very high | 63 Ų | 63 | 66.3 Ų | 66.3 | 25% | 0.247 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 139.4 | -178.8 | -177.1 | -106.2 | 0 | 0 | 0 | 110.3 | S41 I48 L49 I50 A129 Y133 | Y39-S41 WeakPolarHBondContact CE1-OG 3.47Å; Y39-S41 VanDerWaalsContact OH-CB 3.31Å; Y39-S41 WeakPolarHBondContact OH-CB 2.9Å; Y39-S41 PolarHBondContact OH-OG 3.32Å; Y39-I48 HydrophobicContact CD1-CG2 4.03Å; Y39-I48 HydrophobicContact CE1-CB 4.11Å; Y39-I48 HydrophobicContact CE1-CG2 3.87Å; Y39-L49 WeakPolarHBondContact O-CA 3.33Å; Y39-L49 WeakPolarHBondContact O-CD1 3.32Å; Y39-I50 PolarHBondContact N-O 3.48Å; Y39-I50 PolarHBondContact O-N 3.06Å; Y39-A129 HydrophobicContact CD1-CB 3.97Å; Y39-A129 HydrophobicContact CE1-CB 3.8Å; Y39-Y133 VanDerWaalsContact CB-CE2 3.5Å; Y39-Y133 HydrophobicContact CD2-CD2 4.4Å; Y39-Y133 AromaticContact CD2-CE2 3.53Å; Y39-Y133 HydrophobicContact CD2-CE2 3.53Å; Y39-Y133 HydrophobicContact CE2-CE2 4.4Å; Y39-Y133 HydrophobicContact CG-CD2 4.11Å; Y39-Y133 AromaticContact CG-CE2 3.66Å; Y39-Y133 HydrophobicContact CG-CE2 3.66Å |
| 40 | S | 97.8 | Very high | 96.7 | Very high | 88 Ų | 88 | 63.6 Ų | 63.6 | 62% | 0.615 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 122.3 | 169.4 | -176.5 | 0 | 0 | 0 | 0 | 108.9 | I48 | S40-I48 WeakPolarHBondContact CA-O 3.45Å |
| 41 | S | 97 | Very high | 96.9 | Very high | 36 Ų | 36 | 60.6 Ų | 60.6 | 25% | 0.252 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 173.7 | 177.7 | 77.2 | 0 | 0 | 0 | 0 | 110.2 | Y39 I48 | Y39-S41 WeakPolarHBondContact CE1-OG 3.47Å; Y39-S41 VanDerWaalsContact OH-CB 3.31Å; Y39-S41 WeakPolarHBondContact OH-CB 2.9Å; Y39-S41 PolarHBondContact OH-OG 3.32Å; S41-I48 PolarHBondContact N-O 3.35Å; S41-I48 PolarHBondContact O-N 2.69Å |
| 42 | R | 96.8 | Very high | 97 | Very high | 170 Ų | 170 | 60.5 Ų | 60.5 | 64% | 0.642 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 122.1 | 167.4 | -176.6 | 178.6 | -175.3 | 102.7 | 1.1 | 107.7 | D47 | R42-D47 WeakPolarHBondContact CB-OD1 3.45Å; R42-D47 WeakPolarHBondContact CD-OD1 3.18Å; R42-D47 VanDerWaalsContact CG-OD1 3.24Å; R42-D47 WeakPolarHBondContact CG-OD1 3.24Å; R42-D47 IonicContact CZ-OD1 3.63Å; R42-D47 IonicContact NE-OD1 3.47Å; R42-D47 VanDerWaalsContact NH1-CG 3.34Å; R42-D47 IonicContact NH1-OD1 3.38Å; R42-D47 PolarHBondContact NH1-OD1 3.06Å; R42-D47 IonicContact NH1-OD2 3.49Å; R42-D47 PolarHBondContact NH1-OD2 3.19Å |
| 43 | S | 96.2 | Very high | 97 | Very high | 23 Ų | 23 | 60.3 Ų | 60.3 | 16% | 0.161 | 29% | 0.289 | C | S | . | . | trans | -81.3 | -172.1 | 174.5 | 77.3 | 0 | 0 | 0 | 0 | 110.3 | Y45 Q46 D123 | S43-Y45 PolarHBondContact O-N 3.07Å; S43-Y45 PolarHBondContact OG-N 2.99Å; S43-Q46 PolarHBondContact N-O 3.18Å; S43-Q46 PolarHBondContact OG-N 2.81Å; S43-Q46 VanDerWaalsContact OG-N 3.11Å; S43-Q46 PolarHBondContact OG-O 3.26Å; S43-D123 VanDerWaalsContact CB-OD1 3.26Å; S43-D123 WeakPolarHBondContact CB-OD1 3.47Å; S43-D123 WeakPolarHBondContact CB-OD2 3.49Å; S43-D123 VanDerWaalsContact OG-CG 3.24Å; S43-D123 PolarHBondContact OG-OD1 3.34Å; S43-D123 PolarHBondContact OG-OD2 2.98Å | ||
| 44 | K | 93.9 | Very high | 97 | Very high | 179 Ų | 179 | 61.9 Ų | 61.9 | 78% | 0.778 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -63.5 | -22.4 | 169 | -179.7 | -178.4 | 170.1 | -161.3 | 0 | 112.3 | ||
| 45 | Y | 92.3 | Very high | 97 | Very high | 82 Ų | 82 | 63.9 Ų | 63.9 | 32% | 0.322 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -108.9 | -43 | -168.1 | -60.1 | -81.8 | 0 | 0 | 0 | 112.8 | S43 I122 D123 | S43-Y45 PolarHBondContact O-N 3.07Å; S43-Y45 PolarHBondContact OG-N 2.99Å; Y45-I122 HydrophobicContact CD1-CD1 4.04Å; Y45-I122 HydrophobicContact CD1-CG1 4.09Å; Y45-I122 HydrophobicContact CE1-CD1 3.68Å; Y45-I122 HydrophobicContact CE1-CG1 3.59Å; Y45-I122 WeakPolarHBondContact CE2-O 3.48Å; Y45-D123 HydrophobicContact CD2-CB 3.8Å; Y45-D123 HydrophobicContact CG-CB 4.29Å |
| 46 | Q | 92.8 | Very high | 97 | Very high | 8 Ų | 8 | 59 Ų | 59 | 4% | 0.037 | 29% | 0.288 | C | S | . | . | trans | -158.2 | 166.3 | -168.4 | 61.7 | -158.8 | -27.6 | 0 | 0 | 113 | S43 I48 L62 D123 | S43-Q46 PolarHBondContact N-O 3.18Å; S43-Q46 PolarHBondContact OG-N 2.81Å; S43-Q46 VanDerWaalsContact OG-N 3.11Å; S43-Q46 PolarHBondContact OG-O 3.26Å; Q46-I48 HydrophobicContact CG-CG1 4.34Å; Q46-L62 HydrophobicContact CG-CD2 4.33Å; Q46-D123 WeakPolarHBondContact CG-OD2 3.28Å; Q46-D123 PolarHBondContact NE2-OD2 3.05Å; Q46-D123 VanDerWaalsContact NE2-OD2 3.1Å | ||
| 47 | D | 95.4 | Very high | 97 | Very high | 57 Ų | 57 | 53.4 Ų | 53.4 | 31% | 0.305 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 130.9 | 168.6 | -64.3 | -39.3 | 0 | 0 | 0 | 109.8 | R42 L62 D63 | R42-D47 WeakPolarHBondContact CB-OD1 3.45Å; R42-D47 WeakPolarHBondContact CD-OD1 3.18Å; R42-D47 VanDerWaalsContact CG-OD1 3.24Å; R42-D47 WeakPolarHBondContact CG-OD1 3.24Å; R42-D47 IonicContact CZ-OD1 3.63Å; R42-D47 IonicContact NE-OD1 3.47Å; R42-D47 VanDerWaalsContact NH1-CG 3.34Å; R42-D47 IonicContact NH1-OD1 3.38Å; R42-D47 PolarHBondContact NH1-OD1 3.06Å; R42-D47 IonicContact NH1-OD2 3.49Å; R42-D47 PolarHBondContact NH1-OD2 3.19Å; D47-L62 CarbonylContact O-C 3.53Å; D47-L62 WeakPolarHBondContact O-CA 3.21Å; D47-D63 PolarHBondContact N-OD1 2.82Å; D47-D63 PolarHBondContact O-N 2.85Å |
| 48 | I | 97.3 | Very high | 97.1 | Very high | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 126.6 | 179.2 | -52.1 | 175.7 | 0 | 0 | 0 | 108.8 | Y39 S40 S41 Q46 L60 L62 A125 V126 A129 | Y39-I48 HydrophobicContact CD1-CG2 4.03Å; Y39-I48 HydrophobicContact CE1-CB 4.11Å; Y39-I48 HydrophobicContact CE1-CG2 3.87Å; S40-I48 WeakPolarHBondContact CA-O 3.45Å; S41-I48 PolarHBondContact N-O 3.35Å; S41-I48 PolarHBondContact O-N 2.69Å; Q46-I48 HydrophobicContact CG-CG1 4.34Å; I48-L60 HydrophobicContact CG2-CD1 4.24Å; I48-L62 HydrophobicContact CB-CD2 4.21Å; I48-L62 HydrophobicContact CG1-CD2 3.83Å; I48-L62 HydrophobicContact CG2-CD2 4.03Å; I48-A125 HydrophobicContact CD1-CB 3.74Å; I48-V126 HydrophobicContact CD1-CG2 3.76Å; I48-V126 HydrophobicContact CG1-CG2 4.3Å; I48-A129 HydrophobicContact CG2-CB 4.32Å |
| 49 | L | 98.2 | Very high | 97.1 | Very high | 18 Ų | 18 | 50.4 Ų | 50.4 | 9% | 0.094 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 129.8 | 175.2 | 168.3 | 70.7 | 0 | 0 | 0 | 109.3 | L4 F9 V37 Y39 F51 V61 | L4-L49 HydrophobicContact CD1-CD1 4.35Å; L4-L49 HydrophobicContact CD1-CD2 4.32Å; F9-L49 HydrophobicContact CD2-CD2 3.83Å; F9-L49 HydrophobicContact CE2-CD2 3.88Å; V37-L49 HydrophobicContact CG1-CD1 3.78Å; Y39-L49 WeakPolarHBondContact O-CA 3.33Å; Y39-L49 WeakPolarHBondContact O-CD1 3.32Å; L49-F51 HydrophobicContact CD2-CD1 3.99Å; L49-F51 HydrophobicContact CD2-CE1 4.38Å; L49-F51 HydrophobicContact CG-CD1 4.05Å; L49-V61 HydrophobicContact CB-CB 4.08Å; L49-V61 HydrophobicContact CD2-CB 4.35Å; L49-V61 HydrophobicContact CD2-CG2 4.49Å; L49-V61 HydrophobicContact CG-CB 4.42Å; L49-V61 PolarHBondContact N-O 3.49Å; L49-V61 PolarHBondContact O-N 3.06Å |
| 50 | I | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 126.5 | 167.6 | -54.1 | 177.5 | 0 | 0 | 0 | 108.4 | L38 Y39 V59 L60 A129 Y133 L134 | L38-I50 WeakPolarHBondContact CA-O 3.42Å; L38-I50 HydrophobicContact CB-CG2 4.49Å; L38-I50 WeakPolarHBondContact CB-O 3.42Å; L38-I50 HydrophobicContact CD1-CG2 4.29Å; L38-I50 PolarHBondContact N-O 3.4Å; Y39-I50 PolarHBondContact N-O 3.48Å; Y39-I50 PolarHBondContact O-N 3.06Å; I50-V59 VanDerWaalsContact CA-O 3.3Å; I50-V59 WeakPolarHBondContact CA-O 3.31Å; I50-L60 HydrophobicContact CD1-CD1 4.11Å; I50-L60 HydrophobicContact CG1-CD1 3.78Å; I50-A129 HydrophobicContact CD1-CB 3.82Å; I50-Y133 HydrophobicContact CD1-CD2 4.11Å; I50-Y133 HydrophobicContact CD1-CG 4.35Å; I50-L134 HydrophobicContact CD1-CD1 4.11Å |
| 51 | F | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 150.5 | 176.6 | 69.2 | -91.1 | 0 | 0 | 0 | 111.6 | F9 L32 V34 K36 V37 L49 K58 V59 V61 | F9-F51 HydrophobicContact CB-CE1 3.84Å; F9-F51 HydrophobicContact CB-CE2 4.3Å; F9-F51 HydrophobicContact CB-CZ 3.63Å; F9-F51 AromaticContact CD1-CE1 3.93Å; F9-F51 HydrophobicContact CD1-CE1 3.93Å; F9-F51 AromaticContact CD1-CZ 3.92Å; F9-F51 HydrophobicContact CD1-CZ 3.92Å; F9-F51 HydrophobicContact CD2-CE1 4.18Å; F9-F51 AromaticContact CG-CE1 3.69Å; F9-F51 HydrophobicContact CG-CE1 3.69Å; F9-F51 AromaticContact CG-CZ 3.85Å; F9-F51 HydrophobicContact CG-CZ 3.85Å; L32-F51 HydrophobicContact CB-CE2 4.28Å; L32-F51 HydrophobicContact CB-CZ 4.25Å; L32-F51 HydrophobicContact CD1-CZ 4.41Å; V34-F51 HydrophobicContact CB-CD2 4.23Å; V34-F51 HydrophobicContact CG1-CB 4.13Å; V34-F51 HydrophobicContact CG1-CD2 4Å; V34-F51 HydrophobicContact CG1-CG 4.29Å; V34-F51 HydrophobicContact CG2-CD2 3.76Å; V34-F51 HydrophobicContact CG2-CE2 3.82Å; V34-F51 HydrophobicContact CG2-CG 4.3Å; V34-F51 HydrophobicContact CG2-CZ 4.4Å; K36-F51 CarbonylContact O-C 3.6Å; K36-F51 WeakPolarHBondContact O-CA 3.46Å; K36-F51 WeakPolarHBondContact O-CB 3.3Å; V37-F51 HydrophobicContact CG2-CB 4.48Å; L49-F51 HydrophobicContact CD2-CD1 3.99Å; L49-F51 HydrophobicContact CD2-CE1 4.38Å; L49-F51 HydrophobicContact CG-CD1 4.05Å; F51-K58 CarbonylContact O-C 3.56Å; F51-K58 WeakPolarHBondContact O-CA 3.3Å; F51-V59 HydrophobicContact CD1-CB 4.2Å; F51-V59 HydrophobicContact CD2-CB 4.46Å; F51-V59 HydrophobicContact CD2-CG2 4.45Å; F51-V59 HydrophobicContact CE1-CB 3.77Å; F51-V59 HydrophobicContact CE1-CG1 3.82Å; F51-V59 HydrophobicContact CE1-CG2 4.41Å; F51-V59 HydrophobicContact CE2-CB 4.06Å; F51-V59 HydrophobicContact CE2-CG2 3.84Å; F51-V59 HydrophobicContact CZ-CB 3.69Å; F51-V59 HydrophobicContact CZ-CG1 3.84Å; F51-V59 HydrophobicContact CZ-CG2 3.82Å; F51-V59 PolarHBondContact N-O 2.75Å; F51-V59 PolarHBondContact O-N 3.24Å; F51-V61 HydrophobicContact CD1-CG2 4.39Å; F51-V61 HydrophobicContact CE1-CG2 3.77Å |
| 52 | Q | 98.5 | Very high | 97 | Very high | 46 Ų | 46 | 42.3 Ų | 42.3 | 22% | 0.215 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 120.4 | 166.2 | -180 | 63.1 | 52.6 | 0 | 0 | 108.3 | E35 K36 L38 G57 | E35-Q52 HydrophobicContact CB-CB 4.42Å; E35-Q52 HydrophobicContact CB-CG 4.06Å; E35-Q52 WeakPolarHBondContact CB-O 3.18Å; E35-Q52 HydrophobicContact CG-CG 4.47Å; E35-Q52 PolarHBondContact N-O 3.11Å; E35-Q52 WeakPolarHBondContact OE2-CG 3.48Å; K36-Q52 HydrophobicContact CB-CB 4.48Å; K36-Q52 PolarHBondContact N-O 3.22Å; K36-Q52 PolarHBondContact O-N 2.97Å; L38-Q52 HydrophobicContact CD1-CB 4.32Å; L38-Q52 HydrophobicContact CG-CB 4.45Å; Q52-G57 PolarHBondContact NE2-O 2.92Å |
| 53 | S | 98.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.007 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 157.9 | 171.5 | 71.8 | 0 | 0 | 0 | 0 | 111.2 | K33 S55 Y56 G57 | K33-S53 VanDerWaalsContact O-CA 3.29Å; K33-S53 WeakPolarHBondContact O-CA 3.32Å; S53-S55 PolarHBondContact O-N 2.85Å; S53-Y56 VanDerWaalsContact OG-C 3.29Å; S53-Y56 WeakPolarHBondContact OG-CA 3.31Å; S53-Y56 VanDerWaalsContact OG-CB 3.3Å; S53-Y56 WeakPolarHBondContact OG-CB 3.5Å; S53-Y56 PolarHBondContact OG-N 3.02Å; S53-G57 WeakPolarHBondContact CB-O 3.44Å; S53-G57 PolarHBondContact N-O 3.28Å; S53-G57 PolarHBondContact OG-N 2.99Å; S53-G57 VanDerWaalsContact OG-N 3.17Å; S53-G57 PolarHBondContact OG-O 3.02Å |
| 54 | E | 98.1 | Very high | 96.6 | Very high | 120 Ų | 120 | 36.2 Ų | 36.2 | 56% | 0.561 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -63 | -29.3 | 177.9 | -173.8 | 174.8 | 78.8 | 0 | 0 | 112.7 | K33 | K33-E54 HydrophobicContact CB-CB 4.14Å; K33-E54 WeakPolarHBondContact CD-OE2 3.29Å; K33-E54 WeakPolarHBondContact CE-OE2 3.33Å; K33-E54 IonicContact NZ-OE1 2.76Å; K33-E54 IonicContact NZ-OE2 3.85Å; K33-E54 PolarHBondContact NZ-OE2 2.74Å; K33-E54 PolarHBondContact O-N 2.87Å |
| 55 | S | 97.2 | Very high | 96.5 | Very high | 66 Ų | 66 | 28.9 Ų | 28.9 | 46% | 0.462 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -142.3 | -4.1 | -168.4 | 70.9 | 0 | 0 | 0 | 0 | 116.8 | S53 R71 | S53-S55 PolarHBondContact O-N 2.85Å; S55-R71 WeakPolarHBondContact O-CD 3.48Å; S55-R71 PolarHBondContact O-NH1 3.23Å |
| 56 | Y | 97.9 | Very high | 96.7 | Very high | 35 Ų | 35 | 25.2 Ų | 25.2 | 14% | 0.137 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -114.5 | 6.9 | 179.7 | -84.4 | -98.2 | 0 | 0 | 0 | 112.9 | L32 S53 T69 E70 R71 T237 | L32-Y56 HydrophobicContact CD2-CD2 3.45Å; L32-Y56 VanDerWaalsContact CD2-CD2 3.45Å; L32-Y56 HydrophobicContact CD2-CE2 3.8Å; L32-Y56 HydrophobicContact CD2-CG 4.06Å; S53-Y56 VanDerWaalsContact OG-C 3.29Å; S53-Y56 WeakPolarHBondContact OG-CA 3.31Å; S53-Y56 VanDerWaalsContact OG-CB 3.3Å; S53-Y56 WeakPolarHBondContact OG-CB 3.5Å; S53-Y56 PolarHBondContact OG-N 3.02Å; Y56-T69 HydrophobicContact CD1-CG2 4.26Å; Y56-T69 WeakPolarHBondContact CD1-OG1 3.13Å; Y56-E70 PolarHBondContact O-N 2.82Å; Y56-R71 HydrophobicContact CD1-CB 3.75Å; Y56-R71 HydrophobicContact CD1-CG 3.97Å; Y56-R71 HydrophobicContact CE1-CB 4.49Å; Y56-R71 HydrophobicContact CE1-CG 4.25Å; Y56-R71 HydrophobicContact CG-CB 4.22Å; Y56-R71 WeakPolarHBondContact O-CB 3.46Å; Y56-R71 PolarHBondContact O-N 2.92Å; Y56-R71 VanDerWaalsContact O-N 3.13Å; Y56-T237 HydrophobicContact CD1-CG2 3.35Å; Y56-T237 HydrophobicContact CE1-CG2 3.24Å; Y56-T237 HydrophobicContact CG-CG2 4.15Å |
| 57 | G | 98.4 | Very high | 96.9 | Very high | 17 Ų | 17 | 26.5 Ų | 26.5 | 18% | 0.175 | 14% | 0.142 | C | C | . | . | trans | 71.2 | -151 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q52 S53 | Q52-G57 PolarHBondContact NE2-O 2.92Å; S53-G57 WeakPolarHBondContact CB-O 3.44Å; S53-G57 PolarHBondContact N-O 3.28Å; S53-G57 PolarHBondContact OG-N 2.99Å; S53-G57 VanDerWaalsContact OG-N 3.17Å; S53-G57 PolarHBondContact OG-O 3.02Å | ||
| 58 | K | 98.7 | Very high | 97 | Very high | 47 Ų | 47 | 24 Ų | 24 | 20% | 0.204 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 143.7 | 174.6 | -58.7 | -179.2 | -153.6 | 82.6 | 0 | 111.2 | L38 F51 T69 E70 Y133 L134 | L38-K58 HydrophobicContact CD1-CD 3.65Å; L38-K58 HydrophobicContact CD1-CG 3.82Å; F51-K58 CarbonylContact O-C 3.56Å; F51-K58 WeakPolarHBondContact O-CA 3.3Å; K58-T69 WeakPolarHBondContact O-CA 3.42Å; K58-E70 HydrophobicContact CB-CG 4.11Å; K58-E70 WeakPolarHBondContact CG-OE2 3.46Å; K58-E70 PolarHBondContact N-OE2 3.01Å; K58-E70 IonicContact NZ-OE1 3.68Å; K58-E70 PolarHBondContact NZ-OE1 2.84Å; K58-E70 IonicContact NZ-OE2 2.71Å; K58-E70 PolarHBondContact NZ-OE2 3.03Å; K58-E70 PolarHBondContact O-N 3.15Å; K58-Y133 WeakPolarHBondContact CD-O 3.43Å; K58-Y133 WeakPolarHBondContact CE-O 3.2Å; K58-L134 HydrophobicContact CB-CD2 3.47Å; K58-L134 VanDerWaalsContact CB-CD2 3.47Å; K58-L134 HydrophobicContact CD-CD2 4.14Å; K58-L134 HydrophobicContact CG-CD2 4.46Å |
| 59 | V | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 127.1 | -175.5 | -176.4 | 0 | 0 | 0 | 0 | 108.7 | L32 I50 F51 V61 I66 C68 T69 | L32-V59 HydrophobicContact CD1-CG1 4.42Å; L32-V59 HydrophobicContact CD1-CG2 3.84Å; I50-V59 VanDerWaalsContact CA-O 3.3Å; I50-V59 WeakPolarHBondContact CA-O 3.31Å; F51-V59 HydrophobicContact CD1-CB 4.2Å; F51-V59 HydrophobicContact CD2-CB 4.46Å; F51-V59 HydrophobicContact CD2-CG2 4.45Å; F51-V59 HydrophobicContact CE1-CB 3.77Å; F51-V59 HydrophobicContact CE1-CG1 3.82Å; F51-V59 HydrophobicContact CE1-CG2 4.41Å; F51-V59 HydrophobicContact CE2-CB 4.06Å; F51-V59 HydrophobicContact CE2-CG2 3.84Å; F51-V59 HydrophobicContact CZ-CB 3.69Å; F51-V59 HydrophobicContact CZ-CG1 3.84Å; F51-V59 HydrophobicContact CZ-CG2 3.82Å; F51-V59 PolarHBondContact N-O 2.75Å; F51-V59 PolarHBondContact O-N 3.24Å; V59-V61 HydrophobicContact CG1-CG2 3.82Å; V59-I66 HydrophobicContact CG1-CG1 4.32Å; V59-I66 HydrophobicContact CG1-CG2 4.02Å; V59-C68 WeakPolarHBondContact CA-O 3.04Å; V59-T69 HydrophobicContact CG1-CG2 4.17Å; V59-T69 HydrophobicContact CG2-CG2 4.05Å |
| 60 | L | 98.6 | Very high | 97.1 | Very high | 3 Ų | 3 | 25.5 Ų | 25.5 | 2% | 0.016 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 131.7 | 167.9 | 177.6 | 62.1 | 0 | 0 | 0 | 109.3 | I48 I50 L62 Q67 C68 D101 V126 L134 | I48-L60 HydrophobicContact CG2-CD1 4.24Å; I50-L60 HydrophobicContact CD1-CD1 4.11Å; I50-L60 HydrophobicContact CG1-CD1 3.78Å; L60-L62 HydrophobicContact CD1-CD2 4.18Å; L60-Q67 HydrophobicContact CB-CB 4.4Å; L60-Q67 HydrophobicContact CD2-CB 4.05Å; L60-Q67 HydrophobicContact CG-CB 4.07Å; L60-Q67 HydrophobicContact CG-CG 4.38Å; L60-Q67 PolarHBondContact O-N 2.76Å; L60-C68 PolarHBondContact N-O 3Å; L60-D101 HydrophobicContact CD2-CB 4.23Å; L60-V126 HydrophobicContact CD2-CG1 4.41Å; L60-L134 HydrophobicContact CB-CD1 3.86Å |
| 61 | V | 97.3 | Very high | 97.1 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 127.8 | 178.3 | 178.8 | 0 | 0 | 0 | 0 | 109.3 | F9 L49 F51 V59 G64 I65 I66 | F9-V61 HydrophobicContact CE1-CG1 4.33Å; F9-V61 HydrophobicContact CE1-CG2 3.99Å; F9-V61 HydrophobicContact CE2-CG1 3.86Å; F9-V61 HydrophobicContact CE2-CG2 4.3Å; F9-V61 HydrophobicContact CZ-CB 4.3Å; F9-V61 HydrophobicContact CZ-CG1 3.46Å; F9-V61 VanDerWaalsContact CZ-CG1 3.46Å; F9-V61 HydrophobicContact CZ-CG2 3.85Å; L49-V61 HydrophobicContact CB-CB 4.08Å; L49-V61 HydrophobicContact CD2-CB 4.35Å; L49-V61 HydrophobicContact CD2-CG2 4.49Å; L49-V61 HydrophobicContact CG-CB 4.42Å; L49-V61 PolarHBondContact N-O 3.49Å; L49-V61 PolarHBondContact O-N 3.06Å; F51-V61 HydrophobicContact CD1-CG2 4.39Å; F51-V61 HydrophobicContact CE1-CG2 3.77Å; V59-V61 HydrophobicContact CG1-CG2 3.82Å; V61-G64 VanDerWaalsContact CG1-C 3.46Å; V61-I65 VanDerWaalsContact CA-O 3.31Å; V61-I65 WeakPolarHBondContact CA-O 3.29Å; V61-I65 WeakPolarHBondContact CG1-O 3.27Å; V61-I66 HydrophobicContact CG2-CG1 4.25Å |
| 62 | L | 94.8 | Very high | 97.1 | Very high | 13 Ų | 13 | 32.2 Ų | 32.2 | 7% | 0.068 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 128.2 | 176 | -60.4 | -178.9 | 0 | 0 | 0 | 109.6 | Q46 D47 I48 L60 G64 I65 Q67 V126 T172 | Q46-L62 HydrophobicContact CG-CD2 4.33Å; D47-L62 CarbonylContact O-C 3.53Å; D47-L62 WeakPolarHBondContact O-CA 3.21Å; I48-L62 HydrophobicContact CB-CD2 4.21Å; I48-L62 HydrophobicContact CG1-CD2 3.83Å; I48-L62 HydrophobicContact CG2-CD2 4.03Å; L60-L62 HydrophobicContact CD1-CD2 4.18Å; L62-G64 PolarHBondContact O-N 2.97Å; L62-I65 PolarHBondContact N-O 3.32Å; L62-I65 WeakPolarHBondContact O-CB 3.39Å; L62-I65 PolarHBondContact O-N 3.5Å; L62-Q67 HydrophobicContact CB-CG 3.79Å; L62-Q67 HydrophobicContact CD1-CG 3.68Å; L62-Q67 HydrophobicContact CG-CG 3.52Å; L62-V126 HydrophobicContact CD1-CG2 4.28Å; L62-V126 HydrophobicContact CD2-CG2 3.92Å; L62-T172 HydrophobicContact CD1-CG2 4.27Å |
| 63 | D | 92.2 | Very high | 97 | Very high | 55 Ų | 55 | 30.6 Ų | 30.6 | 29% | 0.294 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.5 | 26.9 | -172.5 | -76.7 | -23.1 | 0 | 0 | 0 | 114.1 | K3 D47 | K3-D63 PolarHBondContact NZ-O 3.09Å; D47-D63 PolarHBondContact N-OD1 2.82Å; D47-D63 PolarHBondContact O-N 2.85Å |
| 64 | G | 92.2 | Very high | 97 | Very high | 10 Ų | 10 | 32.4 Ų | 32.4 | 10% | 0.103 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | 18.6 | -179 | 0 | 0 | 0 | 0 | 0 | 114.9 | K3 V61 L62 | K3-G64 PolarHBondContact NZ-O 3.11Å; V61-G64 VanDerWaalsContact CG1-C 3.46Å; L62-G64 PolarHBondContact O-N 2.97Å |
| 65 | I | 93.6 | Very high | 97.1 | Very high | 26 Ų | 26 | 26.9 Ų | 26.9 | 13% | 0.133 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 132.3 | 170.2 | -57.3 | -52.6 | 0 | 0 | 0 | 108.3 | E11 P14 W25 V61 L62 Q67 | E11-I65 HydrophobicContact CG-CD1 4.29Å; E11-I65 VanDerWaalsContact OE1-CA 3.31Å; E11-I65 WeakPolarHBondContact OE1-CA 3.28Å; E11-I65 WeakPolarHBondContact OE1-CG2 3.19Å; P14-I65 HydrophobicContact CG-CD1 4.27Å; W25-I65 HydrophobicContact CH2-CD1 3.92Å; W25-I65 HydrophobicContact CZ2-CD1 4.03Å; V61-I65 VanDerWaalsContact CA-O 3.31Å; V61-I65 WeakPolarHBondContact CA-O 3.29Å; V61-I65 WeakPolarHBondContact CG1-O 3.27Å; L62-I65 PolarHBondContact N-O 3.32Å; L62-I65 WeakPolarHBondContact O-CB 3.39Å; L62-I65 PolarHBondContact O-N 3.5Å; I65-Q67 PolarHBondContact O-N 2.89Å; I65-Q67 PolarHBondContact O-NE2 2.91Å; I65-Q67 VanDerWaalsContact O-NE2 3.11Å |
| 66 | I | 96 | Very high | 97.1 | Very high | 4 Ų | 4 | 24.1 Ų | 24.1 | 2% | 0.021 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 121.5 | -179.9 | -64.9 | 177.4 | 0 | 0 | 0 | 108.4 | F9 E11 F30 L32 V59 V61 T69 | F9-I66 HydrophobicContact CD1-CD1 4.42Å; F9-I66 HydrophobicContact CD1-CG1 4.45Å; F9-I66 HydrophobicContact CE1-CD1 4.09Å; F9-I66 HydrophobicContact CE1-CG1 3.73Å; E11-I66 HydrophobicContact CB-CD1 4.35Å; E11-I66 HydrophobicContact CB-CG1 4.34Å; E11-I66 PolarHBondContact OE1-N 3.1Å; F30-I66 HydrophobicContact CD1-CD1 3.84Å; F30-I66 HydrophobicContact CE1-CD1 4.19Å; L32-I66 HydrophobicContact CD1-CD1 4.04Å; V59-I66 HydrophobicContact CG1-CG1 4.32Å; V59-I66 HydrophobicContact CG1-CG2 4.02Å; V61-I66 HydrophobicContact CG2-CG1 4.25Å; I66-T69 HydrophobicContact CG2-CG2 4.13Å |
| 67 | Q | 97 | Very high | 97.1 | Very high | 35 Ų | 35 | 22.6 Ų | 22.6 | 16% | 0.164 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | -42.9 | 177.1 | -58.5 | -52.8 | -58.6 | 0 | 0 | 111.5 | L60 L62 I65 Y238 | L60-Q67 HydrophobicContact CB-CB 4.4Å; L60-Q67 HydrophobicContact CD2-CB 4.05Å; L60-Q67 HydrophobicContact CG-CB 4.07Å; L60-Q67 HydrophobicContact CG-CG 4.38Å; L60-Q67 PolarHBondContact O-N 2.76Å; L62-Q67 HydrophobicContact CB-CG 3.79Å; L62-Q67 HydrophobicContact CD1-CG 3.68Å; L62-Q67 HydrophobicContact CG-CG 3.52Å; I65-Q67 PolarHBondContact O-N 2.89Å; I65-Q67 PolarHBondContact O-NE2 2.91Å; I65-Q67 VanDerWaalsContact O-NE2 3.11Å; Q67-Y238 WeakPolarHBondContact O-CE1 3.44Å; Q67-Y238 PolarHBondContact O-OH 2.86Å |
| 68 | C | 98 | Very high | 97.2 | Very high | 4 Ų | 4 | 21.8 Ų | 21.8 | 3% | 0.027 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 161.1 | 176.8 | 64.6 | 0 | 0 | 0 | 0 | 111.9 | V59 L60 E73 M137 | V59-C68 WeakPolarHBondContact CA-O 3.04Å; L60-C68 PolarHBondContact N-O 3Å; C68-E73 HydrophobicContact CB-CB 4.09Å; C68-M137 HydrophobicContact CB-SD 4.46Å; C68-M137 VanDerWaalsContact SG-CE 3.59Å |
| 69 | T | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 147.1 | 169.3 | 88.6 | 0 | 0 | 0 | 0 | 110.8 | Y56 K58 V59 I66 R71 D72 E73 T237 | Y56-T69 HydrophobicContact CD1-CG2 4.26Å; Y56-T69 WeakPolarHBondContact CD1-OG1 3.13Å; K58-T69 WeakPolarHBondContact O-CA 3.42Å; V59-T69 HydrophobicContact CG1-CG2 4.17Å; V59-T69 HydrophobicContact CG2-CG2 4.05Å; I66-T69 HydrophobicContact CG2-CG2 4.13Å; T69-R71 PolarHBondContact O-N 3.44Å; T69-R71 PolarHBondContact OG1-N 3.06Å; T69-D72 PolarHBondContact O-N 2.86Å; T69-D72 PolarHBondContact OG1-N 2.81Å; T69-D72 PolarHBondContact OG1-OD1 3.25Å; T69-E73 WeakPolarHBondContact O-CB 3.34Å; T69-E73 VanDerWaalsContact O-CG 3.24Å; T69-E73 WeakPolarHBondContact O-CG 3.43Å; T69-E73 PolarHBondContact O-N 3.16Å; T69-T237 HydrophobicContact CG2-CG2 3.57Å |
| 70 | E | 98.3 | Very high | 97.1 | Very high | 52 Ų | 52 | 19.6 Ų | 19.6 | 24% | 0.243 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -22.9 | 176.4 | -73.4 | -179 | 139.5 | 0 | 0 | 113.2 | Y56 K58 L134 | Y56-E70 PolarHBondContact O-N 2.82Å; K58-E70 HydrophobicContact CB-CG 4.11Å; K58-E70 WeakPolarHBondContact CG-OE2 3.46Å; K58-E70 PolarHBondContact N-OE2 3.01Å; K58-E70 IonicContact NZ-OE1 3.68Å; K58-E70 PolarHBondContact NZ-OE1 2.84Å; K58-E70 IonicContact NZ-OE2 2.71Å; K58-E70 PolarHBondContact NZ-OE2 3.03Å; K58-E70 PolarHBondContact O-N 3.15Å; E70-L134 HydrophobicContact CG-CD2 4.26Å |
| 71 | R | 97.9 | Very high | 97.1 | Very high | 135 Ų | 135 | 19.4 Ų | 19.4 | 51% | 0.509 | 9% | 0.091 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -36 | -178 | 174 | 167.4 | 178.9 | 177.1 | -1.8 | 113.4 | S55 Y56 T69 F74 | S55-R71 WeakPolarHBondContact O-CD 3.48Å; S55-R71 PolarHBondContact O-NH1 3.23Å; Y56-R71 HydrophobicContact CD1-CB 3.75Å; Y56-R71 HydrophobicContact CD1-CG 3.97Å; Y56-R71 HydrophobicContact CE1-CB 4.49Å; Y56-R71 HydrophobicContact CE1-CG 4.25Å; Y56-R71 HydrophobicContact CG-CB 4.22Å; Y56-R71 WeakPolarHBondContact O-CB 3.46Å; Y56-R71 PolarHBondContact O-N 2.92Å; Y56-R71 VanDerWaalsContact O-N 3.13Å; T69-R71 PolarHBondContact O-N 3.44Å; T69-R71 PolarHBondContact OG1-N 3.06Å; R71-F74 VanDerWaalsContact O-CE1 3.27Å; R71-F74 WeakPolarHBondContact O-CE1 3.46Å |
| 72 | D | 98.1 | Very high | 97.2 | Very high | 7 Ų | 7 | 19.4 Ų | 19.4 | 4% | 0.037 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -132.9 | -3 | -170.3 | 63.7 | -1.6 | 0 | 0 | 0 | 115.6 | T69 F74 S75 P236 T237 | T69-D72 PolarHBondContact O-N 2.86Å; T69-D72 PolarHBondContact OG1-N 2.81Å; T69-D72 PolarHBondContact OG1-OD1 3.25Å; D72-F74 PolarHBondContact O-N 3.38Å; D72-S75 PolarHBondContact O-N 3.06Å; D72-S75 PolarHBondContact O-OG 3.5Å; D72-P236 WeakPolarHBondContact OD2-CD 3.38Å; D72-T237 PolarHBondContact OD1-OG1 2.94Å; D72-T237 WeakPolarHBondContact OD2-CG2 3.23Å; D72-T237 PolarHBondContact OD2-N 3.45Å; D72-T237 VanDerWaalsContact OD2-N 3.12Å; D72-T237 PolarHBondContact OD2-OG1 3.17Å |
| 73 | E | 98.1 | Very high | 97.4 | Very high | 12 Ų | 12 | 18.8 Ų | 18.8 | 6% | 0.056 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -49 | -35.7 | 177.6 | 58.7 | 86.6 | -168.7 | 0 | 0 | 113.5 | C68 T69 S75 Y76 Q77 R106 M137 R270 | C68-E73 HydrophobicContact CB-CB 4.09Å; T69-E73 WeakPolarHBondContact O-CB 3.34Å; T69-E73 VanDerWaalsContact O-CG 3.24Å; T69-E73 WeakPolarHBondContact O-CG 3.43Å; T69-E73 PolarHBondContact O-N 3.16Å; E73-S75 PolarHBondContact O-N 3.37Å; E73-S75 VanDerWaalsContact O-N 3.16Å; E73-Y76 PolarHBondContact O-N 3.15Å; E73-Y76 VanDerWaalsContact O-N 3.14Å; E73-Q77 HydrophobicContact CB-CG 4.44Å; E73-Q77 WeakPolarHBondContact O-CG 3.31Å; E73-Q77 PolarHBondContact O-N 2.94Å; E73-Q77 VanDerWaalsContact OE2-CG 3.26Å; E73-Q77 WeakPolarHBondContact OE2-CG 3.21Å; E73-R106 IonicContact OE1-CZ 2.67Å; E73-R106 IonicContact OE1-NH1 3.1Å; E73-R106 PolarHBondContact OE1-NH1 2.86Å; E73-R106 IonicContact OE1-NH2 3.45Å; E73-R106 PolarHBondContact OE1-NH2 3.41Å; E73-R106 VanDerWaalsContact OE1-NH2 3.1Å; E73-R106 IonicContact OE2-CZ 2.92Å; E73-R106 IonicContact OE2-NH1 2.8Å; E73-R106 PolarHBondContact OE2-NH1 3.46Å; E73-R106 IonicContact OE2-NH2 3.56Å; E73-R106 PolarHBondContact OE2-NH2 2.87Å; E73-M137 HydrophobicContact CB-SD 3.98Å; E73-M137 HydrophobicContact CG-CG 4.4Å; E73-M137 HydrophobicContact CG-SD 3.7Å; E73-R270 IonicContact OE1-NH2 3.48Å |
| 74 | F | 98.3 | Very high | 97.7 | Very high | 39 Ų | 39 | 16.1 Ų | 16.1 | 17% | 0.171 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -60.9 | -29.8 | -176.3 | 70.7 | -87.8 | 0 | 0 | 0 | 113.8 | R71 D72 E78 R270 Y271 | R71-F74 VanDerWaalsContact O-CE1 3.27Å; R71-F74 WeakPolarHBondContact O-CE1 3.46Å; D72-F74 PolarHBondContact O-N 3.38Å; F74-E78 WeakPolarHBondContact O-CB 3.25Å; F74-E78 WeakPolarHBondContact O-CG 3.16Å; F74-E78 PolarHBondContact O-N 3.48Å; F74-R270 HydrophobicContact CD2-CB 3.53Å; F74-R270 HydrophobicContact CE2-CB 3.59Å; F74-R270 HydrophobicContact CG-CB 4.37Å; F74-R270 VanDerWaalsContact CG-CZ 3.41Å; F74-R270 VanDerWaalsContact CG-NH2 3.3Å; F74-R270 HydrophobicContact CZ-CB 4.46Å; F74-Y271 HydrophobicContact CE2-CD2 4.39Å |
| 75 | S | 98.5 | Very high | 98 | Very high | 4 Ų | 4 | 15.7 Ų | 15.7 | 3% | 0.028 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -66.3 | -46.3 | 178.5 | 62.4 | 0 | 0 | 0 | 0 | 110.3 | D72 E73 M79 T233 L234 | D72-S75 PolarHBondContact O-N 3.06Å; D72-S75 PolarHBondContact O-OG 3.5Å; E73-S75 PolarHBondContact O-N 3.37Å; E73-S75 VanDerWaalsContact O-N 3.16Å; S75-M79 WeakPolarHBondContact O-CB 3.41Å; S75-M79 WeakPolarHBondContact O-CG 3.35Å; S75-M79 PolarHBondContact O-N 3.4Å; S75-T233 WeakPolarHBondContact O-CG2 3.46Å; S75-L234 VanDerWaalsContact CB-O 3.29Å; S75-L234 WeakPolarHBondContact CB-O 3.32Å; S75-L234 PolarHBondContact OG-O 3.13Å |
| 76 | Y | 98.6 | Very high | 98.3 | Very high | 7 Ų | 7 | 14.5 Ų | 14.5 | 3% | 0.027 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -64.6 | -54.3 | 175.6 | 179.3 | -96.5 | 0 | 0 | 0 | 111.6 | E73 E78 M79 M80 D170 Y238 I243 H245 | E73-Y76 PolarHBondContact O-N 3.15Å; E73-Y76 VanDerWaalsContact O-N 3.14Å; Y76-E78 PolarHBondContact O-N 3.06Å; Y76-M79 PolarHBondContact O-N 3.12Å; Y76-M80 HydrophobicContact CE1-CE 4.22Å; Y76-M80 HydrophobicContact CE2-CE 3.82Å; Y76-M80 VanDerWaalsContact CZ-CE 3.44Å; Y76-M80 VanDerWaalsContact O-CB 3.31Å; Y76-M80 WeakPolarHBondContact O-CB 3.46Å; Y76-M80 PolarHBondContact O-N 3.34Å; Y76-M80 WeakPolarHBondContact OH-CE 3.14Å; Y76-D170 WeakPolarHBondContact CE1-OD1 3.31Å; Y76-D170 VanDerWaalsContact CZ-OD1 3.31Å; Y76-D170 PolarHBondContact OH-OD1 3.34Å; Y76-Y238 AromaticContact CD2-CE2 3.88Å; Y76-Y238 HydrophobicContact CD2-CE2 3.88Å; Y76-Y238 HydrophobicContact CE2-CE2 4.23Å; Y76-Y238 HydrophobicContact CG-CE2 4.35Å; Y76-I243 HydrophobicContact CD2-CD1 4.49Å; Y76-I243 HydrophobicContact CD2-CG2 3.82Å; Y76-I243 HydrophobicContact CE2-CD1 4.03Å; Y76-I243 HydrophobicContact CE2-CG2 4.26Å; Y76-H245 AromaticContact CD2-CE1 3.68Å; Y76-H245 AromaticContact CE2-CE1 3.6Å |
| 77 | Q | 98.5 | Very high | 98.4 | Very high | 3 Ų | 3 | 14.4 Ų | 14.4 | 1% | 0.014 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -64.3 | -40 | -174.1 | -58.1 | -57.4 | 22.8 | 0 | 0 | 112.1 | E73 A81 D101 E107 | E73-Q77 HydrophobicContact CB-CG 4.44Å; E73-Q77 WeakPolarHBondContact O-CG 3.31Å; E73-Q77 PolarHBondContact O-N 2.94Å; E73-Q77 VanDerWaalsContact OE2-CG 3.26Å; E73-Q77 WeakPolarHBondContact OE2-CG 3.21Å; Q77-A81 WeakPolarHBondContact O-CB 3.24Å; Q77-A81 PolarHBondContact O-N 3.03Å; Q77-D101 PolarHBondContact NE2-OD1 3.2Å; Q77-D101 PolarHBondContact NE2-OD2 3.22Å; Q77-E107 HydrophobicContact CB-CG 3.9Å |
| 78 | E | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 13.2 Ų | 13.2 | 1% | 0.005 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -66 | -42.2 | 176.5 | -71.1 | 178.9 | -160 | 0 | 0 | 111.5 | F74 Y76 N82 E107 L269 R270 Y271 Y272 | F74-E78 WeakPolarHBondContact O-CB 3.25Å; F74-E78 WeakPolarHBondContact O-CG 3.16Å; F74-E78 PolarHBondContact O-N 3.48Å; Y76-E78 PolarHBondContact O-N 3.06Å; E78-N82 WeakPolarHBondContact O-CA 3.31Å; E78-N82 WeakPolarHBondContact O-CB 3.4Å; E78-N82 PolarHBondContact O-N 2.87Å; E78-N82 PolarHBondContact O-ND2 3.34Å; E78-E107 HydrophobicContact CG-CG 4.21Å; E78-E107 WeakPolarHBondContact CG-OE2 3.44Å; E78-L269 HydrophobicContact CG-CD2 4.26Å; E78-L269 WeakPolarHBondContact OE2-CB 3.31Å; E78-R270 VanDerWaalsContact CD-N 3.31Å; E78-R270 PolarHBondContact OE1-N 2.92Å; E78-R270 PolarHBondContact OE2-N 3.42Å; E78-Y271 WeakPolarHBondContact OE2-CA 3.44Å; E78-Y271 WeakPolarHBondContact OE2-CB 3.49Å; E78-Y271 PolarHBondContact OE2-N 2.61Å; E78-Y272 PolarHBondContact OE2-N 2.97Å |
| 79 | M | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -69.6 | -43.4 | -179.3 | -70.6 | -68.4 | -75.7 | 0 | 0 | 111.9 | S75 Y76 A81 I83 M201 T233 Y271 Y272 V276 A280 | S75-M79 WeakPolarHBondContact O-CB 3.41Å; S75-M79 WeakPolarHBondContact O-CG 3.35Å; S75-M79 PolarHBondContact O-N 3.4Å; Y76-M79 PolarHBondContact O-N 3.12Å; M79-A81 VanDerWaalsContact C-N 3.34Å; M79-A81 PolarHBondContact O-N 2.87Å; M79-I83 HydrophobicContact CE-CD1 3.58Å; M79-I83 HydrophobicContact CE-CG1 4.39Å; M79-I83 WeakPolarHBondContact O-CB 3.08Å; M79-I83 WeakPolarHBondContact O-CG1 3.07Å; M79-I83 PolarHBondContact O-N 2.67Å; M79-I83 HydrophobicContact SD-CD1 4.35Å; M79-M201 WeakPolarHBondContact O-CE 3.26Å; M79-T233 HydrophobicContact CB-CG2 4.03Å; M79-T233 VanDerWaalsContact CB-OG1 3.24Å; M79-T233 WeakPolarHBondContact CB-OG1 3.49Å; M79-T233 HydrophobicContact CG-CG2 3.63Å; M79-T233 WeakPolarHBondContact CG-OG1 3.38Å; M79-Y271 HydrophobicContact CE-CE1 4.35Å; M79-Y271 HydrophobicContact CG-CD1 3.55Å; M79-Y271 HydrophobicContact CG-CE1 3.6Å; M79-Y271 HydrophobicContact SD-CD1 3.8Å; M79-Y271 HydrophobicContact SD-CE1 3.8Å; M79-Y272 HydrophobicContact SD-CD2 3.77Å; M79-V276 HydrophobicContact CE-CG1 4.12Å; M79-V276 HydrophobicContact SD-CG1 3.84Å; M79-A280 HydrophobicContact CE-CB 3.53Å |
| 80 | M | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60.5 | -42.2 | 177.8 | -171.1 | 65.3 | 88.5 | 0 | 0 | 111.6 | Y76 P84 V104 I168 M201 Q203 H245 | Y76-M80 HydrophobicContact CE1-CE 4.22Å; Y76-M80 HydrophobicContact CE2-CE 3.82Å; Y76-M80 VanDerWaalsContact CZ-CE 3.44Å; Y76-M80 VanDerWaalsContact O-CB 3.31Å; Y76-M80 WeakPolarHBondContact O-CB 3.46Å; Y76-M80 PolarHBondContact O-N 3.34Å; Y76-M80 WeakPolarHBondContact OH-CE 3.14Å; M80-P84 VanDerWaalsContact O-CD 3.24Å; M80-P84 WeakPolarHBondContact O-CD 3.43Å; M80-P84 VanDerWaalsContact O-CG 3.29Å; M80-P84 WeakPolarHBondContact O-CG 3.48Å; M80-V104 HydrophobicContact CB-CG2 4.31Å; M80-V104 HydrophobicContact CG-CG2 4.02Å; M80-I168 HydrophobicContact CG-CG2 3.43Å; M80-I168 VanDerWaalsContact CG-CG2 3.43Å; M80-I168 HydrophobicContact SD-CG2 3.78Å; M80-M201 HydrophobicContact CG-CG 4.46Å; M80-M201 HydrophobicContact SD-CB 4.26Å; M80-M201 HydrophobicContact SD-CE 4.43Å; M80-M201 HydrophobicContact SD-CG 3.32Å; M80-M201 WeakPolarHBondContact SD-CG 3.33Å; M80-Q203 HydrophobicContact CE-CB 3.98Å; M80-H245 VanDerWaalsContact CE-ND1 3.27Å; M80-H245 WeakPolarHBondContact CE-ND1 3.47Å |
| 81 | A | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -77.8 | -51.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q77 M79 P84 L85 V104 E107 V108 | Q77-A81 WeakPolarHBondContact O-CB 3.24Å; Q77-A81 PolarHBondContact O-N 3.03Å; M79-A81 VanDerWaalsContact C-N 3.34Å; M79-A81 PolarHBondContact O-N 2.87Å; A81-P84 WeakPolarHBondContact O-CD 3.36Å; A81-P84 WeakPolarHBondContact O-CG 3.49Å; A81-L85 HydrophobicContact CB-CD1 4.39Å; A81-L85 WeakPolarHBondContact O-CB 3.34Å; A81-L85 VanDerWaalsContact O-CD1 3.26Å; A81-L85 WeakPolarHBondContact O-CD1 3.37Å; A81-L85 WeakPolarHBondContact O-CG 3.24Å; A81-L85 PolarHBondContact O-N 2.8Å; A81-V104 HydrophobicContact CB-CG1 4.33Å; A81-E107 HydrophobicContact CB-CB 3.54Å; A81-V108 HydrophobicContact CB-CG2 3.91Å |
| 82 | N | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -80.1 | -30.3 | -163.2 | -71.8 | -81.2 | 0 | 0 | 0 | 113.8 | E78 L85 H86 H111 L269 Y272 | E78-N82 WeakPolarHBondContact O-CA 3.31Å; E78-N82 WeakPolarHBondContact O-CB 3.4Å; E78-N82 PolarHBondContact O-N 2.87Å; E78-N82 PolarHBondContact O-ND2 3.34Å; N82-L85 PolarHBondContact O-N 3.09Å; N82-H86 WeakPolarHBondContact O-CB 3.17Å; N82-H86 PolarHBondContact O-N 3.32Å; N82-H86 PolarHBondContact O-ND1 3.13Å; N82-H111 PolarHBondContact OD1-NE2 3.29Å; N82-L269 HydrophobicContact CB-CD1 4.49Å; N82-L269 WeakPolarHBondContact OD1-CD1 3.41Å; N82-Y272 HydrophobicContact CB-CD1 3.6Å; N82-Y272 HydrophobicContact CB-CD2 3.52Å; N82-Y272 HydrophobicContact CB-CE1 3.75Å; N82-Y272 HydrophobicContact CB-CE2 3.67Å; N82-Y272 HydrophobicContact CB-CG 3.48Å; N82-Y272 VanDerWaalsContact CB-CG 3.48Å |
| 83 | I | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -56.5 | -60 | 175.5 | -72.9 | 178 | 0 | 0 | 0 | 111 | M79 L85 H86 L87 M201 V247 Y272 F281 | M79-I83 HydrophobicContact CE-CD1 3.58Å; M79-I83 HydrophobicContact CE-CG1 4.39Å; M79-I83 WeakPolarHBondContact O-CB 3.08Å; M79-I83 WeakPolarHBondContact O-CG1 3.07Å; M79-I83 PolarHBondContact O-N 2.67Å; M79-I83 HydrophobicContact SD-CD1 4.35Å; I83-L85 VanDerWaalsContact C-N 3.32Å; I83-L85 PolarHBondContact O-N 2.91Å; I83-H86 PolarHBondContact O-N 3.47Å; I83-L87 HydrophobicContact CG2-CD1 3.89Å; I83-L87 WeakPolarHBondContact O-CG 3.28Å; I83-L87 PolarHBondContact O-N 2.79Å; I83-L87 VanDerWaalsContact O-N 3.13Å; I83-M201 HydrophobicContact CB-CE 3.76Å; I83-M201 HydrophobicContact CD1-CE 3.83Å; I83-M201 HydrophobicContact CG1-CE 4.28Å; I83-M201 HydrophobicContact CG2-CE 4Å; I83-M201 HydrophobicContact CG2-SD 4.26Å; I83-V247 HydrophobicContact CG2-CG2 3.74Å; I83-Y272 HydrophobicContact CG1-CD2 4.37Å; I83-Y272 HydrophobicContact CG1-CE2 3.89Å; I83-F281 HydrophobicContact CD1-CE2 4.41Å; I83-F281 HydrophobicContact CG2-CE2 4.36Å; I83-F281 HydrophobicContact CG2-CZ 4.06Å |
| 84 | P | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65.9 | -34.7 | -177.9 | 28.1 | -37.6 | 0 | 0 | 0 | 112.5 | M80 A81 H86 L87 H88 V166 I168 V199 M201 | M80-P84 VanDerWaalsContact O-CD 3.24Å; M80-P84 WeakPolarHBondContact O-CD 3.43Å; M80-P84 VanDerWaalsContact O-CG 3.29Å; M80-P84 WeakPolarHBondContact O-CG 3.48Å; A81-P84 WeakPolarHBondContact O-CD 3.36Å; A81-P84 WeakPolarHBondContact O-CG 3.49Å; P84-H86 VanDerWaalsContact C-N 3.28Å; P84-H86 PolarHBondContact O-N 3.3Å; P84-L87 PolarHBondContact O-N 2.92Å; P84-L87 VanDerWaalsContact O-N 3.1Å; P84-H88 PolarHBondContact O-N 3.1Å; P84-H88 VanDerWaalsContact O-N 3.14Å; P84-V166 HydrophobicContact CB-CG1 3.65Å; P84-V166 HydrophobicContact CB-CG2 4.27Å; P84-V166 HydrophobicContact CG-CG1 3.82Å; P84-I168 HydrophobicContact CG-CD1 4.33Å; P84-I168 HydrophobicContact CG-CG1 4.29Å; P84-V199 HydrophobicContact CB-CB 4.21Å; P84-V199 HydrophobicContact CB-CG1 3.82Å; P84-M201 HydrophobicContact CB-CB 4.07Å; P84-M201 HydrophobicContact CG-CB 3.7Å; P84-M201 HydrophobicContact CG-CG 4.27Å |
| 85 | L | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -65 | -29.3 | 177.6 | -68.9 | 171.9 | 0 | 0 | 0 | 113.3 | A81 N82 I83 P91 V94 V108 I114 V166 R261 | A81-L85 HydrophobicContact CB-CD1 4.39Å; A81-L85 WeakPolarHBondContact O-CB 3.34Å; A81-L85 VanDerWaalsContact O-CD1 3.26Å; A81-L85 WeakPolarHBondContact O-CD1 3.37Å; A81-L85 WeakPolarHBondContact O-CG 3.24Å; A81-L85 PolarHBondContact O-N 2.8Å; N82-L85 PolarHBondContact O-N 3.09Å; I83-L85 VanDerWaalsContact C-N 3.32Å; I83-L85 PolarHBondContact O-N 2.91Å; L85-P91 HydrophobicContact CB-CG 4.45Å; L85-P91 HydrophobicContact CD2-CB 3.89Å; L85-P91 HydrophobicContact CD2-CG 3.83Å; L85-V94 HydrophobicContact CD2-CG2 3.98Å; L85-V108 HydrophobicContact CD1-CB 4.34Å; L85-V108 HydrophobicContact CD1-CG1 4.39Å; L85-V108 HydrophobicContact CD1-CG2 4.1Å; L85-I114 HydrophobicContact CD2-CD1 3.84Å; L85-V166 HydrophobicContact CD2-CB 4.37Å; L85-V166 HydrophobicContact CD2-CG2 3.97Å; L85-R261 WeakPolarHBondContact O-CD 3.33Å; L85-R261 PolarHBondContact O-NH1 3.32Å |
| 86 | H | 98.5 | Very high | 98.5 | Very high | 1 Ų | 1 | 15.7 Ų | 15.7 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -88.4 | -12 | 174.7 | -70.3 | 80.2 | 0 | 0 | 0 | 113 | N82 I83 P84 H111 P259 L260 R261 Y272 | N82-H86 WeakPolarHBondContact O-CB 3.17Å; N82-H86 PolarHBondContact O-N 3.32Å; N82-H86 PolarHBondContact O-ND1 3.13Å; I83-H86 PolarHBondContact O-N 3.47Å; P84-H86 VanDerWaalsContact C-N 3.28Å; P84-H86 PolarHBondContact O-N 3.3Å; H86-H111 AromaticContact CE1-CE1 3.59Å; H86-P259 HydrophobicContact CB-CB 3.86Å; H86-P259 CarbonylContact O-C 3.05Å; H86-L260 PolarHBondContact O-N 2.99Å; H86-R261 PolarHBondContact O-N 2.9Å; H86-Y272 VanDerWaalsContact CB-OH 3.26Å; H86-Y272 WeakPolarHBondContact CB-OH 3.46Å; H86-Y272 AromaticContact CE1-CE1 3.34Å; H86-Y272 WeakPolarHBondContact CE1-CE1 3.3Å; H86-Y272 AromaticContact CE1-CZ 3.81Å; H86-Y272 AromaticContact CG-CZ 3.91Å; H86-Y272 AromaticContact ND1-CE1 3.61Å; H86-Y272 AromaticContact ND1-CZ 3.56Å; H86-Y272 PolarHBondContact ND1-OH 3.18Å; H86-Y272 VanDerWaalsContact ND1-OH 3.16Å; H86-Y272 AromaticContact NE2-CE1 3.73Å |
| 87 | L | 98.5 | Very high | 98.5 | Very high | 2 Ų | 2 | 15.4 Ų | 15.4 | 1% | 0.01 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -89 | -12.4 | 172.6 | -69.2 | 175.3 | 0 | 0 | 0 | 113.2 | I83 P84 V199 V247 L254 A256 L260 | I83-L87 HydrophobicContact CG2-CD1 3.89Å; I83-L87 WeakPolarHBondContact O-CG 3.28Å; I83-L87 PolarHBondContact O-N 2.79Å; I83-L87 VanDerWaalsContact O-N 3.13Å; P84-L87 PolarHBondContact O-N 2.92Å; P84-L87 VanDerWaalsContact O-N 3.1Å; L87-V199 HydrophobicContact CB-CG1 4.2Å; L87-V199 HydrophobicContact CB-CG2 3.94Å; L87-V199 HydrophobicContact CD1-CG1 4.27Å; L87-V247 HydrophobicContact CD1-CG1 3.77Å; L87-V247 HydrophobicContact CD1-CG2 4.3Å; L87-L254 HydrophobicContact CB-CD1 4.2Å; L87-L254 HydrophobicContact CB-CD2 4.37Å; L87-L254 HydrophobicContact CD2-CD1 4.17Å; L87-L254 WeakPolarHBondContact O-CD1 3.31Å; L87-A256 HydrophobicContact CD1-CB 4.26Å; L87-L260 WeakPolarHBondContact O-CD1 3.29Å |
| 88 | H | 98.2 | Very high | 98.4 | Very high | 11 Ų | 11 | 15.7 Ų | 15.7 | 5% | 0.051 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -95.7 | 136.7 | 167.8 | -166.1 | -84.4 | 0 | 0 | 0 | 110.1 | P84 E90 P91 D165 V166 K197 V199 R261 | P84-H88 PolarHBondContact O-N 3.1Å; P84-H88 VanDerWaalsContact O-N 3.14Å; H88-E90 PolarHBondContact CE1-O 2.89Å; H88-E90 VanDerWaalsContact CE1-O 3.31Å; H88-E90 PolarHBondContact ND1-N 3.14Å; H88-E90 VanDerWaalsContact ND1-N 3.19Å; H88-E90 PolarHBondContact ND1-O 3.16Å; H88-E90 PolarHBondContact O-N 2.88Å; H88-P91 HydrophobicContact CB-CB 4.04Å; H88-P91 HydrophobicContact CB-CG 4.34Å; H88-P91 WeakPolarHBondContact ND1-CA 3.43Å; H88-D165 PolarHBondContact CD2-O 2.88Å; H88-D165 IonicContact CE1-OD1 3.82Å; H88-D165 IonicContact NE2-OD1 3.31Å; H88-V166 HydrophobicContact CB-CG2 4.26Å; H88-K197 PolarHBondContact CD2-O 2.92Å; H88-V199 HydrophobicContact CB-CG2 4.49Å; H88-R261 WeakPolarHBondContact O-CD 3.16Å; H88-R261 WeakPolarHBondContact O-CG 3.28Å |
| 89 | P | 96.9 | Very high | 98.3 | Very high | 57 Ų | 57 | 15.8 Ų | 15.8 | 37% | 0.37 | 8% | 0.079 | S | C | . | . | S | Bend | trans | -67 | -35.2 | -176.6 | 24.9 | -34.5 | 0 | 0 | 0 | 113.8 | K197 R261 | P89-K197 HydrophobicContact CG-CD 3.71Å; P89-R261 WeakPolarHBondContact O-CD 3.43Å; P89-R261 WeakPolarHBondContact O-CG 3.32Å |
| 90 | E | 97.3 | Very high | 98.2 | Very high | 106 Ų | 106 | 15.9 Ų | 15.9 | 50% | 0.495 | 8% | 0.081 | S | C | . | . | S | Bend | trans | -153.1 | 74.8 | -179.5 | -168.6 | -172.4 | 171.3 | 0 | 0 | 110.2 | H88 K92 T113 | H88-E90 PolarHBondContact CE1-O 2.89Å; H88-E90 VanDerWaalsContact CE1-O 3.31Å; H88-E90 PolarHBondContact ND1-N 3.14Å; H88-E90 VanDerWaalsContact ND1-N 3.19Å; H88-E90 PolarHBondContact ND1-O 3.16Å; H88-E90 PolarHBondContact O-N 2.88Å; E90-K92 WeakPolarHBondContact OE1-CE 3.39Å; E90-K92 IonicContact OE1-NZ 2.6Å; E90-K92 PolarHBondContact OE1-NZ 2.96Å; E90-T113 HydrophobicContact CG-CG2 4.44Å |
| 91 | P | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.085 | C | C | . | . | trans | -72.9 | 132.4 | -175.9 | 28.9 | -33.3 | 0 | 0 | 0 | 111.1 | L85 H88 T113 I114 D165 V166 | L85-P91 HydrophobicContact CB-CG 4.45Å; L85-P91 HydrophobicContact CD2-CB 3.89Å; L85-P91 HydrophobicContact CD2-CG 3.83Å; H88-P91 HydrophobicContact CB-CB 4.04Å; H88-P91 HydrophobicContact CB-CG 4.34Å; H88-P91 WeakPolarHBondContact ND1-CA 3.43Å; P91-T113 CarbonylContact O-C 3.6Å; P91-T113 WeakPolarHBondContact O-CB 3.34Å; P91-T113 PolarHBondContact O-OG1 3.44Å; P91-I114 HydrophobicContact CB-CD1 4.23Å; P91-I114 HydrophobicContact CG-CD1 4.38Å; P91-I114 WeakPolarHBondContact O-CD1 3.19Å; P91-D165 HydrophobicContact CB-CB 4.21Å; P91-V166 HydrophobicContact CB-CG2 4.19Å | ||
| 92 | K | 98.7 | Very high | 98.2 | Very high | 68 Ų | 68 | 16.6 Ų | 16.6 | 30% | 0.296 | 9% | 0.085 | S | C | . | . | trans | -122.5 | -39.4 | -179.5 | -60.9 | -176.8 | 176.2 | -155.8 | 0 | 112.9 | E90 T113 E115 L116 D165 | E90-K92 WeakPolarHBondContact OE1-CE 3.39Å; E90-K92 IonicContact OE1-NZ 2.6Å; E90-K92 PolarHBondContact OE1-NZ 2.96Å; K92-T113 WeakPolarHBondContact CA-O 2.8Å; K92-E115 HydrophobicContact CB-CG 4.38Å; K92-E115 WeakPolarHBondContact CD-OE1 3.42Å; K92-E115 IonicContact NZ-OE1 3.65Å; K92-E115 PolarHBondContact O-N 3.34Å; K92-L116 PolarHBondContact O-N 2.95Å; K92-L116 VanDerWaalsContact O-N 3.12Å; K92-D165 PolarHBondContact N-OD2 2.84Å | ||
| 93 | K | 98.9 | Very high | 98.2 | Very high | 73 Ų | 73 | 16.6 Ų | 16.6 | 32% | 0.317 | 9% | 0.085 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 122 | -179.1 | -61.4 | -172.7 | 177.2 | -169.6 | 0 | 110.8 | L116 E162 F164 D165 V166 | K93-L116 WeakPolarHBondContact CA-O 3.3Å; K93-L116 HydrophobicContact CD-CD2 4.48Å; K93-L116 HydrophobicContact CG-CB 4.35Å; K93-L116 HydrophobicContact CG-CD2 4.48Å; K93-E162 IonicContact NZ-OE1 3.63Å; K93-F164 HydrophobicContact CB-CD1 4.04Å; K93-D165 PolarHBondContact N-OD2 2.77Å; K93-D165 PolarHBondContact O-N 2.84Å; K93-V166 PolarHBondContact O-N 2.7Å |
| 94 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 135.6 | 178.4 | -174.9 | 0 | 0 | 0 | 0 | 110.1 | L85 I96 V108 I114 L116 V117 R118 V166 I168 | L85-V94 HydrophobicContact CD2-CG2 3.98Å; V94-I96 HydrophobicContact CG1-CG1 4.17Å; V94-V108 HydrophobicContact CB-CG1 4.07Å; V94-V108 HydrophobicContact CG1-CG1 4.22Å; V94-V108 HydrophobicContact CG1-CG2 4.28Å; V94-V108 HydrophobicContact CG2-CG1 3.73Å; V94-I114 HydrophobicContact CG2-CD1 3.72Å; V94-L116 PolarHBondContact N-O 2.98Å; V94-V117 CarbonylContact O-C 3.6Å; V94-V117 WeakPolarHBondContact O-CA 3.41Å; V94-R118 PolarHBondContact O-N 2.79Å; V94-V166 CarbonylContact C-O 3.54Å; V94-V166 VanDerWaalsContact CA-O 3.29Å; V94-V166 WeakPolarHBondContact CA-O 3.5Å; V94-V166 HydrophobicContact CG1-CB 4.27Å; V94-V166 HydrophobicContact CG1-CG1 4.16Å; V94-V166 HydrophobicContact CG2-CB 4.16Å; V94-I168 HydrophobicContact CG1-CD1 4.42Å |
| 95 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 131.1 | 167.5 | 176.8 | 63.6 | 0 | 0 | 0 | 108.8 | I97 R118 V120 F156 L157 F164 V166 I167 I168 | L95-I97 HydrophobicContact CD1-CD1 3.96Å; L95-I97 HydrophobicContact CD2-CD1 3.98Å; L95-I97 HydrophobicContact CD2-CG1 4.42Å; L95-I97 HydrophobicContact CG-CD1 3.91Å; L95-I97 HydrophobicContact CG-CG1 4.31Å; L95-R118 CarbonylContact C-O 3.28Å; L95-R118 WeakPolarHBondContact CA-O 3.3Å; L95-R118 HydrophobicContact CD1-CB 4.05Å; L95-R118 HydrophobicContact CD1-CG 4.09Å; L95-V120 HydrophobicContact CD1-CG2 3.82Å; L95-F156 HydrophobicContact CD1-CD1 4.38Å; L95-F156 HydrophobicContact CD1-CE1 3.76Å; L95-F156 HydrophobicContact CD1-CZ 4.27Å; L95-F156 HydrophobicContact CD2-CE1 4.09Å; L95-L157 HydrophobicContact CD2-CD2 3.77Å; L95-F164 HydrophobicContact CB-CB 4.27Å; L95-F164 HydrophobicContact CB-CD1 3.68Å; L95-F164 HydrophobicContact CB-CD2 3.84Å; L95-F164 HydrophobicContact CB-CE1 3.86Å; L95-F164 HydrophobicContact CB-CE2 4.01Å; L95-F164 HydrophobicContact CB-CG 3.66Å; L95-F164 HydrophobicContact CB-CZ 4.01Å; L95-F164 HydrophobicContact CD1-CE2 4.45Å; L95-F164 HydrophobicContact CD1-CZ 4.18Å; L95-F164 HydrophobicContact CD2-CD2 3.98Å; L95-F164 HydrophobicContact CD2-CE2 3.84Å; L95-F164 HydrophobicContact CD2-CZ 4.38Å; L95-F164 HydrophobicContact CG-CD2 4.5Å; L95-F164 HydrophobicContact CG-CE2 4.34Å; L95-F164 HydrophobicContact CG-CZ 4.43Å; L95-V166 PolarHBondContact N-O 3.45Å; L95-I167 HydrophobicContact CB-CB 4.45Å; L95-I167 HydrophobicContact CB-CG1 4.15Å; L95-I167 HydrophobicContact CB-CG2 4.06Å; L95-I167 HydrophobicContact CD2-CD1 4.45Å; L95-I167 HydrophobicContact CD2-CG1 4.45Å; L95-I167 HydrophobicContact CD2-CG2 3.96Å; L95-I167 HydrophobicContact CG-CG2 4.09Å; L95-I167 CarbonylContact O-C 3.54Å; L95-I167 VanDerWaalsContact O-CA 3.28Å; L95-I167 WeakPolarHBondContact O-CA 3.36Å; L95-I168 PolarHBondContact O-N 3.4Å |
| 96 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 121.6 | 172.1 | -56.7 | 170.5 | 0 | 0 | 0 | 106.5 | V94 V104 A105 V108 V117 R118 L119 V120 I168 D170 | V94-I96 HydrophobicContact CG1-CG1 4.17Å; I96-V104 HydrophobicContact CD1-CB 4.2Å; I96-V104 HydrophobicContact CD1-CG1 3.75Å; I96-V104 HydrophobicContact CG1-CG1 4.23Å; I96-A105 HydrophobicContact CD1-CB 3.83Å; I96-V108 HydrophobicContact CD1-CG2 4.44Å; I96-V117 HydrophobicContact CD1-CG1 3.69Å; I96-V117 HydrophobicContact CG1-CG1 4.31Å; I96-R118 PolarHBondContact N-O 3.12Å; I96-L119 HydrophobicContact CB-CB 4.49Å; I96-L119 HydrophobicContact CB-CD1 4.36Å; I96-L119 HydrophobicContact CB-CG 4.28Å; I96-L119 HydrophobicContact CD1-CD1 4.34Å; I96-L119 HydrophobicContact CG2-CD1 4.27Å; I96-L119 HydrophobicContact CG2-CG 4.39Å; I96-L119 CarbonylContact O-C 3.59Å; I96-L119 WeakPolarHBondContact O-CA 3.32Å; I96-V120 PolarHBondContact O-N 3.4Å; I96-I168 CarbonylContact C-O 3.58Å; I96-I168 WeakPolarHBondContact CA-O 3.32Å; I96-I168 HydrophobicContact CG1-CB 4.39Å; I96-D170 HydrophobicContact CG2-CB 4.38Å |
| 97 | I | 98.3 | Very high | 98.2 | Very high | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.01 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 119.9 | 170.7 | -55.4 | -60.3 | 0 | 0 | 0 | 107.2 | L95 V120 F156 L157 I168 D170 L181 | L95-I97 HydrophobicContact CD1-CD1 3.96Å; L95-I97 HydrophobicContact CD2-CD1 3.98Å; L95-I97 HydrophobicContact CD2-CG1 4.42Å; L95-I97 HydrophobicContact CG-CD1 3.91Å; L95-I97 HydrophobicContact CG-CG1 4.31Å; I97-V120 HydrophobicContact CD1-CB 3.85Å; I97-V120 HydrophobicContact CD1-CG1 4.49Å; I97-V120 HydrophobicContact CD1-CG2 3.93Å; I97-F156 HydrophobicContact CD1-CD1 4.45Å; I97-L157 HydrophobicContact CD1-CG 4.49Å; I97-I168 PolarHBondContact N-O 3.48Å; I97-D170 CarbonylContact O-C 3.54Å; I97-D170 PolarHBondContact O-N 2.9Å; I97-L181 HydrophobicContact CG2-CD1 3.94Å; I97-L181 HydrophobicContact CG2-CD2 3.91Å |
| 98 | G | 97.1 | Very high | 98.2 | Very high | 8 Ų | 8 | 17.9 Ų | 17.9 | 8% | 0.082 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 85 | -141.5 | -164.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L119 V120 E121 D170 | G98-L119 WeakPolarHBondContact O-CG 3.28Å; G98-V120 PolarHBondContact N-O 3.44Å; G98-E121 WeakPolarHBondContact CA-OE2 3.38Å; G98-D170 CarbonylContact C-O 3.57Å; G98-D170 WeakPolarHBondContact CA-O 3.06Å |
| 99 | G | 96.6 | Very high | 98.2 | Very high | 3 Ų | 3 | 18.1 Ų | 18.1 | 3% | 0.031 | 9% | 0.091 | C | C | . | . | trans | 69.3 | 30.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | D101 G102 D170 | G99-D101 PolarHBondContact O-N 3.2Å; G99-G102 PolarHBondContact O-N 3.39Å; G99-D170 WeakPolarHBondContact CA-OD2 3.42Å; G99-D170 PolarHBondContact N-O 3.03Å | ||
| 100 | G | 97.1 | Very high | 98.3 | Very high | 3 Ų | 3 | 18.4 Ų | 18.4 | 3% | 0.031 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -14.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | E121 F141 | G100-E121 PolarHBondContact N-OE2 3.33Å; G100-F141 WeakPolarHBondContact O-CZ 3.38Å |
| 101 | D | 98 | Very high | 98.3 | Very high | 15 Ų | 15 | 13.5 Ų | 13.5 | 8% | 0.08 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -19.6 | 172.4 | 68 | -84 | 0 | 0 | 0 | 114.2 | L60 Q77 G99 G103 M137 A138 | L60-D101 HydrophobicContact CD2-CB 4.23Å; Q77-D101 PolarHBondContact NE2-OD1 3.2Å; Q77-D101 PolarHBondContact NE2-OD2 3.22Å; G99-D101 PolarHBondContact O-N 3.2Å; D101-G103 VanDerWaalsContact OD2-CA 3.3Å; D101-G103 WeakPolarHBondContact OD2-CA 3.18Å; D101-G103 PolarHBondContact OD2-N 2.9Å; D101-M137 CarbonylContact O-C 3.44Å; D101-M137 VanDerWaalsContact O-CB 3.31Å; D101-M137 WeakPolarHBondContact O-CB 3.45Å; D101-A138 WeakPolarHBondContact O-CA 3.39Å; D101-A138 PolarHBondContact O-N 3.42Å |
| 102 | G | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | S | Bend | trans | 86.9 | -6.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | G99 V104 A105 R106 M137 S140 F141 | G99-G102 PolarHBondContact O-N 3.39Å; G102-V104 PolarHBondContact O-N 2.88Å; G102-A105 PolarHBondContact O-N 2.59Å; G102-A105 VanDerWaalsContact O-N 3.15Å; G102-R106 PolarHBondContact O-N 2.71Å; G102-M137 CarbonylContact C-O 3.32Å; G102-M137 VanDerWaalsContact C-O 3.28Å; G102-S140 WeakPolarHBondContact CA-OG 3.3Å; G102-S140 PolarHBondContact O-OG 2.84Å; G102-F141 VanDerWaalsContact CA-CZ 3.49Å |
| 103 | G | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.1 | -47 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | D101 A105 R106 E107 | D101-G103 VanDerWaalsContact OD2-CA 3.3Å; D101-G103 WeakPolarHBondContact OD2-CA 3.18Å; D101-G103 PolarHBondContact OD2-N 2.9Å; G103-A105 VanDerWaalsContact C-N 3.33Å; G103-A105 PolarHBondContact O-N 2.84Å; G103-R106 WeakPolarHBondContact O-CB 3.31Å; G103-R106 PolarHBondContact O-N 3.24Å; G103-E107 WeakPolarHBondContact O-CG 3.28Å; G103-E107 PolarHBondContact O-N 3.24Å; G103-E107 VanDerWaalsContact O-N 3.14Å |
| 104 | V | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.006 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59.4 | -45.8 | 174.2 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | M80 A81 I96 G102 R106 E107 V108 I168 D170 | M80-V104 HydrophobicContact CB-CG2 4.31Å; M80-V104 HydrophobicContact CG-CG2 4.02Å; A81-V104 HydrophobicContact CB-CG1 4.33Å; I96-V104 HydrophobicContact CD1-CB 4.2Å; I96-V104 HydrophobicContact CD1-CG1 3.75Å; I96-V104 HydrophobicContact CG1-CG1 4.23Å; G102-V104 PolarHBondContact O-N 2.88Å; V104-R106 VanDerWaalsContact C-N 3.32Å; V104-R106 PolarHBondContact O-N 3.36Å; V104-E107 PolarHBondContact O-N 2.89Å; V104-E107 VanDerWaalsContact O-N 3.15Å; V104-V108 HydrophobicContact CG1-CG2 4.13Å; V104-V108 VanDerWaalsContact O-CG2 3.31Å; V104-V108 WeakPolarHBondContact O-CG2 3.26Å; V104-V108 PolarHBondContact O-N 3.39Å; V104-I168 HydrophobicContact CG1-CD1 3.57Å; V104-I168 HydrophobicContact CG1-CG2 4.11Å; V104-D170 HydrophobicContact CG2-CB 3.99Å; V104-D170 WeakPolarHBondContact CG2-OD2 3.46Å |
| 105 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.8 | -41.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | I96 G102 G103 E107 V108 L109 V117 L119 | I96-A105 HydrophobicContact CD1-CB 3.83Å; G102-A105 PolarHBondContact O-N 2.59Å; G102-A105 VanDerWaalsContact O-N 3.15Å; G103-A105 VanDerWaalsContact C-N 3.33Å; G103-A105 PolarHBondContact O-N 2.84Å; A105-E107 VanDerWaalsContact C-N 3.31Å; A105-E107 PolarHBondContact O-N 3.26Å; A105-V108 PolarHBondContact O-N 2.82Å; A105-L109 WeakPolarHBondContact O-CB 3.26Å; A105-L109 WeakPolarHBondContact O-CD1 3.45Å; A105-L109 WeakPolarHBondContact O-CG 3.3Å; A105-L109 PolarHBondContact O-N 2.8Å; A105-V117 HydrophobicContact CB-CG1 4.3Å; A105-L119 HydrophobicContact CB-CD1 4.1Å |
| 106 | R | 98.5 | Very high | 98.1 | Very high | 26 Ų | 26 | 26.1 Ų | 26.1 | 10% | 0.098 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -54.5 | -46.8 | 173.1 | -177.7 | -164.3 | 71 | -151.4 | -6.9 | 111.4 | E73 G102 G103 V104 L109 R136 E139 | E73-R106 IonicContact OE1-CZ 2.67Å; E73-R106 IonicContact OE1-NH1 3.1Å; E73-R106 PolarHBondContact OE1-NH1 2.86Å; E73-R106 IonicContact OE1-NH2 3.45Å; E73-R106 PolarHBondContact OE1-NH2 3.41Å; E73-R106 VanDerWaalsContact OE1-NH2 3.1Å; E73-R106 IonicContact OE2-CZ 2.92Å; E73-R106 IonicContact OE2-NH1 2.8Å; E73-R106 PolarHBondContact OE2-NH1 3.46Å; E73-R106 IonicContact OE2-NH2 3.56Å; E73-R106 PolarHBondContact OE2-NH2 2.87Å; G102-R106 PolarHBondContact O-N 2.71Å; G103-R106 WeakPolarHBondContact O-CB 3.31Å; G103-R106 PolarHBondContact O-N 3.24Å; V104-R106 VanDerWaalsContact C-N 3.32Å; V104-R106 PolarHBondContact O-N 3.36Å; R106-L109 PolarHBondContact O-N 3.45Å; R106-R136 VanDerWaalsContact CD-O 3.31Å; R106-R136 WeakPolarHBondContact CD-O 3.41Å; R106-R136 PolarHBondContact NH1-O 3.36Å; R106-E139 WeakPolarHBondContact CD-OE1 3.44Å; R106-E139 HydrophobicContact CG-CG 4.27Å |
| 107 | E | 98.7 | Very high | 98.1 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.009 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -68.8 | -39.2 | 179.5 | -64.5 | -52.5 | 134.1 | 0 | 0 | 112.9 | Q77 E78 A81 G103 V104 A105 L109 K110 L269 | Q77-E107 HydrophobicContact CB-CG 3.9Å; E78-E107 HydrophobicContact CG-CG 4.21Å; E78-E107 WeakPolarHBondContact CG-OE2 3.44Å; A81-E107 HydrophobicContact CB-CB 3.54Å; G103-E107 WeakPolarHBondContact O-CG 3.28Å; G103-E107 PolarHBondContact O-N 3.24Å; G103-E107 VanDerWaalsContact O-N 3.14Å; V104-E107 PolarHBondContact O-N 2.89Å; V104-E107 VanDerWaalsContact O-N 3.15Å; A105-E107 VanDerWaalsContact C-N 3.31Å; A105-E107 PolarHBondContact O-N 3.26Å; E107-L109 VanDerWaalsContact C-N 3.35Å; E107-L109 PolarHBondContact O-N 3.39Å; E107-K110 WeakPolarHBondContact O-CB 3.46Å; E107-K110 PolarHBondContact O-N 3.12Å; E107-K110 WeakPolarHBondContact OE1-CE 3.21Å; E107-K110 IonicContact OE1-NZ 3.94Å; E107-K110 PolarHBondContact OE1-NZ 2.85Å; E107-K110 WeakPolarHBondContact OE2-CD 3.2Å; E107-K110 VanDerWaalsContact OE2-CE 3.22Å; E107-K110 WeakPolarHBondContact OE2-CE 3.37Å; E107-K110 IonicContact OE2-NZ 2.75Å; E107-K110 PolarHBondContact OE2-NZ 2.75Å; E107-L269 WeakPolarHBondContact OE2-CD2 3.38Å |
| 108 | V | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.7 | -46.2 | 174.3 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | A81 L85 V94 I96 V104 A105 K110 H111 I114 V117 I168 | A81-V108 HydrophobicContact CB-CG2 3.91Å; L85-V108 HydrophobicContact CD1-CB 4.34Å; L85-V108 HydrophobicContact CD1-CG1 4.39Å; L85-V108 HydrophobicContact CD1-CG2 4.1Å; V94-V108 HydrophobicContact CB-CG1 4.07Å; V94-V108 HydrophobicContact CG1-CG1 4.22Å; V94-V108 HydrophobicContact CG1-CG2 4.28Å; V94-V108 HydrophobicContact CG2-CG1 3.73Å; I96-V108 HydrophobicContact CD1-CG2 4.44Å; V104-V108 HydrophobicContact CG1-CG2 4.13Å; V104-V108 VanDerWaalsContact O-CG2 3.31Å; V104-V108 WeakPolarHBondContact O-CG2 3.26Å; V104-V108 PolarHBondContact O-N 3.39Å; A105-V108 PolarHBondContact O-N 2.82Å; V108-K110 PolarHBondContact O-N 2.84Å; V108-K110 VanDerWaalsContact O-N 3.15Å; V108-H111 WeakPolarHBondContact O-CB 3.31Å; V108-H111 PolarHBondContact O-N 2.83Å; V108-I114 HydrophobicContact CG1-CD1 4.14Å; V108-I114 HydrophobicContact CG1-CG1 4.04Å; V108-I114 HydrophobicContact CG1-CG2 4.09Å; V108-V117 HydrophobicContact CB-CG2 4.45Å; V108-V117 HydrophobicContact CG1-CG2 3.62Å; V108-I168 HydrophobicContact CG2-CD1 4.12Å |
| 109 | L | 98.4 | Very high | 98.2 | Very high | 17 Ų | 17 | 26.6 Ų | 26.6 | 9% | 0.089 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.9 | -16.7 | -175.4 | -71.7 | 167.1 | 0 | 0 | 0 | 114.7 | A105 R106 E107 H111 V117 D143 R145 V146 | A105-L109 WeakPolarHBondContact O-CB 3.26Å; A105-L109 WeakPolarHBondContact O-CD1 3.45Å; A105-L109 WeakPolarHBondContact O-CG 3.3Å; A105-L109 PolarHBondContact O-N 2.8Å; R106-L109 PolarHBondContact O-N 3.45Å; E107-L109 VanDerWaalsContact C-N 3.35Å; E107-L109 PolarHBondContact O-N 3.39Å; L109-H111 PolarHBondContact O-N 3.34Å; L109-V117 HydrophobicContact CD2-CG2 3.84Å; L109-V117 HydrophobicContact CG-CG2 4.28Å; L109-D143 HydrophobicContact CD1-CB 3.66Å; L109-D143 HydrophobicContact CD2-CB 4.3Å; L109-R145 HydrophobicContact CD2-CB 4Å; L109-R145 PolarHBondContact O-NH1 3.49Å; L109-R145 PolarHBondContact O-NH2 3.5Å; L109-R145 VanDerWaalsContact O-NH2 3.13Å; L109-V146 HydrophobicContact CD1-CG2 3.66Å; L109-V146 HydrophobicContact CD2-CG2 4.03Å; L109-V146 HydrophobicContact CG-CG2 4.23Å |
| 110 | K | 97.9 | Very high | 98.3 | Very high | 63 Ų | 63 | 26.5 Ų | 26.5 | 27% | 0.274 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -25.7 | 171.8 | -65.2 | 180 | 179.5 | 173.2 | 0 | 111.8 | E107 V108 R112 L267 L269 | E107-K110 WeakPolarHBondContact O-CB 3.46Å; E107-K110 PolarHBondContact O-N 3.12Å; E107-K110 WeakPolarHBondContact OE1-CE 3.21Å; E107-K110 IonicContact OE1-NZ 3.94Å; E107-K110 PolarHBondContact OE1-NZ 2.85Å; E107-K110 WeakPolarHBondContact OE2-CD 3.2Å; E107-K110 VanDerWaalsContact OE2-CE 3.22Å; E107-K110 WeakPolarHBondContact OE2-CE 3.37Å; E107-K110 IonicContact OE2-NZ 2.75Å; E107-K110 PolarHBondContact OE2-NZ 2.75Å; V108-K110 PolarHBondContact O-N 2.84Å; V108-K110 VanDerWaalsContact O-N 3.15Å; K110-R112 PolarHBondContact O-N 2.81Å; K110-L267 HydrophobicContact CB-CD2 4.1Å; K110-L267 WeakPolarHBondContact O-CD2 3.24Å; K110-L269 HydrophobicContact CD-CD2 3.78Å |
| 111 | H | 97.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 27.2 Ų | 27.2 | 1% | 0.014 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -80.6 | 117.5 | 178.9 | -69.7 | -102.6 | 0 | 0 | 0 | 111.2 | N82 H86 V108 L109 T113 I114 R261 | N82-H111 PolarHBondContact OD1-NE2 3.29Å; H86-H111 AromaticContact CE1-CE1 3.59Å; V108-H111 WeakPolarHBondContact O-CB 3.31Å; V108-H111 PolarHBondContact O-N 2.83Å; L109-H111 PolarHBondContact O-N 3.34Å; H111-T113 PolarHBondContact O-N 2.79Å; H111-T113 VanDerWaalsContact O-N 3.17Å; H111-I114 HydrophobicContact CB-CD1 4.46Å; H111-I114 HydrophobicContact CB-CG1 3.67Å; H111-I114 WeakPolarHBondContact O-CB 3.44Å; H111-I114 WeakPolarHBondContact O-CG1 3.49Å; H111-I114 PolarHBondContact O-N 2.92Å; H111-I114 VanDerWaalsContact O-N 3.08Å; H111-R261 PolarHBondContact ND1-NH1 3.31Å; H111-R261 VanDerWaalsContact ND1-NH1 3.17Å; H111-R261 PolarHBondContact ND1-NH2 3.32Å |
| 112 | R | 95.6 | Very high | 98.2 | Very high | 224 Ų | 224 | 28 Ų | 28 | 85% | 0.845 | 12% | 0.123 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -18.4 | -178.2 | -62.9 | -177.7 | -177 | 174 | 3.3 | 114.7 | K110 I114 | K110-R112 PolarHBondContact O-N 2.81Å; R112-I114 PolarHBondContact O-N 3.31Å |
| 113 | T | 97.5 | Very high | 98.1 | Very high | 41 Ų | 41 | 28.2 Ų | 28.2 | 25% | 0.252 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -17.1 | 176.1 | 59 | 0 | 0 | 0 | 0 | 112.3 | E90 P91 K92 H111 E115 | E90-T113 HydrophobicContact CG-CG2 4.44Å; P91-T113 CarbonylContact O-C 3.6Å; P91-T113 WeakPolarHBondContact O-CB 3.34Å; P91-T113 PolarHBondContact O-OG1 3.44Å; K92-T113 WeakPolarHBondContact CA-O 2.8Å; H111-T113 PolarHBondContact O-N 2.79Å; H111-T113 VanDerWaalsContact O-N 3.17Å; T113-E115 PolarHBondContact O-N 3.31Å |
| 114 | I | 98.6 | Very high | 98 | Very high | 4 Ų | 4 | 33.5 Ų | 33.5 | 2% | 0.021 | 15% | 0.149 | C | C | . | . | trans | -76.5 | 121.1 | -175.2 | -55.2 | -63.1 | 0 | 0 | 0 | 110.3 | L85 P91 V94 V108 H111 R112 V117 R145 | L85-I114 HydrophobicContact CD2-CD1 3.84Å; P91-I114 HydrophobicContact CB-CD1 4.23Å; P91-I114 HydrophobicContact CG-CD1 4.38Å; P91-I114 WeakPolarHBondContact O-CD1 3.19Å; V94-I114 HydrophobicContact CG2-CD1 3.72Å; V108-I114 HydrophobicContact CG1-CD1 4.14Å; V108-I114 HydrophobicContact CG1-CG1 4.04Å; V108-I114 HydrophobicContact CG1-CG2 4.09Å; H111-I114 HydrophobicContact CB-CD1 4.46Å; H111-I114 HydrophobicContact CB-CG1 3.67Å; H111-I114 WeakPolarHBondContact O-CB 3.44Å; H111-I114 WeakPolarHBondContact O-CG1 3.49Å; H111-I114 PolarHBondContact O-N 2.92Å; H111-I114 VanDerWaalsContact O-N 3.08Å; R112-I114 PolarHBondContact O-N 3.31Å; I114-V117 HydrophobicContact CG2-CG2 3.55Å; I114-R145 WeakPolarHBondContact O-CD 3.47Å; I114-R145 PolarHBondContact O-NH1 2.74Å | ||
| 115 | E | 98.6 | Very high | 98 | Very high | 117 Ų | 117 | 34.7 Ų | 34.7 | 55% | 0.547 | 16% | 0.159 | S | C | . | . | trans | -105.2 | -29.8 | 179.7 | -64.3 | 173.7 | -171.7 | 0 | 0 | 111.2 | K92 T113 | K92-E115 HydrophobicContact CB-CG 4.38Å; K92-E115 WeakPolarHBondContact CD-OE1 3.42Å; K92-E115 IonicContact NZ-OE1 3.65Å; K92-E115 PolarHBondContact O-N 3.34Å; T113-E115 PolarHBondContact O-N 3.31Å | ||
| 116 | L | 98.8 | Very high | 98 | Very high | 20 Ų | 20 | 34.9 Ų | 34.9 | 11% | 0.105 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 130.5 | -179.6 | 174.7 | 66.7 | 0 | 0 | 0 | 110.9 | K92 K93 V94 Q147 | K92-L116 PolarHBondContact O-N 2.95Å; K92-L116 VanDerWaalsContact O-N 3.12Å; K93-L116 WeakPolarHBondContact CA-O 3.3Å; K93-L116 HydrophobicContact CD-CD2 4.48Å; K93-L116 HydrophobicContact CG-CB 4.35Å; K93-L116 HydrophobicContact CG-CD2 4.48Å; V94-L116 PolarHBondContact N-O 2.98Å; L116-Q147 HydrophobicContact CD1-CB 4.46Å; L116-Q147 HydrophobicContact CD1-CG 3.9Å |
| 117 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 116.8 | 163.6 | -177.9 | 0 | 0 | 0 | 0 | 107.4 | V94 I96 A105 V108 L109 I114 R145 V146 Q147 | V94-V117 CarbonylContact O-C 3.6Å; V94-V117 WeakPolarHBondContact O-CA 3.41Å; I96-V117 HydrophobicContact CD1-CG1 3.69Å; I96-V117 HydrophobicContact CG1-CG1 4.31Å; A105-V117 HydrophobicContact CB-CG1 4.3Å; V108-V117 HydrophobicContact CB-CG2 4.45Å; V108-V117 HydrophobicContact CG1-CG2 3.62Å; L109-V117 HydrophobicContact CD2-CG2 3.84Å; L109-V117 HydrophobicContact CG-CG2 4.28Å; I114-V117 HydrophobicContact CG2-CG2 3.55Å; V117-R145 PolarHBondContact N-O 3.03Å; V117-V146 HydrophobicContact CB-CG2 4.11Å; V117-V146 CarbonylContact O-C 3.55Å; V117-V146 VanDerWaalsContact O-CA 3.29Å; V117-V146 WeakPolarHBondContact O-CA 3.26Å; V117-Q147 PolarHBondContact O-N 2.82Å |
| 118 | R | 98.6 | Very high | 97.9 | Very high | 19 Ų | 19 | 38.1 Ų | 38.1 | 7% | 0.072 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 123.2 | 170.8 | -172.1 | 165.3 | -68.2 | 142.7 | 2.6 | 108.8 | V94 L95 I96 V120 Q147 H149 F156 E162 F164 | V94-R118 PolarHBondContact O-N 2.79Å; L95-R118 CarbonylContact C-O 3.28Å; L95-R118 WeakPolarHBondContact CA-O 3.3Å; L95-R118 HydrophobicContact CD1-CB 4.05Å; L95-R118 HydrophobicContact CD1-CG 4.09Å; I96-R118 PolarHBondContact N-O 3.12Å; R118-V120 HydrophobicContact CG-CG2 4.47Å; R118-Q147 WeakPolarHBondContact CA-O 3.34Å; R118-H149 PolarHBondContact NE-NE2 2.97Å; R118-F156 HydrophobicContact CG-CZ 4.28Å; R118-E162 IonicContact CZ-OE2 2.71Å; R118-E162 VanDerWaalsContact CZ-OE2 3.23Å; R118-E162 IonicContact NH1-OE2 2.67Å; R118-E162 PolarHBondContact NH1-OE2 3.09Å; R118-E162 IonicContact NH2-OE2 2.88Å; R118-E162 PolarHBondContact NH2-OE2 2.94Å; R118-F164 HydrophobicContact CB-CE1 4.05Å; R118-F164 HydrophobicContact CB-CZ 4.35Å |
| 119 | L | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 129.8 | 179.2 | -172.3 | 144.6 | 0 | 0 | 0 | 109.1 | I96 G98 A105 E121 F141 Q147 V148 H149 | I96-L119 HydrophobicContact CB-CB 4.49Å; I96-L119 HydrophobicContact CB-CD1 4.36Å; I96-L119 HydrophobicContact CB-CG 4.28Å; I96-L119 HydrophobicContact CD1-CD1 4.34Å; I96-L119 HydrophobicContact CG2-CD1 4.27Å; I96-L119 HydrophobicContact CG2-CG 4.39Å; I96-L119 CarbonylContact O-C 3.59Å; I96-L119 WeakPolarHBondContact O-CA 3.32Å; G98-L119 WeakPolarHBondContact O-CG 3.28Å; A105-L119 HydrophobicContact CB-CD1 4.1Å; L119-E121 HydrophobicContact CD2-CB 3.87Å; L119-F141 HydrophobicContact CD1-CE1 3.92Å; L119-F141 HydrophobicContact CD2-CE1 4.19Å; L119-Q147 PolarHBondContact N-O 3.14Å; L119-V148 HydrophobicContact CD2-CG1 4.21Å; L119-V148 CarbonylContact O-C 3.36Å; L119-V148 WeakPolarHBondContact O-CA 3.43Å; L119-H149 PolarHBondContact O-N 3.15Å |
| 120 | V | 98.4 | Very high | 97.9 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.012 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 103.1 | -177.7 | -173.5 | 0 | 0 | 0 | 0 | 108.1 | L95 I96 I97 G98 R118 H149 E151 F156 | L95-V120 HydrophobicContact CD1-CG2 3.82Å; I96-V120 PolarHBondContact O-N 3.4Å; I97-V120 HydrophobicContact CD1-CB 3.85Å; I97-V120 HydrophobicContact CD1-CG1 4.49Å; I97-V120 HydrophobicContact CD1-CG2 3.93Å; G98-V120 PolarHBondContact N-O 3.44Å; R118-V120 HydrophobicContact CG-CG2 4.47Å; V120-H149 CarbonylContact C-O 3.22Å; V120-H149 WeakPolarHBondContact CA-O 3.5Å; V120-H149 HydrophobicContact CG1-CB 4.42Å; V120-H149 HydrophobicContact CG2-CB 4.2Å; V120-E151 HydrophobicContact CG1-CG 3.73Å; V120-F156 HydrophobicContact CB-CG 4.49Å; V120-F156 HydrophobicContact CG1-CB 3.84Å; V120-F156 HydrophobicContact CG1-CD2 4.33Å; V120-F156 HydrophobicContact CG1-CG 4.08Å; V120-F156 HydrophobicContact CG2-CB 4.33Å; V120-F156 HydrophobicContact CG2-CD1 3.83Å; V120-F156 HydrophobicContact CG2-CD2 3.69Å; V120-F156 HydrophobicContact CG2-CE1 4.12Å; V120-F156 HydrophobicContact CG2-CE2 3.99Å; V120-F156 HydrophobicContact CG2-CG 3.66Å; V120-F156 HydrophobicContact CG2-CZ 4.23Å |
| 121 | E | 97.5 | Very high | 97.9 | Very high | 17 Ų | 17 | 39.7 Ų | 39.7 | 8% | 0.079 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 133.3 | -179.3 | 172.6 | 50.3 | -117.4 | 0 | 0 | 108.6 | G98 G100 L119 D123 I127 H149 C150 E151 | G98-E121 WeakPolarHBondContact CA-OE2 3.38Å; G100-E121 PolarHBondContact N-OE2 3.33Å; L119-E121 HydrophobicContact CD2-CB 3.87Å; E121-D123 PolarHBondContact OE1-N 3.11Å; E121-I127 HydrophobicContact CB-CD1 3.76Å; E121-I127 HydrophobicContact CB-CG1 4.34Å; E121-I127 HydrophobicContact CG-CD1 3.84Å; E121-I127 HydrophobicContact CG-CG1 4.03Å; E121-H149 PolarHBondContact N-O 3.44Å; E121-C150 CarbonylContact O-C 3.49Å; E121-C150 WeakPolarHBondContact O-CA 3.33Å; E121-E151 CarbonylContact C-O 3.5Å; E121-E151 PolarHBondContact O-N 2.93Å |
| 122 | I | 95.9 | Very high | 97.9 | Very high | 31 Ų | 31 | 43.9 Ų | 43.9 | 16% | 0.159 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -77.5 | -30.3 | -176.8 | -166.6 | 173 | 0 | 0 | 0 | 112.1 | Y45 E151 D152 P177 | Y45-I122 HydrophobicContact CD1-CD1 4.04Å; Y45-I122 HydrophobicContact CD1-CG1 4.09Å; Y45-I122 HydrophobicContact CE1-CD1 3.68Å; Y45-I122 HydrophobicContact CE1-CG1 3.59Å; Y45-I122 WeakPolarHBondContact CE2-O 3.48Å; I122-E151 VanDerWaalsContact CA-O 3.32Å; I122-E151 WeakPolarHBondContact CA-O 3.43Å; I122-E151 PolarHBondContact N-O 2.99Å; I122-D152 HydrophobicContact CD1-CB 4.02Å; I122-D152 HydrophobicContact CG1-CB 4.45Å; I122-P177 HydrophobicContact CD1-CB 4.38Å; I122-P177 HydrophobicContact CG2-CB 3.87Å |
| 123 | D | 96.5 | Very high | 98.1 | Very high | 5 Ų | 5 | 36.6 Ų | 36.6 | 3% | 0.027 | 18% | 0.182 | C | C | . | . | trans | -111.6 | 91.6 | -174 | -166.7 | -0.8 | 0 | 0 | 0 | 112.3 | S43 Y45 Q46 E121 A125 V126 | S43-D123 VanDerWaalsContact CB-OD1 3.26Å; S43-D123 WeakPolarHBondContact CB-OD1 3.47Å; S43-D123 WeakPolarHBondContact CB-OD2 3.49Å; S43-D123 VanDerWaalsContact OG-CG 3.24Å; S43-D123 PolarHBondContact OG-OD1 3.34Å; S43-D123 PolarHBondContact OG-OD2 2.98Å; Y45-D123 HydrophobicContact CD2-CB 3.8Å; Y45-D123 HydrophobicContact CG-CB 4.29Å; Q46-D123 WeakPolarHBondContact CG-OD2 3.28Å; Q46-D123 PolarHBondContact NE2-OD2 3.05Å; Q46-D123 VanDerWaalsContact NE2-OD2 3.1Å; E121-D123 PolarHBondContact OE1-N 3.11Å; D123-A125 PolarHBondContact O-N 3.14Å; D123-A125 VanDerWaalsContact O-N 3.07Å; D123-A125 WeakPolarHBondContact OD1-CB 3.35Å; D123-A125 PolarHBondContact OD1-N 3.37Å; D123-V126 HydrophobicContact CB-CG2 3.86Å; D123-V126 WeakPolarHBondContact O-CB 3.42Å; D123-V126 PolarHBondContact O-N 3.23Å | ||
| 124 | E | 97.4 | Very high | 98.1 | Very high | 112 Ų | 112 | 34.7 Ų | 34.7 | 52% | 0.523 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -52.6 | -30.4 | 176.1 | -175.2 | 172.7 | -149.3 | 0 | 0 | 113 | V126 I127 D128 C150 | E124-V126 PolarHBondContact O-N 2.95Å; E124-I127 WeakPolarHBondContact O-CB 3.2Å; E124-I127 PolarHBondContact O-N 3.43Å; E124-I127 VanDerWaalsContact O-N 3.16Å; E124-D128 PolarHBondContact O-N 2.94Å; E124-C150 HydrophobicContact CB-CB 4.16Å |
| 125 | A | 98.1 | Very high | 98.1 | Very high | 25 Ų | 25 | 37.8 Ų | 37.8 | 21% | 0.207 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.3 | -25.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | I48 D123 A129 | I48-A125 HydrophobicContact CD1-CB 3.74Å; D123-A125 PolarHBondContact O-N 3.14Å; D123-A125 VanDerWaalsContact O-N 3.07Å; D123-A125 WeakPolarHBondContact OD1-CB 3.35Å; D123-A125 PolarHBondContact OD1-N 3.37Å; A125-A129 VanDerWaalsContact O-CB 3.24Å; A125-A129 WeakPolarHBondContact O-CB 3.43Å; A125-A129 PolarHBondContact O-N 2.75Å |
| 126 | V | 98 | Very high | 98 | Very high | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.024 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.2 | -44.4 | 173.7 | 177.9 | 0 | 0 | 0 | 0 | 110.1 | I48 L60 L62 D123 E124 A129 C130 | I48-V126 HydrophobicContact CD1-CG2 3.76Å; I48-V126 HydrophobicContact CG1-CG2 4.3Å; L60-V126 HydrophobicContact CD2-CG1 4.41Å; L62-V126 HydrophobicContact CD1-CG2 4.28Å; L62-V126 HydrophobicContact CD2-CG2 3.92Å; D123-V126 HydrophobicContact CB-CG2 3.86Å; D123-V126 WeakPolarHBondContact O-CB 3.42Å; D123-V126 PolarHBondContact O-N 3.23Å; E124-V126 PolarHBondContact O-N 2.95Å; V126-A129 PolarHBondContact O-N 3.05Å; V126-C130 WeakPolarHBondContact O-CB 3.37Å; V126-C130 PolarHBondContact O-N 3.32Å; V126-C130 PolarHBondContact O-SG 2.96Å |
| 127 | I | 98.2 | Very high | 97.8 | Very high | 10 Ų | 10 | 40.6 Ų | 40.6 | 5% | 0.051 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.6 | -50.4 | 176.4 | -66 | 160.5 | 0 | 0 | 0 | 109.9 | E121 E124 A129 C130 R131 F141 V148 | E121-I127 HydrophobicContact CB-CD1 3.76Å; E121-I127 HydrophobicContact CB-CG1 4.34Å; E121-I127 HydrophobicContact CG-CD1 3.84Å; E121-I127 HydrophobicContact CG-CG1 4.03Å; E124-I127 WeakPolarHBondContact O-CB 3.2Å; E124-I127 PolarHBondContact O-N 3.43Å; E124-I127 VanDerWaalsContact O-N 3.16Å; I127-A129 VanDerWaalsContact C-N 3.34Å; I127-A129 PolarHBondContact O-N 2.76Å; I127-C130 PolarHBondContact O-N 3.11Å; I127-R131 HydrophobicContact CG2-CG 4.33Å; I127-R131 WeakPolarHBondContact O-CG 3.33Å; I127-R131 PolarHBondContact O-N 3.2Å; I127-F141 HydrophobicContact CG1-CZ 4.24Å; I127-F141 HydrophobicContact CG2-CD2 4.07Å; I127-F141 HydrophobicContact CG2-CE2 3.92Å; I127-F141 HydrophobicContact CG2-CZ 4.28Å; I127-V148 HydrophobicContact CD1-CG1 3.63Å |
| 128 | D | 98.2 | Very high | 97.8 | Very high | 87 Ų | 87 | 40.8 Ų | 40.8 | 47% | 0.465 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60.4 | -42.9 | -179.3 | -75.2 | -18.2 | 0 | 0 | 0 | 112.5 | E124 T132 | E124-D128 PolarHBondContact O-N 2.94Å; D128-T132 PolarHBondContact O-N 3.03Å; D128-T132 VanDerWaalsContact O-N 3.16Å; D128-T132 PolarHBondContact O-OG1 3.29Å |
| 129 | A | 98.5 | Very high | 97.7 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 2% | 0.017 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.1 | -43.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y39 I48 I50 A125 V126 I127 T132 Y133 | Y39-A129 HydrophobicContact CD1-CB 3.97Å; Y39-A129 HydrophobicContact CE1-CB 3.8Å; I48-A129 HydrophobicContact CG2-CB 4.32Å; I50-A129 HydrophobicContact CD1-CB 3.82Å; A125-A129 VanDerWaalsContact O-CB 3.24Å; A125-A129 WeakPolarHBondContact O-CB 3.43Å; A125-A129 PolarHBondContact O-N 2.75Å; V126-A129 PolarHBondContact O-N 3.05Å; I127-A129 VanDerWaalsContact C-N 3.34Å; I127-A129 PolarHBondContact O-N 2.76Å; A129-T132 PolarHBondContact O-N 2.93Å; A129-Y133 VanDerWaalsContact O-CD2 3.25Å; A129-Y133 WeakPolarHBondContact O-CD2 3.38Å; A129-Y133 PolarHBondContact O-N 3.31Å |
| 130 | C | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.8 | -39.3 | 179.3 | -66.1 | 0 | 0 | 0 | 0 | 112.4 | V126 I127 T132 L134 A138 | V126-C130 WeakPolarHBondContact O-CB 3.37Å; V126-C130 PolarHBondContact O-N 3.32Å; V126-C130 PolarHBondContact O-SG 2.96Å; I127-C130 PolarHBondContact O-N 3.11Å; C130-T132 PolarHBondContact O-N 3.16Å; C130-L134 HydrophobicContact CB-CB 4.38Å; C130-L134 CarbonylContact O-C 3.49Å; C130-L134 WeakPolarHBondContact O-CA 3.47Å; C130-L134 PolarHBondContact O-N 3.05Å; C130-A138 HydrophobicContact CB-CB 4.27Å |
| 131 | R | 97.9 | Very high | 97.7 | Very high | 110 Ų | 110 | 46.1 Ų | 46.1 | 42% | 0.415 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -57.1 | -40 | 172.3 | -73.1 | -176.7 | 73.9 | 116.8 | 13 | 112 | I127 A138 F141 D142 | I127-R131 HydrophobicContact CG2-CG 4.33Å; I127-R131 WeakPolarHBondContact O-CG 3.33Å; I127-R131 PolarHBondContact O-N 3.2Å; R131-A138 HydrophobicContact CB-CB 4.47Å; R131-A138 HydrophobicContact CG-CB 4.09Å; R131-F141 HydrophobicContact CG-CD2 3.96Å; R131-D142 IonicContact CZ-OD1 3.23Å; R131-D142 IonicContact NH1-OD1 3.87Å; R131-D142 IonicContact NH2-OD1 3.53Å; R131-D142 PolarHBondContact NH2-OD1 3.15Å; R131-D142 IonicContact NH2-OD2 3.32Å |
| 132 | T | 98.4 | Very high | 97.7 | Very high | 92 Ų | 92 | 50.7 Ų | 50.7 | 56% | 0.564 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -78.4 | -46.2 | -177 | -55.7 | 0 | 0 | 0 | 0 | 112.4 | D128 A129 C130 | D128-T132 PolarHBondContact O-N 3.03Å; D128-T132 VanDerWaalsContact O-N 3.16Å; D128-T132 PolarHBondContact O-OG1 3.29Å; A129-T132 PolarHBondContact O-N 2.93Å; C130-T132 PolarHBondContact O-N 3.16Å |
| 133 | Y | 98.5 | Very high | 97.8 | Very high | 71 Ų | 71 | 51 Ų | 51 | 28% | 0.278 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -108.8 | -20.4 | -167.3 | -59.3 | -75.2 | 0 | 0 | 0 | 113.7 | L38 Y39 I50 K58 A129 P135 | L38-Y133 HydrophobicContact CB-CD1 3.83Å; L38-Y133 HydrophobicContact CB-CE1 4.17Å; L38-Y133 HydrophobicContact CB-CG 4.47Å; Y39-Y133 VanDerWaalsContact CB-CE2 3.5Å; Y39-Y133 HydrophobicContact CD2-CD2 4.4Å; Y39-Y133 AromaticContact CD2-CE2 3.53Å; Y39-Y133 HydrophobicContact CD2-CE2 3.53Å; Y39-Y133 HydrophobicContact CE2-CE2 4.4Å; Y39-Y133 HydrophobicContact CG-CD2 4.11Å; Y39-Y133 AromaticContact CG-CE2 3.66Å; Y39-Y133 HydrophobicContact CG-CE2 3.66Å; I50-Y133 HydrophobicContact CD1-CD2 4.11Å; I50-Y133 HydrophobicContact CD1-CG 4.35Å; K58-Y133 WeakPolarHBondContact CD-O 3.43Å; K58-Y133 WeakPolarHBondContact CE-O 3.2Å; A129-Y133 VanDerWaalsContact O-CD2 3.25Å; A129-Y133 WeakPolarHBondContact O-CD2 3.38Å; A129-Y133 PolarHBondContact O-N 3.31Å; Y133-P135 WeakPolarHBondContact O-CD 3.22Å |
| 134 | L | 98.3 | Very high | 97.9 | Very high | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | trans | -125.7 | 51.1 | -178.9 | -62.1 | 164.8 | 0 | 0 | 0 | 112.1 | I50 K58 L60 E70 C130 R136 M137 A138 | I50-L134 HydrophobicContact CD1-CD1 4.11Å; K58-L134 HydrophobicContact CB-CD2 3.47Å; K58-L134 VanDerWaalsContact CB-CD2 3.47Å; K58-L134 HydrophobicContact CD-CD2 4.14Å; K58-L134 HydrophobicContact CG-CD2 4.46Å; L60-L134 HydrophobicContact CB-CD1 3.86Å; E70-L134 HydrophobicContact CG-CD2 4.26Å; C130-L134 HydrophobicContact CB-CB 4.38Å; C130-L134 CarbonylContact O-C 3.49Å; C130-L134 WeakPolarHBondContact O-CA 3.47Å; C130-L134 PolarHBondContact O-N 3.05Å; L134-R136 PolarHBondContact O-N 3.13Å; L134-M137 HydrophobicContact CB-CE 3.7Å; L134-M137 HydrophobicContact CD1-CE 3.71Å; L134-M137 HydrophobicContact CD2-CE 3.65Å; L134-M137 HydrophobicContact CG-CE 3.87Å; L134-M137 PolarHBondContact O-N 3.45Å; L134-A138 PolarHBondContact O-N 2.67Å; L134-A138 VanDerWaalsContact O-N 3.13Å | ||
| 135 | P | 97.8 | Very high | 97.9 | Very high | 68 Ų | 68 | 54.9 Ų | 54.9 | 44% | 0.442 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.9 | -23.3 | -168.5 | 25.2 | -36.3 | 0 | 0 | 0 | 114.5 | Y133 M137 E139 | Y133-P135 WeakPolarHBondContact O-CD 3.22Å; P135-M137 VanDerWaalsContact C-N 3.33Å; P135-E139 WeakPolarHBondContact O-CB 3.41Å; P135-E139 PolarHBondContact O-N 2.87Å |
| 136 | R | 95.8 | Very high | 98 | Very high | 193 Ų | 193 | 54.6 Ų | 54.6 | 73% | 0.728 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -72.2 | -22.9 | 176.3 | -71.3 | -172.9 | 178.6 | -177 | 0.5 | 114.2 | R106 L134 | R106-R136 VanDerWaalsContact CD-O 3.31Å; R106-R136 WeakPolarHBondContact CD-O 3.41Å; R106-R136 PolarHBondContact NH1-O 3.36Å; L134-R136 PolarHBondContact O-N 3.13Å |
| 137 | M | 95.4 | Very high | 98 | Very high | 4 Ų | 4 | 58.4 Ų | 58.4 | 2% | 0.02 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -89.6 | -44.1 | 171 | -71.6 | -178.8 | -69.5 | 0 | 0 | 109.2 | C68 E73 D101 G102 L134 P135 E139 | C68-M137 HydrophobicContact CB-SD 4.46Å; C68-M137 VanDerWaalsContact SG-CE 3.59Å; E73-M137 HydrophobicContact CB-SD 3.98Å; E73-M137 HydrophobicContact CG-CG 4.4Å; E73-M137 HydrophobicContact CG-SD 3.7Å; D101-M137 CarbonylContact O-C 3.44Å; D101-M137 VanDerWaalsContact O-CB 3.31Å; D101-M137 WeakPolarHBondContact O-CB 3.45Å; G102-M137 CarbonylContact C-O 3.32Å; G102-M137 VanDerWaalsContact C-O 3.28Å; L134-M137 HydrophobicContact CB-CE 3.7Å; L134-M137 HydrophobicContact CD1-CE 3.71Å; L134-M137 HydrophobicContact CD2-CE 3.65Å; L134-M137 HydrophobicContact CG-CE 3.87Å; L134-M137 PolarHBondContact O-N 3.45Å; P135-M137 VanDerWaalsContact C-N 3.33Å; M137-E139 PolarHBondContact O-N 3.2Å |
| 138 | A | 98 | Very high | 98 | Very high | 3 Ų | 3 | 60.6 Ų | 60.6 | 3% | 0.025 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -73.4 | -6.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | D101 C130 R131 L134 S140 F141 | D101-A138 WeakPolarHBondContact O-CA 3.39Å; D101-A138 PolarHBondContact O-N 3.42Å; C130-A138 HydrophobicContact CB-CB 4.27Å; R131-A138 HydrophobicContact CB-CB 4.47Å; R131-A138 HydrophobicContact CG-CB 4.09Å; L134-A138 PolarHBondContact O-N 2.67Å; L134-A138 VanDerWaalsContact O-N 3.13Å; A138-S140 PolarHBondContact O-N 3.44Å; A138-S140 VanDerWaalsContact O-N 3.11Å; A138-F141 HydrophobicContact CB-CD2 3.76Å; A138-F141 HydrophobicContact CB-CE2 3.87Å; A138-F141 WeakPolarHBondContact O-CB 3.24Å; A138-F141 WeakPolarHBondContact O-CD2 3.31Å; A138-F141 PolarHBondContact O-N 3.32Å |
| 139 | E | 97.7 | Very high | 98 | Very high | 112 Ų | 112 | 59.1 Ų | 59.1 | 52% | 0.523 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -57.8 | -25.8 | 179.1 | 66.1 | 179.7 | 176.1 | 0 | 0 | 113 | R106 P135 M137 F141 D142 | R106-E139 WeakPolarHBondContact CD-OE1 3.44Å; R106-E139 HydrophobicContact CG-CG 4.27Å; P135-E139 WeakPolarHBondContact O-CB 3.41Å; P135-E139 PolarHBondContact O-N 2.87Å; M137-E139 PolarHBondContact O-N 3.2Å; E139-F141 PolarHBondContact O-N 3Å; E139-D142 PolarHBondContact O-N 3.15Å |
| 140 | S | 98.2 | Very high | 97.9 | Very high | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -59.3 | -30.2 | 175.8 | 59 | 0 | 0 | 0 | 0 | 112.9 | G102 A138 D142 D143 V146 | G102-S140 WeakPolarHBondContact CA-OG 3.3Å; G102-S140 PolarHBondContact O-OG 2.84Å; A138-S140 PolarHBondContact O-N 3.44Å; A138-S140 VanDerWaalsContact O-N 3.11Å; S140-D142 PolarHBondContact O-N 2.84Å; S140-D143 WeakPolarHBondContact O-CB 3.36Å; S140-D143 PolarHBondContact O-N 3.17Å; S140-D143 VanDerWaalsContact O-N 3.11Å; S140-V146 WeakPolarHBondContact O-CG2 3.48Å |
| 141 | F | 98.1 | Very high | 97.8 | Very high | 19 Ų | 19 | 64 Ų | 64 | 8% | 0.083 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -68.5 | -13.1 | -177.7 | -58.6 | -48.2 | 0 | 0 | 0 | 113.6 | G100 G102 L119 I127 R131 A138 E139 V148 | G100-F141 WeakPolarHBondContact O-CZ 3.38Å; G102-F141 VanDerWaalsContact CA-CZ 3.49Å; L119-F141 HydrophobicContact CD1-CE1 3.92Å; L119-F141 HydrophobicContact CD2-CE1 4.19Å; I127-F141 HydrophobicContact CG1-CZ 4.24Å; I127-F141 HydrophobicContact CG2-CD2 4.07Å; I127-F141 HydrophobicContact CG2-CE2 3.92Å; I127-F141 HydrophobicContact CG2-CZ 4.28Å; R131-F141 HydrophobicContact CG-CD2 3.96Å; A138-F141 HydrophobicContact CB-CD2 3.76Å; A138-F141 HydrophobicContact CB-CE2 3.87Å; A138-F141 WeakPolarHBondContact O-CB 3.24Å; A138-F141 WeakPolarHBondContact O-CD2 3.31Å; A138-F141 PolarHBondContact O-N 3.32Å; E139-F141 PolarHBondContact O-N 3Å; F141-V148 HydrophobicContact CD1-CG2 3.73Å; F141-V148 HydrophobicContact CE1-CG2 4.23Å |
| 142 | D | 97.5 | Very high | 97.6 | Very high | 113 Ų | 113 | 60.6 Ų | 60.6 | 60% | 0.604 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -95.8 | -6 | 175.9 | -64.7 | -38.2 | 0 | 0 | 0 | 112.8 | R131 E139 S140 | R131-D142 IonicContact CZ-OD1 3.23Å; R131-D142 IonicContact NH1-OD1 3.87Å; R131-D142 IonicContact NH2-OD1 3.53Å; R131-D142 PolarHBondContact NH2-OD1 3.15Å; R131-D142 IonicContact NH2-OD2 3.32Å; E139-D142 PolarHBondContact O-N 3.15Å; S140-D142 PolarHBondContact O-N 2.84Å |
| 143 | D | 98.4 | Very high | 97.5 | Very high | 38 Ų | 38 | 56.5 Ų | 56.5 | 20% | 0.203 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -74.3 | 128.8 | 175.8 | -170.4 | -56.6 | 0 | 0 | 0 | 110 | L109 S140 R145 V146 | L109-D143 HydrophobicContact CD1-CB 3.66Å; L109-D143 HydrophobicContact CD2-CB 4.3Å; S140-D143 WeakPolarHBondContact O-CB 3.36Å; S140-D143 PolarHBondContact O-N 3.17Å; S140-D143 VanDerWaalsContact O-N 3.11Å; D143-R145 PolarHBondContact O-N 3.4Å; D143-R145 VanDerWaalsContact OD1-CB 3.23Å; D143-R145 WeakPolarHBondContact OD1-CB 3.26Å; D143-R145 WeakPolarHBondContact OD1-CG 3.33Å; D143-R145 IonicContact OD1-CZ 3.85Å; D143-R145 PolarHBondContact OD1-N 3.04Å; D143-R145 IonicContact OD1-NE 3.89Å; D143-R145 PolarHBondContact OD1-NE 3.16Å; D143-R145 IonicContact OD1-NH2 2.82Å; D143-R145 IonicContact OD2-CZ 2.98Å; D143-R145 IonicContact OD2-NE 3.66Å; D143-R145 PolarHBondContact OD2-NE 3.4Å; D143-R145 IonicContact OD2-NH2 3.66Å; D143-R145 PolarHBondContact OD2-NH2 2.79Å; D143-V146 HydrophobicContact CB-CG2 4.19Å; D143-V146 PolarHBondContact O-N 2.9Å |
| 144 | P | 98.1 | Very high | 97.3 | Very high | 128 Ų | 128 | 54.1 Ų | 54.1 | 83% | 0.831 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -13.3 | -177.1 | 27 | -36.8 | 0 | 0 | 0 | 114.2 | V146 | P144-V146 VanDerWaalsContact C-N 3.3Š|
| 145 | R | 98.6 | Very high | 97.2 | Very high | 69 Ų | 69 | 58.4 Ų | 58.4 | 26% | 0.26 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -11 | 174.1 | -60.3 | 172.5 | -71.4 | 166.5 | 0.2 | 112.4 | L109 I114 V117 D143 | L109-R145 HydrophobicContact CD2-CB 4Å; L109-R145 PolarHBondContact O-NH1 3.49Å; L109-R145 PolarHBondContact O-NH2 3.5Å; L109-R145 VanDerWaalsContact O-NH2 3.13Å; I114-R145 WeakPolarHBondContact O-CD 3.47Å; I114-R145 PolarHBondContact O-NH1 2.74Å; V117-R145 PolarHBondContact N-O 3.03Å; D143-R145 PolarHBondContact O-N 3.4Å; D143-R145 VanDerWaalsContact OD1-CB 3.23Å; D143-R145 WeakPolarHBondContact OD1-CB 3.26Å; D143-R145 WeakPolarHBondContact OD1-CG 3.33Å; D143-R145 IonicContact OD1-CZ 3.85Å; D143-R145 PolarHBondContact OD1-N 3.04Å; D143-R145 IonicContact OD1-NE 3.89Å; D143-R145 PolarHBondContact OD1-NE 3.16Å; D143-R145 IonicContact OD1-NH2 2.82Å; D143-R145 IonicContact OD2-CZ 2.98Å; D143-R145 IonicContact OD2-NE 3.66Å; D143-R145 PolarHBondContact OD2-NE 3.4Å; D143-R145 IonicContact OD2-NH2 3.66Å; D143-R145 PolarHBondContact OD2-NH2 2.79Å |
| 146 | V | 98.8 | Very high | 97.2 | Very high | 19 Ų | 19 | 55.6 Ų | 55.6 | 12% | 0.115 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 127.4 | 179.9 | -178.6 | 0 | 0 | 0 | 0 | 111 | L109 V117 S140 D143 P144 V148 | L109-V146 HydrophobicContact CD1-CG2 3.66Å; L109-V146 HydrophobicContact CD2-CG2 4.03Å; L109-V146 HydrophobicContact CG-CG2 4.23Å; V117-V146 HydrophobicContact CB-CG2 4.11Å; V117-V146 CarbonylContact O-C 3.55Å; V117-V146 VanDerWaalsContact O-CA 3.29Å; V117-V146 WeakPolarHBondContact O-CA 3.26Å; S140-V146 WeakPolarHBondContact O-CG2 3.48Å; D143-V146 HydrophobicContact CB-CG2 4.19Å; D143-V146 PolarHBondContact O-N 2.9Å; P144-V146 VanDerWaalsContact C-N 3.3Å; V146-V148 HydrophobicContact CG1-CG2 3.91Å |
| 147 | Q | 98.4 | Very high | 97.2 | Very high | 84 Ų | 84 | 46.5 Ų | 46.5 | 39% | 0.393 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 111 | 171.2 | -66.6 | 178.9 | -1.8 | 0 | 0 | 108.9 | L116 V117 R118 L119 | L116-Q147 HydrophobicContact CD1-CB 4.46Å; L116-Q147 HydrophobicContact CD1-CG 3.9Å; V117-Q147 PolarHBondContact O-N 2.82Å; R118-Q147 WeakPolarHBondContact CA-O 3.34Å; L119-Q147 PolarHBondContact N-O 3.14Å |
| 148 | V | 98.4 | Very high | 97.3 | Very high | 56 Ų | 56 | 51.1 Ų | 51.1 | 34% | 0.339 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 133.5 | 178.7 | -176.5 | 0 | 0 | 0 | 0 | 110.2 | L119 I127 F141 V146 | L119-V148 HydrophobicContact CD2-CG1 4.21Å; L119-V148 CarbonylContact O-C 3.36Å; L119-V148 WeakPolarHBondContact O-CA 3.43Å; I127-V148 HydrophobicContact CD1-CG1 3.63Å; F141-V148 HydrophobicContact CD1-CG2 3.73Å; F141-V148 HydrophobicContact CE1-CG2 4.23Å; V146-V148 HydrophobicContact CG1-CG2 3.91Å |
| 149 | H | 98.3 | Very high | 97.2 | Very high | 57 Ų | 57 | 56.5 Ų | 56.5 | 26% | 0.264 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 115.9 | 175.8 | -71.2 | -101 | 0 | 0 | 0 | 109.2 | R118 L119 V120 E121 E151 | R118-H149 PolarHBondContact NE-NE2 2.97Å; L119-H149 PolarHBondContact O-N 3.15Å; V120-H149 CarbonylContact C-O 3.22Å; V120-H149 WeakPolarHBondContact CA-O 3.5Å; V120-H149 HydrophobicContact CG1-CB 4.42Å; V120-H149 HydrophobicContact CG2-CB 4.2Å; E121-H149 PolarHBondContact N-O 3.44Å; H149-E151 HydrophobicContact CB-CG 4.2Å; H149-E151 WeakPolarHBondContact CB-OE1 3.13Å; H149-E151 IonicContact CG-OE1 3.88Å; H149-E151 IonicContact ND1-OE1 2.79Å; H149-E151 PolarHBondContact O-N 2.8Å |
| 150 | C | 97.6 | Very high | 97.1 | Very high | 62 Ų | 62 | 52.2 Ų | 52.2 | 42% | 0.419 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 87.3 | -179.2 | -62.8 | 0 | 0 | 0 | 0 | 111.2 | E121 E124 | E121-C150 CarbonylContact O-C 3.49Å; E121-C150 WeakPolarHBondContact O-CA 3.33Å; E124-C150 HydrophobicContact CB-CB 4.16Å |
| 151 | E | 95.9 | Very high | 96.9 | Very high | 42 Ų | 42 | 60.6 Ų | 60.6 | 20% | 0.196 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -170.7 | 171.8 | -173.4 | 59.4 | -177.1 | 138.2 | 0 | 0 | 114.3 | V120 E121 I122 H149 G153 F156 R159 | V120-E151 HydrophobicContact CG1-CG 3.73Å; E121-E151 CarbonylContact C-O 3.5Å; E121-E151 PolarHBondContact O-N 2.93Å; I122-E151 VanDerWaalsContact CA-O 3.32Å; I122-E151 WeakPolarHBondContact CA-O 3.43Å; I122-E151 PolarHBondContact N-O 2.99Å; H149-E151 HydrophobicContact CB-CG 4.2Å; H149-E151 WeakPolarHBondContact CB-OE1 3.13Å; H149-E151 IonicContact CG-OE1 3.88Å; H149-E151 IonicContact ND1-OE1 2.79Å; H149-E151 PolarHBondContact O-N 2.8Å; E151-G153 PolarHBondContact O-N 2.91Å; E151-F156 HydrophobicContact CG-CB 4.46Å; E151-R159 IonicContact OE1-CZ 3.58Å; E151-R159 IonicContact OE1-NH2 3.81Å; E151-R159 PolarHBondContact OE1-NH2 3.46Å; E151-R159 IonicContact OE2-CZ 2.92Å; E151-R159 IonicContact OE2-NH1 2.61Å; E151-R159 PolarHBondContact OE2-NH1 3.01Å; E151-R159 IonicContact OE2-NH2 2.63Å; E151-R159 PolarHBondContact OE2-NH2 2.93Å |
| 152 | D | 94.4 | Very high | 96.8 | Very high | 39 Ų | 39 | 63.1 Ų | 63.1 | 21% | 0.209 | 31% | 0.313 | C | S | . | . | trans | -66 | 129.7 | 175.7 | 177.7 | -81.8 | 0 | 0 | 0 | 112 | I122 L154 E155 F156 S180 | I122-D152 HydrophobicContact CD1-CB 4.02Å; I122-D152 HydrophobicContact CG1-CB 4.45Å; D152-L154 PolarHBondContact O-N 2.91Å; D152-L154 WeakPolarHBondContact OD1-CA 3.49Å; D152-L154 WeakPolarHBondContact OD1-CB 3.46Å; D152-L154 PolarHBondContact OD1-N 3.47Å; D152-E155 HydrophobicContact CB-CB 4.16Å; D152-E155 HydrophobicContact CB-CG 4.1Å; D152-E155 PolarHBondContact O-N 3.16Å; D152-E155 PolarHBondContact OD1-N 2.75Å; D152-F156 PolarHBondContact O-N 2.85Å; D152-S180 PolarHBondContact OD2-OG 2.98Å | ||
| 153 | G | 94.9 | Very high | 96.8 | Very high | 5 Ų | 5 | 62.6 Ų | 62.6 | 5% | 0.052 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.9 | -35.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | E151 F156 L157 | E151-G153 PolarHBondContact O-N 2.91Å; G153-F156 WeakPolarHBondContact O-CB 3.24Å; G153-F156 PolarHBondContact O-N 3.45Å; G153-L157 VanDerWaalsContact O-CG 3.25Å; G153-L157 WeakPolarHBondContact O-CG 3.16Å; G153-L157 PolarHBondContact O-N 2.91Å |
| 154 | L | 94.7 | Very high | 96.9 | Very high | 22 Ų | 22 | 60.8 Ų | 60.8 | 12% | 0.115 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -72.3 | -40.5 | 177.3 | 177.1 | 62.2 | 0 | 0 | 0 | 110.9 | D152 F156 L157 K158 Y186 K189 | D152-L154 PolarHBondContact O-N 2.91Å; D152-L154 WeakPolarHBondContact OD1-CA 3.49Å; D152-L154 WeakPolarHBondContact OD1-CB 3.46Å; D152-L154 PolarHBondContact OD1-N 3.47Å; L154-F156 VanDerWaalsContact C-N 3.32Å; L154-L157 PolarHBondContact O-N 3.1Å; L154-K158 WeakPolarHBondContact O-CG 3.29Å; L154-K158 PolarHBondContact O-N 3.24Å; L154-Y186 HydrophobicContact CD1-CD2 4.22Å; L154-K189 HydrophobicContact CD1-CG 4.38Å |
| 155 | E | 95.6 | Very high | 96.9 | Very high | 91 Ų | 91 | 55.9 Ų | 55.9 | 43% | 0.425 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63 | -38.7 | 173.2 | -67.2 | -51.9 | 127.4 | 0 | 0 | 111.9 | D152 K158 R159 | D152-E155 HydrophobicContact CB-CB 4.16Å; D152-E155 HydrophobicContact CB-CG 4.1Å; D152-E155 PolarHBondContact O-N 3.16Å; D152-E155 PolarHBondContact OD1-N 2.75Å; E155-K158 PolarHBondContact O-N 2.57Å; E155-K158 IonicContact OE1-NZ 2.63Å; E155-K158 PolarHBondContact OE1-NZ 2.8Å; E155-K158 IonicContact OE2-NZ 3.99Å; E155-R159 PolarHBondContact O-NH1 3.11Å |
| 156 | F | 97.6 | Very high | 96.9 | Very high | 8 Ų | 8 | 52.6 Ų | 52.6 | 4% | 0.035 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -57 | -52.6 | 170.5 | 176 | -84.7 | 0 | 0 | 0 | 111.5 | L95 I97 R118 V120 E151 D152 G153 L154 K158 R159 N160 | L95-F156 HydrophobicContact CD1-CD1 4.38Å; L95-F156 HydrophobicContact CD1-CE1 3.76Å; L95-F156 HydrophobicContact CD1-CZ 4.27Å; L95-F156 HydrophobicContact CD2-CE1 4.09Å; I97-F156 HydrophobicContact CD1-CD1 4.45Å; R118-F156 HydrophobicContact CG-CZ 4.28Å; V120-F156 HydrophobicContact CB-CG 4.49Å; V120-F156 HydrophobicContact CG1-CB 3.84Å; V120-F156 HydrophobicContact CG1-CD2 4.33Å; V120-F156 HydrophobicContact CG1-CG 4.08Å; V120-F156 HydrophobicContact CG2-CB 4.33Å; V120-F156 HydrophobicContact CG2-CD1 3.83Å; V120-F156 HydrophobicContact CG2-CD2 3.69Å; V120-F156 HydrophobicContact CG2-CE1 4.12Å; V120-F156 HydrophobicContact CG2-CE2 3.99Å; V120-F156 HydrophobicContact CG2-CG 3.66Å; V120-F156 HydrophobicContact CG2-CZ 4.23Å; E151-F156 HydrophobicContact CG-CB 4.46Å; D152-F156 PolarHBondContact O-N 2.85Å; G153-F156 WeakPolarHBondContact O-CB 3.24Å; G153-F156 PolarHBondContact O-N 3.45Å; L154-F156 VanDerWaalsContact C-N 3.32Å; F156-K158 VanDerWaalsContact C-N 3.31Å; F156-K158 PolarHBondContact O-N 3.06Å; F156-R159 VanDerWaalsContact CD2-NH2 3.3Å; F156-R159 WeakPolarHBondContact O-CG 3.32Å; F156-R159 PolarHBondContact O-N 2.62Å; F156-N160 HydrophobicContact CD1-CB 4.34Å; F156-N160 HydrophobicContact CE1-CB 3.89Å; F156-N160 HydrophobicContact CZ-CB 4.33Å; F156-N160 WeakPolarHBondContact O-CB 3.34Å; F156-N160 PolarHBondContact O-N 2.99Å |
| 157 | L | 97.6 | Very high | 96.9 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.8 | -35.1 | -177.7 | -72.3 | 167.1 | 0 | 0 | 0 | 112.9 | L95 I97 G153 L154 R159 N160 Y186 K189 L190 | L95-L157 HydrophobicContact CD2-CD2 3.77Å; I97-L157 HydrophobicContact CD1-CG 4.49Å; G153-L157 VanDerWaalsContact O-CG 3.25Å; G153-L157 WeakPolarHBondContact O-CG 3.16Å; G153-L157 PolarHBondContact O-N 2.91Å; L154-L157 PolarHBondContact O-N 3.1Å; L157-R159 VanDerWaalsContact C-N 3.28Å; L157-R159 PolarHBondContact O-N 3.28Å; L157-N160 PolarHBondContact O-N 3.31Å; L157-Y186 HydrophobicContact CD1-CD2 3.83Å; L157-Y186 HydrophobicContact CD1-CE2 3.42Å; L157-Y186 VanDerWaalsContact CD1-CE2 3.42Å; L157-K189 HydrophobicContact CB-CB 3.97Å; L157-K189 HydrophobicContact CD1-CB 4.39Å; L157-L190 HydrophobicContact CD1-CD2 3.62Å; L157-L190 HydrophobicContact CD1-CG 4.35Å; L157-L190 HydrophobicContact CD2-CD2 4.1Å |
| 158 | K | 96.1 | Very high | 96.9 | Very high | 100 Ų | 100 | 47.7 Ų | 47.7 | 44% | 0.435 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.1 | -36 | 178.6 | -78.4 | 170.9 | -177.5 | 168.8 | 0 | 113.1 | L154 E155 F156 | L154-K158 WeakPolarHBondContact O-CG 3.29Å; L154-K158 PolarHBondContact O-N 3.24Å; E155-K158 PolarHBondContact O-N 2.57Å; E155-K158 IonicContact OE1-NZ 2.63Å; E155-K158 PolarHBondContact OE1-NZ 2.8Å; E155-K158 IonicContact OE2-NZ 3.99Å; F156-K158 VanDerWaalsContact C-N 3.31Å; F156-K158 PolarHBondContact O-N 3.06Å |
| 159 | R | 95.8 | Very high | 96.9 | Very high | 117 Ų | 117 | 45 Ų | 45 | 44% | 0.442 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -100 | -16.8 | -178.8 | 67.4 | -179.1 | -168.1 | -81.4 | -24.1 | 113.8 | E151 E155 F156 L157 K161 | E151-R159 IonicContact OE1-CZ 3.58Å; E151-R159 IonicContact OE1-NH2 3.81Å; E151-R159 PolarHBondContact OE1-NH2 3.46Å; E151-R159 IonicContact OE2-CZ 2.92Å; E151-R159 IonicContact OE2-NH1 2.61Å; E151-R159 PolarHBondContact OE2-NH1 3.01Å; E151-R159 IonicContact OE2-NH2 2.63Å; E151-R159 PolarHBondContact OE2-NH2 2.93Å; E155-R159 PolarHBondContact O-NH1 3.11Å; F156-R159 VanDerWaalsContact CD2-NH2 3.3Å; F156-R159 WeakPolarHBondContact O-CG 3.32Å; F156-R159 PolarHBondContact O-N 2.62Å; L157-R159 VanDerWaalsContact C-N 3.28Å; L157-R159 PolarHBondContact O-N 3.28Å; R159-K161 PolarHBondContact O-N 3.14Å |
| 160 | N | 96.3 | Very high | 96.8 | Very high | 21 Ų | 21 | 43 Ų | 43 | 11% | 0.112 | 20% | 0.202 | C | C | . | . | trans | -56.3 | 136.6 | 175.6 | 177.8 | 52.2 | 0 | 0 | 0 | 111 | F156 L157 E162 S193 | F156-N160 HydrophobicContact CD1-CB 4.34Å; F156-N160 HydrophobicContact CE1-CB 3.89Å; F156-N160 HydrophobicContact CZ-CB 4.33Å; F156-N160 WeakPolarHBondContact O-CB 3.34Å; F156-N160 PolarHBondContact O-N 2.99Å; L157-N160 PolarHBondContact O-N 3.31Å; N160-E162 PolarHBondContact ND2-O 2.95Å; N160-E162 PolarHBondContact OD1-N 3.02Å; N160-E162 VanDerWaalsContact OD1-N 3.11Å; N160-S193 PolarHBondContact ND2-OG 3.09Å; N160-S193 VanDerWaalsContact ND2-OG 3.14Å | ||
| 161 | K | 93.7 | Very high | 96.4 | Very high | 179 Ų | 179 | 41.2 Ų | 41.2 | 78% | 0.778 | 19% | 0.189 | S | C | * | . | trans | -120.6 | -7.1 | 174.8 | -57.6 | -60.3 | 171.2 | -158.9 | 0 | 112.5 | R159 | R159-K161 PolarHBondContact O-N 3.14Š| ||
| 162 | E | 96.3 | Very high | 95.7 | Very high | 72 Ų | 72 | 40.7 Ų | 40.7 | 34% | 0.336 | 19% | 0.189 | S | C | . | . | trans | -83.7 | 154.4 | 179.9 | -64.6 | -166.7 | 81.3 | 0 | 0 | 111.5 | K93 R118 N160 F164 | K93-E162 IonicContact NZ-OE1 3.63Å; R118-E162 IonicContact CZ-OE2 2.71Å; R118-E162 VanDerWaalsContact CZ-OE2 3.23Å; R118-E162 IonicContact NH1-OE2 2.67Å; R118-E162 PolarHBondContact NH1-OE2 3.09Å; R118-E162 IonicContact NH2-OE2 2.88Å; R118-E162 PolarHBondContact NH2-OE2 2.94Å; N160-E162 PolarHBondContact ND2-O 2.95Å; N160-E162 PolarHBondContact OD1-N 3.02Å; N160-E162 VanDerWaalsContact OD1-N 3.11Å; E162-F164 HydrophobicContact CB-CE2 4.43Å | ||
| 163 | K | 98.3 | Very high | 95 | Very high | 102 Ų | 102 | 39.9 Ų | 39.9 | 44% | 0.443 | 19% | 0.185 | S | C | . | . | trans | -102.3 | 143.5 | 173.6 | -59.3 | -53.8 | -155.3 | 137.2 | 0 | 110.7 | E192 S193 L194 | K163-E192 VanDerWaalsContact CE-O 3.27Å; K163-E192 WeakPolarHBondContact CE-O 3.48Å; K163-E192 PolarHBondContact NZ-O 3.04Å; K163-S193 CarbonylContact C-O 3.52Å; K163-S193 VanDerWaalsContact CA-O 3.28Å; K163-S193 WeakPolarHBondContact CA-O 3.44Å; K163-L194 VanDerWaalsContact CD-O 3.31Å; K163-L194 WeakPolarHBondContact CD-O 3.45Å; K163-L194 PolarHBondContact NZ-O 3.34Å | ||
| 164 | F | 98.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 145.4 | 177.7 | -60.9 | -87.2 | 0 | 0 | 0 | 110.6 | K93 L95 R118 E162 I167 S193 S195 | K93-F164 HydrophobicContact CB-CD1 4.04Å; L95-F164 HydrophobicContact CB-CB 4.27Å; L95-F164 HydrophobicContact CB-CD1 3.68Å; L95-F164 HydrophobicContact CB-CD2 3.84Å; L95-F164 HydrophobicContact CB-CE1 3.86Å; L95-F164 HydrophobicContact CB-CE2 4.01Å; L95-F164 HydrophobicContact CB-CG 3.66Å; L95-F164 HydrophobicContact CB-CZ 4.01Å; L95-F164 HydrophobicContact CD1-CE2 4.45Å; L95-F164 HydrophobicContact CD1-CZ 4.18Å; L95-F164 HydrophobicContact CD2-CD2 3.98Å; L95-F164 HydrophobicContact CD2-CE2 3.84Å; L95-F164 HydrophobicContact CD2-CZ 4.38Å; L95-F164 HydrophobicContact CG-CD2 4.5Å; L95-F164 HydrophobicContact CG-CE2 4.34Å; L95-F164 HydrophobicContact CG-CZ 4.43Å; R118-F164 HydrophobicContact CB-CE1 4.05Å; R118-F164 HydrophobicContact CB-CZ 4.35Å; E162-F164 HydrophobicContact CB-CE2 4.43Å; F164-I167 HydrophobicContact CB-CD1 4.42Å; F164-I167 HydrophobicContact CB-CG1 3.85Å; F164-S193 PolarHBondContact N-O 2.82Å; F164-S195 PolarHBondContact O-N 2.75Å |
| 165 | D | 98.8 | Very high | 93.2 | Very high | 25 Ų | 25 | 41.6 Ų | 41.6 | 13% | 0.134 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | -33.3 | 177.7 | -59.7 | -41.1 | 0 | 0 | 0 | 111.3 | H88 P91 K92 K93 S195 G198 V199 | H88-D165 PolarHBondContact CD2-O 2.88Å; H88-D165 IonicContact CE1-OD1 3.82Å; H88-D165 IonicContact NE2-OD1 3.31Å; P91-D165 HydrophobicContact CB-CB 4.21Å; K92-D165 PolarHBondContact N-OD2 2.84Å; K93-D165 PolarHBondContact N-OD2 2.77Å; K93-D165 PolarHBondContact O-N 2.84Å; D165-S195 PolarHBondContact OD1-OG 3.45Å; D165-G198 CarbonylContact O-C 3.59Å; D165-G198 WeakPolarHBondContact O-CA 3.27Å; D165-V199 PolarHBondContact O-N 3.1Å |
| 166 | V | 98.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 135.3 | 174 | 171.7 | 0 | 0 | 0 | 0 | 109 | P84 L85 H88 P91 K93 V94 L95 I168 V199 | P84-V166 HydrophobicContact CB-CG1 3.65Å; P84-V166 HydrophobicContact CB-CG2 4.27Å; P84-V166 HydrophobicContact CG-CG1 3.82Å; L85-V166 HydrophobicContact CD2-CB 4.37Å; L85-V166 HydrophobicContact CD2-CG2 3.97Å; H88-V166 HydrophobicContact CB-CG2 4.26Å; P91-V166 HydrophobicContact CB-CG2 4.19Å; K93-V166 PolarHBondContact O-N 2.7Å; V94-V166 CarbonylContact C-O 3.54Å; V94-V166 VanDerWaalsContact CA-O 3.29Å; V94-V166 WeakPolarHBondContact CA-O 3.5Å; V94-V166 HydrophobicContact CG1-CB 4.27Å; V94-V166 HydrophobicContact CG1-CG1 4.16Å; V94-V166 HydrophobicContact CG2-CB 4.16Å; L95-V166 PolarHBondContact N-O 3.45Å; V166-I168 HydrophobicContact CG1-CD1 4.19Å; V166-I168 HydrophobicContact CG1-CG1 3.85Å; V166-V199 CarbonylContact C-O 3.5Å; V166-V199 VanDerWaalsContact CA-O 3.29Å; V166-V199 WeakPolarHBondContact CA-O 3.01Å |
| 167 | I | 98.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 129.7 | 169.2 | -51.4 | 174.9 | 0 | 0 | 0 | 108.5 | L95 F164 L190 L194 V199 I200 M201 | L95-I167 HydrophobicContact CB-CB 4.45Å; L95-I167 HydrophobicContact CB-CG1 4.15Å; L95-I167 HydrophobicContact CB-CG2 4.06Å; L95-I167 HydrophobicContact CD2-CD1 4.45Å; L95-I167 HydrophobicContact CD2-CG1 4.45Å; L95-I167 HydrophobicContact CD2-CG2 3.96Å; L95-I167 HydrophobicContact CG-CG2 4.09Å; L95-I167 CarbonylContact O-C 3.54Å; L95-I167 VanDerWaalsContact O-CA 3.28Å; L95-I167 WeakPolarHBondContact O-CA 3.36Å; F164-I167 HydrophobicContact CB-CD1 4.42Å; F164-I167 HydrophobicContact CB-CG1 3.85Å; I167-L190 HydrophobicContact CG2-CD2 3.77Å; I167-L194 HydrophobicContact CB-CD2 4.46Å; I167-L194 HydrophobicContact CD1-CD2 3.63Å; I167-L194 HydrophobicContact CD1-CG 3.93Å; I167-L194 HydrophobicContact CG1-CD2 3.73Å; I167-V199 PolarHBondContact N-O 3.34Å; I167-I200 HydrophobicContact CB-CG1 4.16Å; I167-I200 CarbonylContact O-C 3.48Å; I167-I200 VanDerWaalsContact O-CA 3.25Å; I167-I200 WeakPolarHBondContact O-CA 3.31Å; I167-M201 PolarHBondContact O-N 2.81Å |
| 168 | I | 98.8 | Very high | 90 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 126.2 | 179.5 | -60.6 | 173.4 | 0 | 0 | 0 | 108.3 | M80 P84 V94 L95 I96 I97 V104 V108 V166 D170 M201 | M80-I168 HydrophobicContact CG-CG2 3.43Å; M80-I168 VanDerWaalsContact CG-CG2 3.43Å; M80-I168 HydrophobicContact SD-CG2 3.78Å; P84-I168 HydrophobicContact CG-CD1 4.33Å; P84-I168 HydrophobicContact CG-CG1 4.29Å; V94-I168 HydrophobicContact CG1-CD1 4.42Å; L95-I168 PolarHBondContact O-N 3.4Å; I96-I168 CarbonylContact C-O 3.58Å; I96-I168 WeakPolarHBondContact CA-O 3.32Å; I96-I168 HydrophobicContact CG1-CB 4.39Å; I97-I168 PolarHBondContact N-O 3.48Å; V104-I168 HydrophobicContact CG1-CD1 3.57Å; V104-I168 HydrophobicContact CG1-CG2 4.11Å; V108-I168 HydrophobicContact CG2-CD1 4.12Å; V166-I168 HydrophobicContact CG1-CD1 4.19Å; V166-I168 HydrophobicContact CG1-CG1 3.85Å; I168-D170 HydrophobicContact CG2-CB 4.2Å; I168-M201 CarbonylContact C-O 3.54Å; I168-M201 VanDerWaalsContact CA-O 3.25Å; I168-M201 WeakPolarHBondContact CA-O 3.48Å; I168-M201 HydrophobicContact CG1-CB 4.36Å |
| 169 | T | 98.2 | Very high | 89.3 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 97 | 167.7 | -48.3 | 0 | 0 | 0 | 0 | 107.9 | L181 Y186 M201 T202 Q203 | T169-L181 HydrophobicContact CG2-CD1 4.49Å; T169-Y186 HydrophobicContact CG2-CE1 4.25Å; T169-Y186 WeakPolarHBondContact CG2-OH 3.13Å; T169-Y186 PolarHBondContact OG1-OH 3.12Å; T169-M201 PolarHBondContact N-O 2.87Å; T169-T202 WeakPolarHBondContact CB-OG1 3.43Å; T169-T202 HydrophobicContact CG2-CG2 4.1Å; T169-T202 PolarHBondContact OG1-OG1 3.03Å; T169-Q203 PolarHBondContact O-N 3.46Å; T169-Q203 VanDerWaalsContact O-N 3.14Å |
| 170 | D | 96.2 | Very high | 88.7 | Confident | 15 Ų | 15 | 38.4 Ų | 38.4 | 8% | 0.08 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 67.6 | 176 | -175.9 | 29.7 | 0 | 0 | 0 | 109.1 | Y76 I96 I97 G98 G99 V104 I168 | Y76-D170 WeakPolarHBondContact CE1-OD1 3.31Å; Y76-D170 VanDerWaalsContact CZ-OD1 3.31Å; Y76-D170 PolarHBondContact OH-OD1 3.34Å; I96-D170 HydrophobicContact CG2-CB 4.38Å; I97-D170 CarbonylContact O-C 3.54Å; I97-D170 PolarHBondContact O-N 2.9Å; G98-D170 CarbonylContact C-O 3.57Å; G98-D170 WeakPolarHBondContact CA-O 3.06Å; G99-D170 WeakPolarHBondContact CA-OD2 3.42Å; G99-D170 PolarHBondContact N-O 3.03Å; V104-D170 HydrophobicContact CG2-CB 3.99Å; V104-D170 WeakPolarHBondContact CG2-OD2 3.46Å; I168-D170 HydrophobicContact CG2-CB 4.2Å |
| 171 | S | 88.1 | Confident | 88.2 | Confident | 23 Ų | 23 | 38.3 Ų | 38.3 | 16% | 0.161 | 21% | 0.207 | C | C | . | . | trans | -105.4 | 162.3 | -177 | 67.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 172 | T | 82.6 | Confident | 87.9 | Confident | 32 Ų | 32 | 32.5 Ų | 32.5 | 20% | 0.196 | 18% | 0.182 | C | C | . | . | trans | -59.9 | 169.4 | 161 | 63 | 0 | 0 | 0 | 0 | 110.7 | L62 | L62-T172 HydrophobicContact CD1-CG2 4.27Š| ||
| 173 | D | 79.7 | Confident | 87.5 | Confident | 21 Ų | 21 | 29.8 Ų | 29.8 | 11% | 0.112 | 17% | 0.174 | C | C | . | . | trans | -45.4 | 151.3 | 169.4 | -56.7 | -2.5 | 0 | 0 | 0 | 111.5 | L23 V175 | L23-D173 HydrophobicContact CD1-CB 3.99Å; L23-D173 HydrophobicContact CD2-CB 4.13Å; D173-V175 HydrophobicContact CB-CG2 4.07Å; D173-V175 PolarHBondContact O-N 3.37Å | ||
| 174 | P | 78.3 | Confident | 87.1 | Confident | 21 Ų | 21 | 27.6 Ų | 27.6 | 14% | 0.136 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -72.8 | 58.3 | -176.6 | 30.8 | -37.5 | 0 | 0 | 0 | 113.2 | L23 F182 L213 | L23-P174 HydrophobicContact CD1-CG 4.13Å; L23-P174 HydrophobicContact CD2-CG 4.08Å; P174-F182 HydrophobicContact CB-CB 3.8Å; P174-F182 HydrophobicContact CB-CD2 4Å; P174-F182 HydrophobicContact CB-CG 4.02Å; P174-F182 HydrophobicContact CG-CD2 4.25Å; P174-L213 HydrophobicContact CG-CD2 4.07Å |
| 175 | V | 73.7 | Confident | 86.8 | Confident | 42 Ų | 42 | 31 Ų | 31 | 26% | 0.255 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -138.1 | 157.5 | 173.3 | -73.7 | 0 | 0 | 0 | 0 | 108.5 | L23 D173 G178 | L23-V175 HydrophobicContact CD1-CB 4.41Å; L23-V175 HydrophobicContact CD1-CG1 3.44Å; L23-V175 VanDerWaalsContact CD1-CG1 3.44Å; L23-V175 HydrophobicContact CD1-CG2 4.26Å; D173-V175 HydrophobicContact CB-CG2 4.07Å; D173-V175 PolarHBondContact O-N 3.37Å; V175-G178 PolarHBondContact O-N 3.25Å |
| 176 | G | 77.9 | Confident | 86.7 | Confident | 52 Ų | 52 | 29.8 Ų | 29.8 | 54% | 0.536 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | 56.1 | -130.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | G178 E179 | G176-G178 PolarHBondContact O-N 2.87Å; G176-G178 VanDerWaalsContact O-N 3.17Å; G176-E179 WeakPolarHBondContact O-CB 3.21Å; G176-E179 PolarHBondContact O-N 3.18Å |
| 177 | P | 70.5 | Confident | 86.6 | Confident | 28 Ų | 28 | 29.9 Ų | 29.9 | 18% | 0.182 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -59.4 | -23.8 | 178.3 | -21.1 | 32.7 | 0 | 0 | 0 | 114.7 | I122 | I122-P177 HydrophobicContact CD1-CB 4.38Å; I122-P177 HydrophobicContact CG2-CB 3.87Å |
| 178 | G | 75 | Confident | 86.5 | Confident | 2 Ų | 2 | 34.6 Ų | 34.6 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -80.5 | -13.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | V175 G176 S180 L181 | V175-G178 PolarHBondContact O-N 3.25Å; G176-G178 PolarHBondContact O-N 2.87Å; G176-G178 VanDerWaalsContact O-N 3.17Å; G178-S180 VanDerWaalsContact C-N 3.31Å; G178-S180 PolarHBondContact O-N 3.35Å; G178-L181 WeakPolarHBondContact O-CB 3.32Å; G178-L181 PolarHBondContact O-N 2.88Å |
| 179 | E | 80.3 | Confident | 86.4 | Confident | 135 Ų | 135 | 37.2 Ų | 37.2 | 63% | 0.631 | 22% | 0.22 | S | C | * | . | G | 310 helix | trans | -60.8 | -38 | -175 | -172.8 | 179.1 | -173.6 | 0 | 0 | 112.4 | G176 L181 F182 | G176-E179 WeakPolarHBondContact O-CB 3.21Å; G176-E179 PolarHBondContact O-N 3.18Å; E179-L181 PolarHBondContact O-N 3.21Å; E179-F182 PolarHBondContact O-N 3.13Å |
| 180 | S | 83.3 | Confident | 86.4 | Confident | 36 Ų | 36 | 37.2 Ų | 37.2 | 25% | 0.252 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -68.4 | -16.5 | 179.5 | 69.1 | 0 | 0 | 0 | 0 | 113.5 | D152 G178 F182 | D152-S180 PolarHBondContact OD2-OG 2.98Å; G178-S180 VanDerWaalsContact C-N 3.31Å; G178-S180 PolarHBondContact O-N 3.35Å; S180-F182 VanDerWaalsContact C-N 3.29Å |
| 181 | L | 86.9 | Confident | 86.5 | Confident | 18 Ų | 18 | 40.7 Ų | 40.7 | 9% | 0.094 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -92.4 | 8.2 | -178.8 | -49.4 | -179.2 | 0 | 0 | 0 | 112 | I97 T169 G178 E179 Y186 | I97-L181 HydrophobicContact CG2-CD1 3.94Å; I97-L181 HydrophobicContact CG2-CD2 3.91Å; T169-L181 HydrophobicContact CG2-CD1 4.49Å; G178-L181 WeakPolarHBondContact O-CB 3.32Å; G178-L181 PolarHBondContact O-N 2.88Å; E179-L181 PolarHBondContact O-N 3.21Å; L181-Y186 HydrophobicContact CB-CE1 4.35Å; L181-Y186 HydrophobicContact CB-CE2 4.28Å; L181-Y186 HydrophobicContact CD2-CD2 4.01Å; L181-Y186 HydrophobicContact CD2-CE2 3.52Å; L181-Y186 HydrophobicContact CG-CE2 4.49Å; L181-Y186 WeakPolarHBondContact O-CD1 3.49Å; L181-Y186 WeakPolarHBondContact O-CE1 3.39Å |
| 182 | F | 85.7 | Confident | 86.9 | Confident | 57 Ų | 57 | 44.6 Ų | 44.6 | 25% | 0.25 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -115.7 | 131.9 | 175 | -165.1 | -95.6 | 0 | 0 | 0 | 110.8 | P174 E179 S180 L213 L217 I220 | P174-F182 HydrophobicContact CB-CB 3.8Å; P174-F182 HydrophobicContact CB-CD2 4Å; P174-F182 HydrophobicContact CB-CG 4.02Å; P174-F182 HydrophobicContact CG-CD2 4.25Å; E179-F182 PolarHBondContact O-N 3.13Å; S180-F182 VanDerWaalsContact C-N 3.29Å; F182-L213 HydrophobicContact CE2-CD1 4.08Å; F182-L213 HydrophobicContact CE2-CG 4.41Å; F182-L213 HydrophobicContact CZ-CD1 3.8Å; F182-L213 HydrophobicContact CZ-CG 4.49Å; F182-L217 HydrophobicContact CD2-CD1 4.09Å; F182-L217 HydrophobicContact CE2-CB 4.23Å; F182-L217 HydrophobicContact CE2-CD1 3.69Å; F182-L217 HydrophobicContact CE2-CG 4.48Å; F182-L217 HydrophobicContact CZ-CD1 4.49Å; F182-I220 HydrophobicContact CE1-CD1 3.95Å; F182-I220 HydrophobicContact CZ-CD1 4.1Å |
| 183 | G | 88 | Confident | 87.7 | Confident | 15 Ų | 15 | 43.2 Ų | 43.2 | 16% | 0.155 | 24% | 0.242 | C | C | . | . | S | Bend | trans | 122.5 | 164.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | S185 Y186 Y187 | G183-S185 VanDerWaalsContact C-N 3.29Å; G183-S185 PolarHBondContact O-N 2.76Å; G183-Y186 PolarHBondContact O-N 3.38Å; G183-Y187 VanDerWaalsContact O-CD2 3.3Å; G183-Y187 WeakPolarHBondContact O-CD2 3.45Å; G183-Y187 PolarHBondContact O-N 3.17Å |
| 184 | V | 91.2 | Very high | 88.5 | Confident | 57 Ų | 57 | 42.5 Ų | 42.5 | 35% | 0.345 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -57.4 | -39.8 | -172.6 | 179.2 | 0 | 0 | 0 | 0 | 112.4 | Y186 Y187 Q188 I220 V224 | V184-Y186 PolarHBondContact O-N 3.11Å; V184-Y187 PolarHBondContact O-N 3.23Å; V184-Q188 HydrophobicContact CG1-CG 4.18Å; V184-Q188 WeakPolarHBondContact O-CB 3.39Å; V184-Q188 VanDerWaalsContact O-CG 3.28Å; V184-Q188 WeakPolarHBondContact O-CG 3.47Å; V184-Q188 PolarHBondContact O-N 2.66Å; V184-I220 HydrophobicContact CB-CG2 4.43Å; V184-I220 HydrophobicContact CG2-CB 4.41Å; V184-I220 HydrophobicContact CG2-CG1 4.15Å; V184-I220 HydrophobicContact CG2-CG2 3.87Å; V184-V224 HydrophobicContact CG1-CG2 4.12Å |
| 185 | S | 92.6 | Very high | 89.4 | Confident | 71 Ų | 71 | 42.6 Ų | 42.6 | 50% | 0.497 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.5 | -41 | -179.5 | 51.1 | 0 | 0 | 0 | 0 | 112.5 | G183 K189 | G183-S185 VanDerWaalsContact C-N 3.29Å; G183-S185 PolarHBondContact O-N 2.76Å; S185-K189 WeakPolarHBondContact O-CG 3.42Å; S185-K189 PolarHBondContact O-N 3.3Å; S185-K189 VanDerWaalsContact O-N 3.13Å |
| 186 | Y | 95.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.8 | -51.1 | 175.1 | 174.2 | -107.4 | 0 | 0 | 0 | 110.9 | L154 L157 T169 L181 G183 V184 Q188 K189 L190 | L154-Y186 HydrophobicContact CD1-CD2 4.22Å; L157-Y186 HydrophobicContact CD1-CD2 3.83Å; L157-Y186 HydrophobicContact CD1-CE2 3.42Å; L157-Y186 VanDerWaalsContact CD1-CE2 3.42Å; T169-Y186 HydrophobicContact CG2-CE1 4.25Å; T169-Y186 WeakPolarHBondContact CG2-OH 3.13Å; T169-Y186 PolarHBondContact OG1-OH 3.12Å; L181-Y186 HydrophobicContact CB-CE1 4.35Å; L181-Y186 HydrophobicContact CB-CE2 4.28Å; L181-Y186 HydrophobicContact CD2-CD2 4.01Å; L181-Y186 HydrophobicContact CD2-CE2 3.52Å; L181-Y186 HydrophobicContact CG-CE2 4.49Å; L181-Y186 WeakPolarHBondContact O-CD1 3.49Å; L181-Y186 WeakPolarHBondContact O-CE1 3.39Å; G183-Y186 PolarHBondContact O-N 3.38Å; V184-Y186 PolarHBondContact O-N 3.11Å; Y186-Q188 VanDerWaalsContact C-N 3.31Å; Y186-Q188 PolarHBondContact O-N 3.21Å; Y186-K189 WeakPolarHBondContact O-CA 3.18Å; Y186-K189 WeakPolarHBondContact O-CB 3.45Å; Y186-K189 PolarHBondContact O-N 3.06Å; Y186-L190 HydrophobicContact CD1-CD1 3.98Å; Y186-L190 HydrophobicContact CD1-CG 4.29Å; Y186-L190 HydrophobicContact CE1-CD1 3.42Å; Y186-L190 VanDerWaalsContact CE1-CD1 3.42Å; Y186-L190 HydrophobicContact CE1-CD2 4.3Å; Y186-L190 HydrophobicContact CE1-CG 3.92Å; Y186-L190 HydrophobicContact CE2-CD2 4.17Å; Y186-L190 HydrophobicContact CE2-CG 4.36Å; Y186-L190 PolarHBondContact O-N 3.4Å |
| 187 | Y | 96.8 | Very high | 91.4 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.008 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.9 | -33.2 | 179.5 | -78.1 | -76.2 | 0 | 0 | 0 | 113.4 | G183 V184 K189 L190 K191 T202 L217 I220 C221 F225 | G183-Y187 VanDerWaalsContact O-CD2 3.3Å; G183-Y187 WeakPolarHBondContact O-CD2 3.45Å; G183-Y187 PolarHBondContact O-N 3.17Å; V184-Y187 PolarHBondContact O-N 3.23Å; Y187-K189 VanDerWaalsContact C-N 3.34Å; Y187-L190 HydrophobicContact CD1-CD1 3.86Å; Y187-L190 HydrophobicContact CE1-CD1 4.08Å; Y187-L190 PolarHBondContact O-N 3.47Å; Y187-K191 PolarHBondContact O-N 3.39Å; Y187-T202 VanDerWaalsContact OH-CG2 3.25Å; Y187-T202 WeakPolarHBondContact OH-CG2 3.45Å; Y187-L217 HydrophobicContact CE2-CD1 3.55Å; Y187-L217 WeakPolarHBondContact OH-CD1 3.34Å; Y187-I220 HydrophobicContact CD2-CG2 3.67Å; Y187-I220 HydrophobicContact CE2-CG2 4.28Å; Y187-I220 HydrophobicContact CG-CG2 4.37Å; Y187-C221 VanDerWaalsContact CD1-SG 3.6Å; Y187-C221 WeakPolarHBondContact CE1-SG 3.49Å; Y187-C221 VanDerWaalsContact CZ-SG 3.58Å; Y187-F225 AromaticContact CD1-CE2 3.94Å; Y187-F225 HydrophobicContact CD1-CE2 3.94Å; Y187-F225 HydrophobicContact CG-CE2 4.45Å; Y187-F225 WeakPolarHBondContact O-CZ 3.47Å |
| 188 | Q | 96.8 | Very high | 92.7 | Very high | 98 Ų | 98 | 50.7 Ų | 50.7 | 46% | 0.458 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62 | -41.9 | 170.3 | -77 | 174 | -13.7 | 0 | 0 | 111.5 | V184 Y186 K191 E192 V224 | V184-Q188 HydrophobicContact CG1-CG 4.18Å; V184-Q188 WeakPolarHBondContact O-CB 3.39Å; V184-Q188 VanDerWaalsContact O-CG 3.28Å; V184-Q188 WeakPolarHBondContact O-CG 3.47Å; V184-Q188 PolarHBondContact O-N 2.66Å; Y186-Q188 VanDerWaalsContact C-N 3.31Å; Y186-Q188 PolarHBondContact O-N 3.21Å; Q188-K191 WeakPolarHBondContact O-CB 3.42Å; Q188-K191 PolarHBondContact O-N 3.26Å; Q188-E192 WeakPolarHBondContact O-CG 3.47Å; Q188-E192 PolarHBondContact O-N 3.47Å; Q188-V224 HydrophobicContact CG-CG1 4.37Å; Q188-V224 HydrophobicContact CG-CG2 4.1Å |
| 189 | K | 97.6 | Very high | 93.9 | Very high | 56 Ų | 56 | 50.6 Ų | 50.6 | 24% | 0.243 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69.4 | -34 | 177 | -68.6 | -71.2 | 166.8 | -131.3 | 0 | 113.1 | L154 L157 S185 Y186 Y187 E192 S193 | L154-K189 HydrophobicContact CD1-CG 4.38Å; L157-K189 HydrophobicContact CB-CB 3.97Å; L157-K189 HydrophobicContact CD1-CB 4.39Å; S185-K189 WeakPolarHBondContact O-CG 3.42Å; S185-K189 PolarHBondContact O-N 3.3Å; S185-K189 VanDerWaalsContact O-N 3.13Å; Y186-K189 WeakPolarHBondContact O-CA 3.18Å; Y186-K189 WeakPolarHBondContact O-CB 3.45Å; Y186-K189 PolarHBondContact O-N 3.06Å; Y187-K189 VanDerWaalsContact C-N 3.34Å; K189-E192 IonicContact NZ-OE1 2.81Å; K189-E192 PolarHBondContact NZ-OE1 3.17Å; K189-E192 IonicContact NZ-OE2 2.67Å; K189-E192 PolarHBondContact NZ-OE2 2.87Å; K189-E192 PolarHBondContact O-N 3.15Å; K189-S193 PolarHBondContact O-N 2.9Å; K189-S193 VanDerWaalsContact O-N 3.14Å; K189-S193 PolarHBondContact O-OG 3.07Å |
| 190 | L | 97.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.4 | -48.9 | 168.2 | -64.7 | -176.6 | 0 | 0 | 0 | 110.9 | L157 I167 Y186 Y187 E192 S193 L194 I200 | L157-L190 HydrophobicContact CD1-CD2 3.62Å; L157-L190 HydrophobicContact CD1-CG 4.35Å; L157-L190 HydrophobicContact CD2-CD2 4.1Å; I167-L190 HydrophobicContact CG2-CD2 3.77Å; Y186-L190 HydrophobicContact CD1-CD1 3.98Å; Y186-L190 HydrophobicContact CD1-CG 4.29Å; Y186-L190 HydrophobicContact CE1-CD1 3.42Å; Y186-L190 VanDerWaalsContact CE1-CD1 3.42Å; Y186-L190 HydrophobicContact CE1-CD2 4.3Å; Y186-L190 HydrophobicContact CE1-CG 3.92Å; Y186-L190 HydrophobicContact CE2-CD2 4.17Å; Y186-L190 HydrophobicContact CE2-CG 4.36Å; Y186-L190 PolarHBondContact O-N 3.4Å; Y187-L190 HydrophobicContact CD1-CD1 3.86Å; Y187-L190 HydrophobicContact CE1-CD1 4.08Å; Y187-L190 PolarHBondContact O-N 3.47Å; L190-E192 VanDerWaalsContact C-N 3.32Å; L190-E192 PolarHBondContact O-N 3.48Å; L190-S193 CarbonylContact O-C 3.53Å; L190-S193 WeakPolarHBondContact O-CA 3.19Å; L190-S193 PolarHBondContact O-N 2.94Å; L190-L194 PolarHBondContact O-N 3.25Å; L190-I200 HydrophobicContact CB-CD1 3.58Å; L190-I200 HydrophobicContact CB-CG1 4.35Å; L190-I200 HydrophobicContact CD1-CD1 4.12Å; L190-I200 HydrophobicContact CD1-CG1 4.49Å; L190-I200 HydrophobicContact CD1-CG2 4.12Å |
| 191 | K | 97.5 | Very high | 95.4 | Very high | 89 Ų | 89 | 42.4 Ų | 42.4 | 39% | 0.387 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -56.8 | -44.6 | 176.5 | -175.1 | 175 | 179.3 | 174 | 0 | 112.3 | Y187 Q188 S193 L194 V224 F225 V250 | Y187-K191 PolarHBondContact O-N 3.39Å; Q188-K191 WeakPolarHBondContact O-CB 3.42Å; Q188-K191 PolarHBondContact O-N 3.26Å; K191-S193 PolarHBondContact O-N 3.21Å; K191-L194 PolarHBondContact O-N 3.24Å; K191-V224 HydrophobicContact CB-CG1 3.97Å; K191-V224 HydrophobicContact CD-CG1 3.71Å; K191-V224 WeakPolarHBondContact CD-O 3.39Å; K191-V224 WeakPolarHBondContact CE-O 3.45Å; K191-V224 HydrophobicContact CG-CG1 4.46Å; K191-V224 PolarHBondContact NZ-O 3.28Å; K191-F225 HydrophobicContact CB-CE1 3.55Å; K191-F225 HydrophobicContact CB-CZ 3.7Å; K191-F225 HydrophobicContact CD-CD1 4.49Å; K191-F225 HydrophobicContact CD-CE1 4.24Å; K191-F225 HydrophobicContact CG-CD1 4.47Å; K191-F225 HydrophobicContact CG-CE1 3.85Å; K191-F225 HydrophobicContact CG-CZ 4.46Å; K191-V250 HydrophobicContact CD-CG1 4.29Å; K191-V250 HydrophobicContact CG-CG1 3.77Å |
| 192 | E | 97.2 | Very high | 96 | Very high | 105 Ų | 105 | 41.9 Ų | 41.9 | 49% | 0.491 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.7 | -24.1 | 175.7 | -73.1 | 172.2 | -148.6 | 0 | 0 | 112.9 | K163 Q188 K189 L190 | K163-E192 VanDerWaalsContact CE-O 3.27Å; K163-E192 WeakPolarHBondContact CE-O 3.48Å; K163-E192 PolarHBondContact NZ-O 3.04Å; Q188-E192 WeakPolarHBondContact O-CG 3.47Å; Q188-E192 PolarHBondContact O-N 3.47Å; K189-E192 IonicContact NZ-OE1 2.81Å; K189-E192 PolarHBondContact NZ-OE1 3.17Å; K189-E192 IonicContact NZ-OE2 2.67Å; K189-E192 PolarHBondContact NZ-OE2 2.87Å; K189-E192 PolarHBondContact O-N 3.15Å; L190-E192 VanDerWaalsContact C-N 3.32Å; L190-E192 PolarHBondContact O-N 3.48Å |
| 193 | S | 98.2 | Very high | 96.4 | Very high | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -95.7 | -1.9 | 179.1 | -58.8 | 0 | 0 | 0 | 0 | 113.8 | N160 K163 F164 K189 L190 K191 | N160-S193 PolarHBondContact ND2-OG 3.09Å; N160-S193 VanDerWaalsContact ND2-OG 3.14Å; K163-S193 CarbonylContact C-O 3.52Å; K163-S193 VanDerWaalsContact CA-O 3.28Å; K163-S193 WeakPolarHBondContact CA-O 3.44Å; F164-S193 PolarHBondContact N-O 2.82Å; K189-S193 PolarHBondContact O-N 2.9Å; K189-S193 VanDerWaalsContact O-N 3.14Å; K189-S193 PolarHBondContact O-OG 3.07Å; L190-S193 CarbonylContact O-C 3.53Å; L190-S193 WeakPolarHBondContact O-CA 3.19Å; L190-S193 PolarHBondContact O-N 2.94Å; K191-S193 PolarHBondContact O-N 3.21Å |
| 194 | L | 97.9 | Very high | 96.8 | Very high | 5 Ų | 5 | 39.2 Ų | 39.2 | 3% | 0.026 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 146.4 | 178.3 | -76.5 | 176.9 | 0 | 0 | 0 | 113.7 | K163 I167 L190 K191 I200 F225 V250 | K163-L194 VanDerWaalsContact CD-O 3.31Å; K163-L194 WeakPolarHBondContact CD-O 3.45Å; K163-L194 PolarHBondContact NZ-O 3.34Å; I167-L194 HydrophobicContact CB-CD2 4.46Å; I167-L194 HydrophobicContact CD1-CD2 3.63Å; I167-L194 HydrophobicContact CD1-CG 3.93Å; I167-L194 HydrophobicContact CG1-CD2 3.73Å; L190-L194 PolarHBondContact O-N 3.25Å; K191-L194 PolarHBondContact O-N 3.24Å; L194-I200 HydrophobicContact CD1-CD1 3.6Å; L194-I200 HydrophobicContact CD1-CG1 3.86Å; L194-I200 HydrophobicContact CD2-CG1 4.02Å; L194-I200 HydrophobicContact CG-CD1 4.17Å; L194-I200 HydrophobicContact CG-CG1 4.17Å; L194-F225 HydrophobicContact CD1-CE1 3.98Å; L194-V250 HydrophobicContact CD1-CG1 4.23Å |
| 195 | S | 97.8 | Very high | 96.9 | Very high | 23 Ų | 23 | 37 Ų | 37 | 16% | 0.161 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 168.7 | 162.4 | 77.1 | 0 | 0 | 0 | 0 | 111.2 | F164 D165 K197 G198 | F164-S195 PolarHBondContact O-N 2.75Å; D165-S195 PolarHBondContact OD1-OG 3.45Å; S195-K197 PolarHBondContact O-N 3.33Å; S195-G198 PolarHBondContact O-N 3.23Å |
| 196 | E | 95.7 | Very high | 97.1 | Very high | 177 Ų | 177 | 33.9 Ų | 33.9 | 83% | 0.827 | 16% | 0.158 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -60.4 | -28.5 | -175 | -65.6 | -176.9 | 168.5 | 0 | 0 | 114.1 | ||
| 197 | K | 97.1 | Very high | 97.1 | Very high | 115 Ų | 115 | 34 Ų | 34 | 50% | 0.5 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 12.2 | 176.8 | -60.4 | -175.9 | -174.2 | 173.9 | 0 | 112.1 | H88 P89 S195 | H88-K197 PolarHBondContact CD2-O 2.92Å; P89-K197 HydrophobicContact CG-CD 3.71Å; S195-K197 PolarHBondContact O-N 3.33Å |
| 198 | G | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 148.3 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | D165 S195 S249 | D165-G198 CarbonylContact O-C 3.59Å; D165-G198 WeakPolarHBondContact O-CA 3.27Å; S195-G198 PolarHBondContact O-N 3.23Å; G198-S249 WeakPolarHBondContact O-CB 3.26Å; G198-S249 PolarHBondContact O-OG 3.14Å |
| 199 | V | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 133.9 | 179.8 | -172.4 | 0 | 0 | 0 | 0 | 109.8 | P84 L87 H88 D165 V166 I167 V247 L254 | P84-V199 HydrophobicContact CB-CB 4.21Å; P84-V199 HydrophobicContact CB-CG1 3.82Å; L87-V199 HydrophobicContact CB-CG1 4.2Å; L87-V199 HydrophobicContact CB-CG2 3.94Å; L87-V199 HydrophobicContact CD1-CG1 4.27Å; H88-V199 HydrophobicContact CB-CG2 4.49Å; D165-V199 PolarHBondContact O-N 3.1Å; V166-V199 CarbonylContact C-O 3.5Å; V166-V199 VanDerWaalsContact CA-O 3.29Å; V166-V199 WeakPolarHBondContact CA-O 3.01Å; I167-V199 PolarHBondContact N-O 3.34Å; V199-V247 HydrophobicContact CG1-CG1 3.81Å; V199-L254 HydrophobicContact CG2-CD2 4.03Å |
| 200 | I | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 142.7 | 169.6 | -70.5 | 155.7 | 0 | 0 | 0 | 108.9 | I167 L190 L194 F225 V247 C248 | I167-I200 HydrophobicContact CB-CG1 4.16Å; I167-I200 CarbonylContact O-C 3.48Å; I167-I200 VanDerWaalsContact O-CA 3.25Å; I167-I200 WeakPolarHBondContact O-CA 3.31Å; L190-I200 HydrophobicContact CB-CD1 3.58Å; L190-I200 HydrophobicContact CB-CG1 4.35Å; L190-I200 HydrophobicContact CD1-CD1 4.12Å; L190-I200 HydrophobicContact CD1-CG1 4.49Å; L190-I200 HydrophobicContact CD1-CG2 4.12Å; L194-I200 HydrophobicContact CD1-CD1 3.6Å; L194-I200 HydrophobicContact CD1-CG1 3.86Å; L194-I200 HydrophobicContact CD2-CG1 4.02Å; L194-I200 HydrophobicContact CG-CD1 4.17Å; L194-I200 HydrophobicContact CG-CG1 4.17Å; I200-F225 HydrophobicContact CD1-CE1 3.55Å; I200-F225 HydrophobicContact CD1-CE2 4Å; I200-F225 HydrophobicContact CD1-CZ 3.21Å; I200-V247 VanDerWaalsContact O-CA 3.28Å; I200-V247 WeakPolarHBondContact O-CA 3.39Å; I200-C248 HydrophobicContact CB-CB 4.13Å; I200-C248 PolarHBondContact N-O 3.37Å; I200-C248 PolarHBondContact O-N 2.82Å |
| 201 | M | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 131.8 | 164.4 | -174.4 | 74.8 | 144.6 | 0 | 0 | 108.5 | M79 M80 I83 P84 I167 I168 T169 H245 V247 | M79-M201 WeakPolarHBondContact O-CE 3.26Å; M80-M201 HydrophobicContact CG-CG 4.46Å; M80-M201 HydrophobicContact SD-CB 4.26Å; M80-M201 HydrophobicContact SD-CE 4.43Å; M80-M201 HydrophobicContact SD-CG 3.32Å; M80-M201 WeakPolarHBondContact SD-CG 3.33Å; I83-M201 HydrophobicContact CB-CE 3.76Å; I83-M201 HydrophobicContact CD1-CE 3.83Å; I83-M201 HydrophobicContact CG1-CE 4.28Å; I83-M201 HydrophobicContact CG2-CE 4Å; I83-M201 HydrophobicContact CG2-SD 4.26Å; P84-M201 HydrophobicContact CB-CB 4.07Å; P84-M201 HydrophobicContact CG-CB 3.7Å; P84-M201 HydrophobicContact CG-CG 4.27Å; I167-M201 PolarHBondContact O-N 2.81Å; I168-M201 CarbonylContact C-O 3.54Å; I168-M201 VanDerWaalsContact CA-O 3.25Å; I168-M201 WeakPolarHBondContact CA-O 3.48Å; I168-M201 HydrophobicContact CG1-CB 4.36Å; T169-M201 PolarHBondContact N-O 2.87Å; M201-H245 HydrophobicContact CE-CB 3.33Å; M201-H245 HydrophobicContact CG-CB 4.32Å; M201-H245 HydrophobicContact SD-CB 3.53Å; M201-H245 VanDerWaalsContact SD-CB 3.53Å; M201-V247 HydrophobicContact SD-CG2 3.58Å; M201-V247 VanDerWaalsContact SD-CG2 3.58Å |
| 202 | T | 97.6 | Very high | 96.4 | Very high | 6 Ų | 6 | 38.6 Ų | 38.6 | 4% | 0.037 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 140.6 | 178 | -63.3 | 0 | 0 | 0 | 0 | 109.2 | T169 Y187 A204 H245 L246 | T169-T202 WeakPolarHBondContact CB-OG1 3.43Å; T169-T202 HydrophobicContact CG2-CG2 4.1Å; T169-T202 PolarHBondContact OG1-OG1 3.03Å; Y187-T202 VanDerWaalsContact OH-CG2 3.25Å; Y187-T202 WeakPolarHBondContact OH-CG2 3.45Å; T202-A204 PolarHBondContact O-N 2.89Å; T202-H245 CarbonylContact O-C 3.52Å; T202-H245 WeakPolarHBondContact O-CA 3.44Å; T202-L246 PolarHBondContact N-O 2.76Å; T202-L246 PolarHBondContact O-N 3.26Å |
| 203 | Q | 95.7 | Very high | 96.2 | Very high | 15 Ų | 15 | 33.9 Ų | 33.9 | 7% | 0.07 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -49.8 | 136.7 | 164.7 | -172.6 | -81.7 | 13.6 | 0 | 0 | 109.3 | M80 T169 E205 I243 | M80-Q203 HydrophobicContact CE-CB 3.98Å; T169-Q203 PolarHBondContact O-N 3.46Å; T169-Q203 VanDerWaalsContact O-N 3.14Å; Q203-E205 VanDerWaalsContact NE2-CD 3.3Å; Q203-E205 PolarHBondContact NE2-OE1 3.42Å; Q203-E205 PolarHBondContact OE1-OE1 2.82Å; Q203-I243 HydrophobicContact CG-CD1 3.88Å; Q203-I243 HydrophobicContact CG-CG1 4.44Å |
| 204 | A | 95.4 | Very high | 96 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 2% | 0.017 | 16% | 0.159 | C | C | . | . | trans | -144.4 | 40.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | T202 I214 L217 Y230 G244 L246 | T202-A204 PolarHBondContact O-N 2.89Å; A204-I214 VanDerWaalsContact O-CG1 3.26Å; A204-I214 WeakPolarHBondContact O-CG1 3.5Å; A204-L217 HydrophobicContact CB-CD2 3.77Å; A204-Y230 HydrophobicContact CB-CD2 4.1Å; A204-Y230 HydrophobicContact CB-CE2 3.66Å; A204-Y230 VanDerWaalsContact O-CE2 3.3Å; A204-Y230 WeakPolarHBondContact O-CE2 3.39Å; A204-Y230 PolarHBondContact O-OH 3.13Å; A204-G244 PolarHBondContact N-O 3.35Å; A204-L246 HydrophobicContact CB-CB 3.92Å | ||
| 205 | E | 94.6 | Very high | 95.9 | Very high | 11 Ų | 11 | 33.9 Ų | 33.9 | 5% | 0.051 | 16% | 0.16 | C | C | . | . | trans | 54.3 | 176 | 169.4 | -66.6 | -50.7 | 143.5 | 0 | 0 | 118.3 | L23 Q203 H210 L213 I214 Y230 G244 | L23-E205 HydrophobicContact CD2-CG 4.26Å; Q203-E205 VanDerWaalsContact NE2-CD 3.3Å; Q203-E205 PolarHBondContact NE2-OE1 3.42Å; Q203-E205 PolarHBondContact OE1-OE1 2.82Å; E205-H210 HydrophobicContact CB-CB 3.63Å; E205-H210 HydrophobicContact CG-CB 4.1Å; E205-H210 IonicContact OE2-CE1 3.85Å; E205-H210 PolarHBondContact OE2-CE1 2.75Å; E205-H210 VanDerWaalsContact OE2-CE1 3.31Å; E205-H210 IonicContact OE2-CG 3.54Å; E205-H210 IonicContact OE2-ND1 2.66Å; E205-H210 PolarHBondContact OE2-ND1 2.9Å; E205-L213 HydrophobicContact CG-CD2 3.65Å; E205-I214 HydrophobicContact CB-CD1 4.36Å; E205-I214 HydrophobicContact CB-CG1 4.14Å; E205-Y230 PolarHBondContact O-OH 3.07Å; E205-G244 VanDerWaalsContact O-CA 3.26Å; E205-G244 WeakPolarHBondContact O-CA 3.39Å; E205-G244 PolarHBondContact O-N 3.1Å | ||
| 206 | S | 95.4 | Very high | 95.7 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 3% | 0.028 | 17% | 0.171 | C | C | . | . | trans | -84.9 | 131.3 | 179.1 | 177 | 0 | 0 | 0 | 0 | 113.8 | W208 L209 H210 S240 V242 | S206-W208 PolarHBondContact O-N 3.03Å; S206-W208 VanDerWaalsContact O-N 3.16Å; S206-W208 PolarHBondContact OG-N 3.2Å; S206-L209 PolarHBondContact O-N 3.17Å; S206-H210 PolarHBondContact O-N 3.37Å; S206-S240 PolarHBondContact OG-OG 2.85Å; S206-V242 VanDerWaalsContact CB-O 3.29Å; S206-V242 WeakPolarHBondContact CB-O 3.29Å; S206-V242 PolarHBondContact OG-O 3.12Å | ||
| 207 | I | 96.8 | Very high | 95.7 | Very high | 3 Ų | 3 | 28.9 Ų | 28.9 | 2% | 0.015 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -18.1 | 169.5 | 60.7 | 175.5 | 0 | 0 | 0 | 114.2 | M211 I214 Y230 P284 F286 A287 | I207-M211 HydrophobicContact CB-SD 3.83Å; I207-M211 HydrophobicContact CG2-SD 4.01Å; I207-M211 WeakPolarHBondContact O-CG 3.43Å; I207-I214 HydrophobicContact CG2-CD1 4.27Å; I207-Y230 HydrophobicContact CG2-CD1 4.38Å; I207-Y230 HydrophobicContact CG2-CE1 3.33Å; I207-Y230 WeakPolarHBondContact CG2-OH 3.33Å; I207-P284 HydrophobicContact CD1-CG 3.99Å; I207-F286 HydrophobicContact CB-CZ 4.4Å; I207-F286 HydrophobicContact CD1-CZ 4.2Å; I207-F286 HydrophobicContact CG1-CZ 4.29Å; I207-F286 WeakPolarHBondContact O-CE2 3.1Å; I207-A287 HydrophobicContact CB-CB 4.22Å; I207-A287 HydrophobicContact CD1-CB 4.37Å; I207-A287 HydrophobicContact CG2-CB 4.16Å |
| 208 | W | 95.7 | Very high | 95.7 | Very high | 156 Ų | 156 | 23.7 Ų | 23.7 | 59% | 0.591 | 11% | 0.112 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -20.5 | 179.1 | -69.8 | 106 | 0 | 0 | 0 | 112.9 | S206 F286 | S206-W208 PolarHBondContact O-N 3.03Å; S206-W208 VanDerWaalsContact O-N 3.16Å; S206-W208 PolarHBondContact OG-N 3.2Å; W208-F286 HydrophobicContact CD2-CZ 4.43Å; W208-F286 HydrophobicContact CE3-CZ 4.27Å; W208-F286 HydrophobicContact CH2-CE1 4.19Å; W208-F286 HydrophobicContact CZ2-CE1 4.49Å; W208-F286 HydrophobicContact CZ3-CE1 4.25Å; W208-F286 HydrophobicContact CZ3-CZ 4.36Å |
| 209 | L | 94.2 | Very high | 95.6 | Very high | 46 Ų | 46 | 29.8 Ų | 29.8 | 24% | 0.241 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.7 | -38.7 | -165.4 | -58.4 | 169.8 | 0 | 0 | 0 | 112.1 | W25 Q28 S206 P239 | W25-L209 HydrophobicContact CB-CD1 3.86Å; W25-L209 HydrophobicContact CB-CD2 4Å; W25-L209 HydrophobicContact CB-CG 4.39Å; Q28-L209 VanDerWaalsContact NE2-CD2 3.32Å; S206-L209 PolarHBondContact O-N 3.17Å; L209-P239 HydrophobicContact CD1-CB 3.53Å |
| 210 | H | 93.9 | Very high | 95.4 | Very high | 5 Ų | 5 | 31 Ų | 31 | 2% | 0.023 | 14% | 0.141 | C | C | . | . | trans | -122.2 | 27.9 | -161.4 | -50.5 | 141 | 0 | 0 | 0 | 113 | L22 L23 W25 E205 S206 D212 L213 I214 | L22-H210 PolarHBondContact O-CD2 3.3Å; L23-H210 PolarHBondContact O-NE2 3.23Å; W25-H210 AromaticContact CE3-CE1 3.94Å; W25-H210 AromaticContact CE3-NE2 3.78Å; E205-H210 HydrophobicContact CB-CB 3.63Å; E205-H210 HydrophobicContact CG-CB 4.1Å; E205-H210 IonicContact OE2-CE1 3.85Å; E205-H210 PolarHBondContact OE2-CE1 2.75Å; E205-H210 VanDerWaalsContact OE2-CE1 3.31Å; E205-H210 IonicContact OE2-CG 3.54Å; E205-H210 IonicContact OE2-ND1 2.66Å; E205-H210 PolarHBondContact OE2-ND1 2.9Å; S206-H210 PolarHBondContact O-N 3.37Å; H210-D212 PolarHBondContact O-N 2.99Å; H210-D212 VanDerWaalsContact O-N 3.12Å; H210-L213 HydrophobicContact CB-CB 4.4Å; H210-L213 WeakPolarHBondContact O-CB 3.37Å; H210-L213 PolarHBondContact O-N 2.86Å; H210-I214 VanDerWaalsContact O-CG1 3.31Å; H210-I214 WeakPolarHBondContact O-CG1 3.45Å; H210-I214 PolarHBondContact O-N 3.24Å | ||
| 211 | M | 94.4 | Very high | 95.3 | Very high | 25 Ų | 25 | 31 Ų | 31 | 12% | 0.123 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -55.3 | -33.3 | -174.7 | -79.5 | -59.8 | -54.1 | 0 | 0 | 114.9 | I207 I214 S215 F286 A287 T290 L291 | I207-M211 HydrophobicContact CB-SD 3.83Å; I207-M211 HydrophobicContact CG2-SD 4.01Å; I207-M211 WeakPolarHBondContact O-CG 3.43Å; M211-I214 HydrophobicContact SD-CD1 4.21Å; M211-S215 VanDerWaalsContact O-CB 3.3Å; M211-S215 WeakPolarHBondContact O-CB 3.34Å; M211-S215 PolarHBondContact O-N 3.21Å; M211-S215 PolarHBondContact O-OG 3.07Å; M211-F286 HydrophobicContact CG-CE2 4.41Å; M211-F286 HydrophobicContact SD-CE2 4.49Å; M211-A287 HydrophobicContact CE-CB 4.3Å; M211-A287 HydrophobicContact SD-CB 4.16Å; M211-T290 HydrophobicContact CE-CG2 3.44Å; M211-T290 VanDerWaalsContact CE-CG2 3.44Å; M211-L291 HydrophobicContact CE-CD2 3.87Å; M211-L291 HydrophobicContact CE-CG 4.08Å |
| 212 | D | 93 | Very high | 95.2 | Very high | 109 Ų | 109 | 35.3 Ų | 35.3 | 58% | 0.583 | 16% | 0.16 | S | C | * | . | H | α-helix | trans | -68.4 | -42.3 | 176.3 | -72.5 | -23.7 | 0 | 0 | 0 | 111.4 | L22 H210 S215 Q216 | L22-D212 HydrophobicContact CD2-CB 3.91Å; H210-D212 PolarHBondContact O-N 2.99Å; H210-D212 VanDerWaalsContact O-N 3.12Å; D212-S215 PolarHBondContact O-N 3.48Å; D212-Q216 WeakPolarHBondContact O-CG 3.33Å; D212-Q216 PolarHBondContact O-N 2.88Å |
| 213 | L | 92.1 | Very high | 95.1 | Very high | 6 Ų | 6 | 39.9 Ų | 39.9 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.9 | -44.9 | 174.8 | -170.3 | 72.1 | 0 | 0 | 0 | 111.1 | L22 L23 P174 F182 E205 H210 S215 Q216 L217 | L22-L213 HydrophobicContact CB-CB 4.07Å; L22-L213 HydrophobicContact CB-CD1 4.32Å; L22-L213 HydrophobicContact CD1-CB 4.44Å; L22-L213 HydrophobicContact CD1-CD1 4.15Å; L23-L213 HydrophobicContact CD2-CD2 3.49Å; L23-L213 VanDerWaalsContact CD2-CD2 3.49Å; L23-L213 HydrophobicContact CG-CD2 4.37Å; P174-L213 HydrophobicContact CG-CD2 4.07Å; F182-L213 HydrophobicContact CE2-CD1 4.08Å; F182-L213 HydrophobicContact CE2-CG 4.41Å; F182-L213 HydrophobicContact CZ-CD1 3.8Å; F182-L213 HydrophobicContact CZ-CG 4.49Å; E205-L213 HydrophobicContact CG-CD2 3.65Å; H210-L213 HydrophobicContact CB-CB 4.4Å; H210-L213 WeakPolarHBondContact O-CB 3.37Å; H210-L213 PolarHBondContact O-N 2.86Å; L213-S215 VanDerWaalsContact C-N 3.25Å; L213-S215 PolarHBondContact O-N 2.68Å; L213-Q216 WeakPolarHBondContact O-CB 3.22Å; L213-Q216 PolarHBondContact O-N 2.94Å; L213-Q216 VanDerWaalsContact O-N 3.12Å; L213-L217 PolarHBondContact O-N 3.22Å |
| 214 | I | 95.3 | Very high | 95.2 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.8 | -42.8 | 177.8 | -62 | 167.9 | 0 | 0 | 0 | 109.9 | A204 E205 I207 H210 M211 Q216 L217 V218 Y230 L291 | A204-I214 VanDerWaalsContact O-CG1 3.26Å; A204-I214 WeakPolarHBondContact O-CG1 3.5Å; E205-I214 HydrophobicContact CB-CD1 4.36Å; E205-I214 HydrophobicContact CB-CG1 4.14Å; I207-I214 HydrophobicContact CG2-CD1 4.27Å; H210-I214 VanDerWaalsContact O-CG1 3.31Å; H210-I214 WeakPolarHBondContact O-CG1 3.45Å; H210-I214 PolarHBondContact O-N 3.24Å; M211-I214 HydrophobicContact SD-CD1 4.21Å; I214-Q216 PolarHBondContact O-N 2.75Å; I214-L217 WeakPolarHBondContact O-CB 3.47Å; I214-L217 PolarHBondContact O-N 3.31Å; I214-V218 HydrophobicContact CG2-CG2 4.4Å; I214-V218 WeakPolarHBondContact O-CB 3.27Å; I214-V218 WeakPolarHBondContact O-CG2 3.25Å; I214-V218 PolarHBondContact O-N 2.92Å; I214-Y230 HydrophobicContact CB-CE2 4.46Å; I214-Y230 HydrophobicContact CD1-CE2 4.09Å; I214-Y230 WeakPolarHBondContact CD1-OH 3.42Å; I214-Y230 HydrophobicContact CG1-CE2 4.21Å; I214-Y230 HydrophobicContact CG2-CD2 3.61Å; I214-Y230 HydrophobicContact CG2-CE2 3.39Å; I214-Y230 HydrophobicContact CG2-CG 4.46Å; I214-L291 HydrophobicContact CB-CD2 4.46Å; I214-L291 HydrophobicContact CG2-CD1 4.24Å; I214-L291 HydrophobicContact CG2-CD2 3.67Å |
| 215 | S | 96.2 | Very high | 95.3 | Very high | 7 Ų | 7 | 39.9 Ų | 39.9 | 5% | 0.049 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.4 | -37.7 | 178.2 | -63.3 | 0 | 0 | 0 | 0 | 112.2 | M211 D212 L213 R219 T290 | M211-S215 VanDerWaalsContact O-CB 3.3Å; M211-S215 WeakPolarHBondContact O-CB 3.34Å; M211-S215 PolarHBondContact O-N 3.21Å; M211-S215 PolarHBondContact O-OG 3.07Å; D212-S215 PolarHBondContact O-N 3.48Å; L213-S215 VanDerWaalsContact C-N 3.25Å; L213-S215 PolarHBondContact O-N 2.68Å; S215-R219 WeakPolarHBondContact O-CB 3.2Å; S215-R219 WeakPolarHBondContact O-CG 3.33Å; S215-R219 PolarHBondContact O-N 3.29Å; S215-T290 WeakPolarHBondContact OG-CG2 3.25Å |
| 216 | Q | 93.8 | Very high | 95.4 | Very high | 85 Ų | 85 | 42.5 Ų | 42.5 | 40% | 0.397 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.5 | -43.9 | 172.3 | -70.7 | 177.4 | 26.4 | 0 | 0 | 111.6 | L22 D212 L213 I214 R219 I220 | L22-Q216 VanDerWaalsContact CD1-NE2 3.3Å; D212-Q216 WeakPolarHBondContact O-CG 3.33Å; D212-Q216 PolarHBondContact O-N 2.88Å; L213-Q216 WeakPolarHBondContact O-CB 3.22Å; L213-Q216 PolarHBondContact O-N 2.94Å; L213-Q216 VanDerWaalsContact O-N 3.12Å; I214-Q216 PolarHBondContact O-N 2.75Å; Q216-R219 WeakPolarHBondContact O-CB 3.09Å; Q216-R219 PolarHBondContact O-N 3.45Å; Q216-I220 VanDerWaalsContact O-CG1 3.32Å; Q216-I220 WeakPolarHBondContact O-CG1 3.34Å; Q216-I220 PolarHBondContact O-N 3.08Å |
| 217 | L | 94.6 | Very high | 95.6 | Very high | 9 Ų | 9 | 43.1 Ų | 43.1 | 5% | 0.047 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.4 | -46.2 | 177.9 | -172.1 | 61.9 | 0 | 0 | 0 | 111.9 | F182 Y187 A204 L213 I214 R219 I220 C221 L246 | F182-L217 HydrophobicContact CD2-CD1 4.09Å; F182-L217 HydrophobicContact CE2-CB 4.23Å; F182-L217 HydrophobicContact CE2-CD1 3.69Å; F182-L217 HydrophobicContact CE2-CG 4.48Å; F182-L217 HydrophobicContact CZ-CD1 4.49Å; Y187-L217 HydrophobicContact CE2-CD1 3.55Å; Y187-L217 WeakPolarHBondContact OH-CD1 3.34Å; A204-L217 HydrophobicContact CB-CD2 3.77Å; L213-L217 PolarHBondContact O-N 3.22Å; I214-L217 WeakPolarHBondContact O-CB 3.47Å; I214-L217 PolarHBondContact O-N 3.31Å; L217-R219 PolarHBondContact O-N 2.98Å; L217-I220 PolarHBondContact O-N 2.88Å; L217-C221 WeakPolarHBondContact O-CB 3.08Å; L217-C221 PolarHBondContact O-N 3.03Å; L217-C221 PolarHBondContact O-SG 2.75Å; L217-L246 HydrophobicContact CD2-CB 4.43Å; L217-L246 HydrophobicContact CD2-CD2 4.04Å; L217-L246 HydrophobicContact CG-CD2 3.79Å |
| 218 | V | 96.4 | Very high | 95.6 | Very high | 6 Ų | 6 | 44.8 Ų | 44.8 | 4% | 0.036 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.6 | -44.6 | 176 | 169.4 | 0 | 0 | 0 | 0 | 110.9 | I214 C221 K222 L246 L291 A294 | I214-V218 HydrophobicContact CG2-CG2 4.4Å; I214-V218 WeakPolarHBondContact O-CB 3.27Å; I214-V218 WeakPolarHBondContact O-CG2 3.25Å; I214-V218 PolarHBondContact O-N 2.92Å; V218-C221 PolarHBondContact O-N 3.17Å; V218-K222 HydrophobicContact CG1-CD 3.97Å; V218-K222 HydrophobicContact CG1-CG 4.31Å; V218-K222 WeakPolarHBondContact O-CB 3.28Å; V218-K222 WeakPolarHBondContact O-CG 3.44Å; V218-K222 PolarHBondContact O-N 2.92Å; V218-L246 HydrophobicContact CG2-CD1 3.89Å; V218-L246 HydrophobicContact CG2-CD2 4.33Å; V218-L291 HydrophobicContact CG2-CD2 4.28Å; V218-A294 HydrophobicContact CB-CB 4.28Å; V218-A294 HydrophobicContact CG1-CB 4.02Å |
| 219 | R | 96.1 | Very high | 95.6 | Very high | 128 Ų | 128 | 38 Ų | 38 | 48% | 0.483 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -57.5 | -50.6 | 175.1 | -80.3 | -177.2 | -134.1 | -97.6 | 11.2 | 111.8 | S215 Q216 L217 C221 K222 T223 N293 A294 | S215-R219 WeakPolarHBondContact O-CB 3.2Å; S215-R219 WeakPolarHBondContact O-CG 3.33Å; S215-R219 PolarHBondContact O-N 3.29Å; Q216-R219 WeakPolarHBondContact O-CB 3.09Å; Q216-R219 PolarHBondContact O-N 3.45Å; L217-R219 PolarHBondContact O-N 2.98Å; R219-C221 VanDerWaalsContact C-N 3.33Å; R219-C221 PolarHBondContact O-N 3.22Å; R219-K222 PolarHBondContact O-N 2.9Å; R219-T223 WeakPolarHBondContact O-CG2 3.48Å; R219-T223 PolarHBondContact O-N 2.76Å; R219-N293 PolarHBondContact NH1-O 3.45Å; R219-A294 HydrophobicContact CG-CB 4.33Å; R219-A294 WeakPolarHBondContact CG-O 3.27Å; R219-A294 PolarHBondContact NH1-O 2.81Å |
| 220 | I | 94.9 | Very high | 95.9 | Very high | 26 Ų | 26 | 36.5 Ų | 36.5 | 13% | 0.133 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -54.4 | -52.1 | 177.3 | -73.1 | 162.7 | 0 | 0 | 0 | 109.9 | F182 V184 Y187 Q216 L217 K222 T223 | F182-I220 HydrophobicContact CE1-CD1 3.95Å; F182-I220 HydrophobicContact CZ-CD1 4.1Å; V184-I220 HydrophobicContact CB-CG2 4.43Å; V184-I220 HydrophobicContact CG2-CB 4.41Å; V184-I220 HydrophobicContact CG2-CG1 4.15Å; V184-I220 HydrophobicContact CG2-CG2 3.87Å; Y187-I220 HydrophobicContact CD2-CG2 3.67Å; Y187-I220 HydrophobicContact CE2-CG2 4.28Å; Y187-I220 HydrophobicContact CG-CG2 4.37Å; Q216-I220 VanDerWaalsContact O-CG1 3.32Å; Q216-I220 WeakPolarHBondContact O-CG1 3.34Å; Q216-I220 PolarHBondContact O-N 3.08Å; L217-I220 PolarHBondContact O-N 2.88Å; I220-K222 PolarHBondContact O-N 2.81Å; I220-T223 PolarHBondContact O-N 2.98Å; I220-T223 VanDerWaalsContact O-N 3.12Å; I220-T223 PolarHBondContact O-OG1 3.4Å |
| 221 | C | 97 | Very high | 96.1 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.3 | -37.8 | -176.7 | -66.1 | 0 | 0 | 0 | 0 | 112.7 | Y187 L217 V218 R219 T223 V224 F225 T228 L246 | Y187-C221 VanDerWaalsContact CD1-SG 3.6Å; Y187-C221 WeakPolarHBondContact CE1-SG 3.49Å; Y187-C221 VanDerWaalsContact CZ-SG 3.58Å; L217-C221 WeakPolarHBondContact O-CB 3.08Å; L217-C221 PolarHBondContact O-N 3.03Å; L217-C221 PolarHBondContact O-SG 2.75Å; V218-C221 PolarHBondContact O-N 3.17Å; R219-C221 VanDerWaalsContact C-N 3.33Å; R219-C221 PolarHBondContact O-N 3.22Å; C221-T223 PolarHBondContact O-N 2.85Å; C221-V224 PolarHBondContact O-N 2.85Å; C221-F225 HydrophobicContact CB-CD2 4.45Å; C221-F225 PolarHBondContact O-N 3.32Å; C221-T228 HydrophobicContact CB-CG2 3.78Å; C221-L246 HydrophobicContact CB-CD2 3.87Å; C221-L246 WeakPolarHBondContact SG-CD2 3.42Å |
| 222 | K | 96.1 | Very high | 96.2 | Very high | 90 Ų | 90 | 38 Ų | 38 | 39% | 0.391 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.2 | -24.7 | 175.2 | -77 | 179.3 | -179.7 | 174.3 | 0 | 113.3 | V218 R219 I220 V224 T228 A294 | V218-K222 HydrophobicContact CG1-CD 3.97Å; V218-K222 HydrophobicContact CG1-CG 4.31Å; V218-K222 WeakPolarHBondContact O-CB 3.28Å; V218-K222 WeakPolarHBondContact O-CG 3.44Å; V218-K222 PolarHBondContact O-N 2.92Å; R219-K222 PolarHBondContact O-N 2.9Å; I220-K222 PolarHBondContact O-N 2.81Å; K222-V224 VanDerWaalsContact C-N 3.27Å; K222-T228 HydrophobicContact CG-CG2 3.98Å; K222-T228 WeakPolarHBondContact CG-OG1 3.48Å; K222-A294 PolarHBondContact NZ-OXT 2.86Å |
| 223 | T | 96.2 | Very high | 96.5 | Very high | 103 Ų | 103 | 32.8 Ų | 32.8 | 63% | 0.632 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -74.4 | -18.3 | 172.4 | 69.1 | 0 | 0 | 0 | 0 | 113.5 | R219 I220 C221 | R219-T223 WeakPolarHBondContact O-CG2 3.48Å; R219-T223 PolarHBondContact O-N 2.76Å; I220-T223 PolarHBondContact O-N 2.98Å; I220-T223 VanDerWaalsContact O-N 3.12Å; I220-T223 PolarHBondContact O-OG1 3.4Å; C221-T223 PolarHBondContact O-N 2.85Å |
| 224 | V | 97.5 | Very high | 96.8 | Very high | 11 Ų | 11 | 36.7 Ų | 36.7 | 7% | 0.067 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -108.5 | -38.5 | -173 | -178.1 | 0 | 0 | 0 | 0 | 111.6 | V184 Q188 K191 C221 K222 | V184-V224 HydrophobicContact CG1-CG2 4.12Å; Q188-V224 HydrophobicContact CG-CG1 4.37Å; Q188-V224 HydrophobicContact CG-CG2 4.1Å; K191-V224 HydrophobicContact CB-CG1 3.97Å; K191-V224 HydrophobicContact CD-CG1 3.71Å; K191-V224 WeakPolarHBondContact CD-O 3.39Å; K191-V224 WeakPolarHBondContact CE-O 3.45Å; K191-V224 HydrophobicContact CG-CG1 4.46Å; K191-V224 PolarHBondContact NZ-O 3.28Å; C221-V224 PolarHBondContact O-N 2.85Å; K222-V224 VanDerWaalsContact C-N 3.27Å |
| 225 | F | 97.9 | Very high | 96.9 | Very high | 5 Ų | 5 | 36.7 Ų | 36.7 | 2% | 0.022 | 19% | 0.188 | C | C | . | . | trans | -120.3 | 137.2 | -172 | -58.7 | -79.7 | 0 | 0 | 0 | 112 | Y187 K191 L194 I200 C221 V227 T228 C248 V250 | Y187-F225 AromaticContact CD1-CE2 3.94Å; Y187-F225 HydrophobicContact CD1-CE2 3.94Å; Y187-F225 HydrophobicContact CG-CE2 4.45Å; Y187-F225 WeakPolarHBondContact O-CZ 3.47Å; K191-F225 HydrophobicContact CB-CE1 3.55Å; K191-F225 HydrophobicContact CB-CZ 3.7Å; K191-F225 HydrophobicContact CD-CD1 4.49Å; K191-F225 HydrophobicContact CD-CE1 4.24Å; K191-F225 HydrophobicContact CG-CD1 4.47Å; K191-F225 HydrophobicContact CG-CE1 3.85Å; K191-F225 HydrophobicContact CG-CZ 4.46Å; L194-F225 HydrophobicContact CD1-CE1 3.98Å; I200-F225 HydrophobicContact CD1-CE1 3.55Å; I200-F225 HydrophobicContact CD1-CE2 4Å; I200-F225 HydrophobicContact CD1-CZ 3.21Å; C221-F225 HydrophobicContact CB-CD2 4.45Å; C221-F225 PolarHBondContact O-N 3.32Å; F225-V227 VanDerWaalsContact C-N 3.31Å; F225-T228 HydrophobicContact CB-CG2 4.46Å; F225-C248 HydrophobicContact CB-CB 4.11Å; F225-C248 HydrophobicContact CD1-CB 4.19Å; F225-C248 HydrophobicContact CD2-CB 3.6Å; F225-C248 HydrophobicContact CE2-CB 4.04Å; F225-C248 HydrophobicContact CG-CB 3.7Å; F225-V250 HydrophobicContact CD1-CG1 4.1Å; F225-V250 HydrophobicContact CE1-CG1 4.25Å | ||
| 226 | P | 96.9 | Very high | 97 | Very high | 66 Ų | 66 | 39.9 Ų | 39.9 | 43% | 0.429 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -68.8 | -28.5 | 174.2 | 27.9 | -35.6 | 0 | 0 | 0 | 113.1 | S249 E252 | P226-S249 VanDerWaalsContact CD-O 3.27Å; P226-S249 WeakPolarHBondContact CD-O 3.16Å; P226-E252 HydrophobicContact CB-CB 4.44Å; P226-E252 HydrophobicContact CB-CG 3.7Å; P226-E252 HydrophobicContact CG-CG 3.7Å |
| 227 | V | 97.8 | Very high | 97.1 | Very high | 18 Ų | 18 | 35.8 Ų | 35.8 | 11% | 0.109 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 126.2 | 177.2 | 176.4 | 0 | 0 | 0 | 0 | 109.5 | F225 C248 S249 N251 L254 | F225-V227 VanDerWaalsContact C-N 3.31Å; V227-C248 VanDerWaalsContact O-CA 3.31Å; V227-C248 WeakPolarHBondContact O-CA 3.34Å; V227-S249 PolarHBondContact N-O 3.28Å; V227-S249 PolarHBondContact O-N 2.97Å; V227-S249 VanDerWaalsContact O-N 3.1Å; V227-N251 VanDerWaalsContact CG2-O 3.24Å; V227-N251 WeakPolarHBondContact CG2-O 3.39Å; V227-L254 HydrophobicContact CG2-CB 4.47Å |
| 228 | T | 97.2 | Very high | 97.1 | Very high | 38 Ų | 38 | 36.7 Ų | 36.7 | 23% | 0.233 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 140.1 | 169 | 57 | 0 | 0 | 0 | 0 | 109.4 | C221 K222 F225 V247 | C221-T228 HydrophobicContact CB-CG2 3.78Å; K222-T228 HydrophobicContact CG-CG2 3.98Å; K222-T228 WeakPolarHBondContact CG-OG1 3.48Å; F225-T228 HydrophobicContact CB-CG2 4.46Å; T228-V247 CarbonylContact C-O 3.55Å; T228-V247 VanDerWaalsContact CA-O 3.27Å; T228-V247 WeakPolarHBondContact CA-O 3.33Å |
| 229 | G | 97.2 | Very high | 97 | Very high | 14 Ų | 14 | 37.7 Ų | 37.7 | 14% | 0.144 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 119 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V247 | G229-V247 PolarHBondContact N-O 3.42Å; G229-V247 PolarHBondContact O-N 2.79Å |
| 230 | Y | 98.4 | Very high | 96.9 | Very high | 14 Ų | 14 | 33.8 Ų | 33.8 | 6% | 0.055 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 132.4 | 175.9 | -174 | -86.3 | 0 | 0 | 0 | 110.4 | A204 E205 I207 I214 G244 H245 F281 L283 L291 | A204-Y230 HydrophobicContact CB-CD2 4.1Å; A204-Y230 HydrophobicContact CB-CE2 3.66Å; A204-Y230 VanDerWaalsContact O-CE2 3.3Å; A204-Y230 WeakPolarHBondContact O-CE2 3.39Å; A204-Y230 PolarHBondContact O-OH 3.13Å; E205-Y230 PolarHBondContact O-OH 3.07Å; I207-Y230 HydrophobicContact CG2-CD1 4.38Å; I207-Y230 HydrophobicContact CG2-CE1 3.33Å; I207-Y230 WeakPolarHBondContact CG2-OH 3.33Å; I214-Y230 HydrophobicContact CB-CE2 4.46Å; I214-Y230 HydrophobicContact CD1-CE2 4.09Å; I214-Y230 WeakPolarHBondContact CD1-OH 3.42Å; I214-Y230 HydrophobicContact CG1-CE2 4.21Å; I214-Y230 HydrophobicContact CG2-CD2 3.61Å; I214-Y230 HydrophobicContact CG2-CE2 3.39Å; I214-Y230 HydrophobicContact CG2-CG 4.46Å; Y230-G244 WeakPolarHBondContact OH-CA 3.2Å; Y230-H245 WeakPolarHBondContact CA-O 3.43Å; Y230-F281 WeakPolarHBondContact O-CD1 3.5Å; Y230-L283 HydrophobicContact CD1-CD1 3.99Å; Y230-L283 HydrophobicContact CD1-CD2 3.8Å; Y230-L283 HydrophobicContact CE1-CD2 4.3Å; Y230-L291 HydrophobicContact CD1-CD1 3.9Å; Y230-L291 HydrophobicContact CD2-CD1 4.29Å; Y230-L291 HydrophobicContact CG-CD1 3.68Å |
| 231 | C | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 168.6 | 171.1 | 61.2 | 0 | 0 | 0 | 0 | 110.4 | G244 H245 A280 F281 | C231-G244 CarbonylContact O-C 3.53Å; C231-G244 VanDerWaalsContact O-CA 3.28Å; C231-G244 WeakPolarHBondContact O-CA 3.32Å; C231-H245 PolarHBondContact N-O 2.81Å; C231-H245 PolarHBondContact O-N 2.86Å; C231-A280 WeakPolarHBondContact CA-O 3.37Å; C231-A280 HydrophobicContact CB-CB 3.88Å; C231-A280 WeakPolarHBondContact CB-O 3.34Å; C231-F281 HydrophobicContact CB-CD1 3.7Å; C231-F281 HydrophobicContact CB-CD2 4.05Å; C231-F281 HydrophobicContact CB-CE1 3.63Å; C231-F281 HydrophobicContact CB-CE2 3.96Å; C231-F281 HydrophobicContact CB-CG 3.9Å; C231-F281 HydrophobicContact CB-CZ 3.76Å |
| 232 | Y | 98.1 | Very high | 96.9 | Very high | 60 Ų | 60 | 34.2 Ų | 34.2 | 24% | 0.235 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 157 | 178 | 71.3 | -81.2 | 0 | 0 | 0 | 112.3 | L234 V242 I243 A280 L283 | Y232-L234 HydrophobicContact CD2-CD2 4.48Å; Y232-L234 HydrophobicContact CE2-CD2 4.31Å; Y232-V242 HydrophobicContact CD2-CG1 3.72Å; Y232-V242 HydrophobicContact CG-CG1 4.21Å; Y232-I243 CarbonylContact C-O 3.5Å; Y232-I243 VanDerWaalsContact CA-O 3.31Å; Y232-I243 WeakPolarHBondContact CA-O 3.47Å; Y232-A280 VanDerWaalsContact CD1-O 3.28Å; Y232-A280 WeakPolarHBondContact CD1-O 3Å; Y232-A280 PolarHBondContact N-O 2.92Å; Y232-A280 VanDerWaalsContact N-O 3.12Å; Y232-A280 WeakPolarHBondContact O-CB 3.43Å; Y232-L283 HydrophobicContact CD1-CD2 3.73Å; Y232-L283 HydrophobicContact CE1-CD2 4.15Å |
| 233 | T | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 147.6 | -177.6 | -59.6 | 0 | 0 | 0 | 0 | 109.2 | S75 M79 V235 V242 I243 H245 Y271 | S75-T233 WeakPolarHBondContact O-CG2 3.46Å; M79-T233 HydrophobicContact CB-CG2 4.03Å; M79-T233 VanDerWaalsContact CB-OG1 3.24Å; M79-T233 WeakPolarHBondContact CB-OG1 3.49Å; M79-T233 HydrophobicContact CG-CG2 3.63Å; M79-T233 WeakPolarHBondContact CG-OG1 3.38Å; T233-V235 HydrophobicContact CG2-CG2 4.21Å; T233-V242 WeakPolarHBondContact O-CA 3.32Å; T233-I243 PolarHBondContact N-O 3.19Å; T233-I243 PolarHBondContact O-N 3.45Å; T233-H245 WeakPolarHBondContact CB-NE2 3.29Å; T233-H245 PolarHBondContact OG1-CD2 3.33Å; T233-H245 PolarHBondContact OG1-NE2 2.79Å; T233-Y271 HydrophobicContact CG2-CE1 3.92Å |
| 234 | L | 98.2 | Very high | 97 | Very high | 89 Ų | 89 | 25.7 Ų | 25.7 | 47% | 0.466 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 123.9 | 175.2 | -54.3 | -179.3 | 0 | 0 | 0 | 109.5 | S75 Y232 V242 Y271 | S75-L234 VanDerWaalsContact CB-O 3.29Å; S75-L234 WeakPolarHBondContact CB-O 3.32Å; S75-L234 PolarHBondContact OG-O 3.13Å; Y232-L234 HydrophobicContact CD2-CD2 4.48Å; Y232-L234 HydrophobicContact CE2-CD2 4.31Å; L234-V242 HydrophobicContact CD2-CG2 3.85Å; L234-Y271 HydrophobicContact CB-CE2 4.42Å; L234-Y271 WeakPolarHBondContact CB-OH 3.27Å; L234-Y271 PolarHBondContact N-OH 2.63Å; L234-Y271 VanDerWaalsContact N-OH 3.1Å |
| 235 | V | 98 | Very high | 97.1 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.012 | 15% | 0.15 | C | C | . | . | trans | -137.1 | 97.7 | 176.5 | -172.9 | 0 | 0 | 0 | 0 | 107.2 | T233 T237 Y238 G241 I243 | T233-V235 HydrophobicContact CG2-CG2 4.21Å; V235-T237 PolarHBondContact O-N 2.8Å; V235-T237 VanDerWaalsContact O-N 3.11Å; V235-Y238 HydrophobicContact CB-CD2 3.64Å; V235-Y238 HydrophobicContact CB-CE2 4.2Å; V235-Y238 HydrophobicContact CB-CG 3.93Å; V235-Y238 HydrophobicContact CG1-CD1 4Å; V235-Y238 HydrophobicContact CG1-CD2 3.69Å; V235-Y238 HydrophobicContact CG1-CE1 4.24Å; V235-Y238 HydrophobicContact CG1-CE2 3.96Å; V235-Y238 HydrophobicContact CG1-CG 3.72Å; V235-Y238 HydrophobicContact CG2-CD2 3.94Å; V235-Y238 HydrophobicContact CG2-CE2 4.14Å; V235-Y238 PolarHBondContact O-N 2.95Å; V235-G241 PolarHBondContact N-O 3.09Å; V235-G241 CarbonylContact O-C 3.53Å; V235-G241 VanDerWaalsContact O-C 3.32Å; V235-G241 VanDerWaalsContact O-CA 3.27Å; V235-G241 WeakPolarHBondContact O-CA 3.33Å; V235-I243 HydrophobicContact CG2-CG2 3.73Å | ||
| 236 | P | 96.9 | Very high | 97.1 | Very high | 73 Ų | 73 | 25 Ų | 25 | 47% | 0.474 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -33.2 | -171.4 | -30.9 | 35.8 | 0 | 0 | 0 | 115.9 | D72 | D72-P236 WeakPolarHBondContact OD2-CD 3.38Š|
| 237 | T | 96.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -14.7 | 179.6 | 55.5 | 0 | 0 | 0 | 0 | 115.5 | F30 Y56 T69 D72 V235 | F30-T237 HydrophobicContact CE1-CG2 3.74Å; F30-T237 HydrophobicContact CZ-CG2 4Å; Y56-T237 HydrophobicContact CD1-CG2 3.35Å; Y56-T237 HydrophobicContact CE1-CG2 3.24Å; Y56-T237 HydrophobicContact CG-CG2 4.15Å; T69-T237 HydrophobicContact CG2-CG2 3.57Å; D72-T237 PolarHBondContact OD1-OG1 2.94Å; D72-T237 WeakPolarHBondContact OD2-CG2 3.23Å; D72-T237 PolarHBondContact OD2-N 3.45Å; D72-T237 VanDerWaalsContact OD2-N 3.12Å; D72-T237 PolarHBondContact OD2-OG1 3.17Å; V235-T237 PolarHBondContact O-N 2.8Å; V235-T237 VanDerWaalsContact O-N 3.11Å |
| 238 | Y | 95.6 | Very high | 97.2 | Very high | 28 Ų | 28 | 21 Ų | 21 | 11% | 0.11 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -77.3 | 155.1 | 178.1 | -72.2 | -7.5 | 0 | 0 | 0 | 111.4 | Q67 Y76 V235 S240 G241 I243 | Q67-Y238 WeakPolarHBondContact O-CE1 3.44Å; Q67-Y238 PolarHBondContact O-OH 2.86Å; Y76-Y238 AromaticContact CD2-CE2 3.88Å; Y76-Y238 HydrophobicContact CD2-CE2 3.88Å; Y76-Y238 HydrophobicContact CE2-CE2 4.23Å; Y76-Y238 HydrophobicContact CG-CE2 4.35Å; V235-Y238 HydrophobicContact CB-CD2 3.64Å; V235-Y238 HydrophobicContact CB-CE2 4.2Å; V235-Y238 HydrophobicContact CB-CG 3.93Å; V235-Y238 HydrophobicContact CG1-CD1 4Å; V235-Y238 HydrophobicContact CG1-CD2 3.69Å; V235-Y238 HydrophobicContact CG1-CE1 4.24Å; V235-Y238 HydrophobicContact CG1-CE2 3.96Å; V235-Y238 HydrophobicContact CG1-CG 3.72Å; V235-Y238 HydrophobicContact CG2-CD2 3.94Å; V235-Y238 HydrophobicContact CG2-CE2 4.14Å; V235-Y238 PolarHBondContact O-N 2.95Å; Y238-S240 PolarHBondContact O-N 2.99Å; Y238-G241 WeakPolarHBondContact O-CA 3.36Å; Y238-G241 PolarHBondContact O-N 2.73Å; Y238-I243 HydrophobicContact CD2-CB 3.79Å; Y238-I243 HydrophobicContact CD2-CD1 3.55Å; Y238-I243 HydrophobicContact CD2-CG1 4.28Å; Y238-I243 HydrophobicContact CD2-CG2 3.76Å; Y238-I243 HydrophobicContact CE2-CB 4.32Å; Y238-I243 HydrophobicContact CE2-CD1 3.47Å; Y238-I243 VanDerWaalsContact CE2-CD1 3.47Å; Y238-I243 HydrophobicContact CE2-CG2 3.99Å |
| 239 | P | 92.9 | Very high | 97.2 | Very high | 27 Ų | 27 | 19.1 Ų | 19.1 | 18% | 0.175 | 11% | 0.113 | C | C | . | . | G | 310 helix | trans | -49.6 | 130.7 | 175.8 | -28.5 | 35.7 | 0 | 0 | 0 | 111.2 | W25 L209 G241 | W25-P239 HydrophobicContact CD2-CB 4.03Å; W25-P239 HydrophobicContact CD2-CG 3.9Å; W25-P239 HydrophobicContact CE3-CB 4.38Å; W25-P239 HydrophobicContact CE3-CG 4.13Å; W25-P239 HydrophobicContact CG-CB 4.22Å; W25-P239 HydrophobicContact CH2-CG 3.96Å; W25-P239 HydrophobicContact CZ2-CG 3.72Å; W25-P239 HydrophobicContact CZ3-CG 4.17Å; L209-P239 HydrophobicContact CD1-CB 3.53Å; P239-G241 PolarHBondContact O-N 3Å |
| 240 | S | 93.7 | Very high | 97.2 | Very high | 46 Ų | 46 | 20.4 Ų | 20.4 | 32% | 0.322 | 12% | 0.118 | S | C | . | . | G | 310 helix | trans | 64.1 | 1.7 | -172.6 | 74.8 | 0 | 0 | 0 | 0 | 117.5 | S206 Y238 V242 | S206-S240 PolarHBondContact OG-OG 2.85Å; Y238-S240 PolarHBondContact O-N 2.99Å; S240-V242 PolarHBondContact O-N 3.18Å |
| 241 | G | 96.5 | Very high | 97.1 | Very high | 21 Ų | 21 | 21.8 Ų | 21.8 | 22% | 0.216 | 13% | 0.126 | C | C | . | . | G | 310 helix | trans | 72.8 | 9.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | V235 Y238 P239 | V235-G241 PolarHBondContact N-O 3.09Å; V235-G241 CarbonylContact O-C 3.53Å; V235-G241 VanDerWaalsContact O-C 3.32Å; V235-G241 VanDerWaalsContact O-CA 3.27Å; V235-G241 WeakPolarHBondContact O-CA 3.33Å; Y238-G241 WeakPolarHBondContact O-CA 3.36Å; Y238-G241 PolarHBondContact O-N 2.73Å; P239-G241 PolarHBondContact O-N 3Å |
| 242 | V | 96.7 | Very high | 96.9 | Very high | 14 Ų | 14 | 29.1 Ų | 29.1 | 9% | 0.085 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 138.5 | -173.5 | -178.4 | 0 | 0 | 0 | 0 | 109.6 | S206 Y232 T233 L234 S240 | S206-V242 VanDerWaalsContact CB-O 3.29Å; S206-V242 WeakPolarHBondContact CB-O 3.29Å; S206-V242 PolarHBondContact OG-O 3.12Å; Y232-V242 HydrophobicContact CD2-CG1 3.72Å; Y232-V242 HydrophobicContact CG-CG1 4.21Å; T233-V242 WeakPolarHBondContact O-CA 3.32Å; L234-V242 HydrophobicContact CD2-CG2 3.85Å; S240-V242 PolarHBondContact O-N 3.18Å |
| 243 | I | 97.1 | Very high | 96.8 | Very high | 13 Ų | 13 | 33.4 Ų | 33.4 | 7% | 0.067 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 146.9 | 171 | -167.3 | 163.5 | 0 | 0 | 0 | 111 | Y76 Q203 Y232 T233 V235 Y238 | Y76-I243 HydrophobicContact CD2-CD1 4.49Å; Y76-I243 HydrophobicContact CD2-CG2 3.82Å; Y76-I243 HydrophobicContact CE2-CD1 4.03Å; Y76-I243 HydrophobicContact CE2-CG2 4.26Å; Q203-I243 HydrophobicContact CG-CD1 3.88Å; Q203-I243 HydrophobicContact CG-CG1 4.44Å; Y232-I243 CarbonylContact C-O 3.5Å; Y232-I243 VanDerWaalsContact CA-O 3.31Å; Y232-I243 WeakPolarHBondContact CA-O 3.47Å; T233-I243 PolarHBondContact N-O 3.19Å; T233-I243 PolarHBondContact O-N 3.45Å; V235-I243 HydrophobicContact CG2-CG2 3.73Å; Y238-I243 HydrophobicContact CD2-CB 3.79Å; Y238-I243 HydrophobicContact CD2-CD1 3.55Å; Y238-I243 HydrophobicContact CD2-CG1 4.28Å; Y238-I243 HydrophobicContact CD2-CG2 3.76Å; Y238-I243 HydrophobicContact CE2-CB 4.32Å; Y238-I243 HydrophobicContact CE2-CD1 3.47Å; Y238-I243 VanDerWaalsContact CE2-CD1 3.47Å; Y238-I243 HydrophobicContact CE2-CG2 3.99Å |
| 244 | G | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 161 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | A204 E205 Y230 C231 | A204-G244 PolarHBondContact N-O 3.35Å; E205-G244 VanDerWaalsContact O-CA 3.26Å; E205-G244 WeakPolarHBondContact O-CA 3.39Å; E205-G244 PolarHBondContact O-N 3.1Å; Y230-G244 WeakPolarHBondContact OH-CA 3.2Å; C231-G244 CarbonylContact O-C 3.53Å; C231-G244 VanDerWaalsContact O-CA 3.28Å; C231-G244 WeakPolarHBondContact O-CA 3.32Å |
| 245 | H | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 146.6 | 166.1 | -41.2 | -89.1 | 0 | 0 | 0 | 109.7 | Y76 M80 M201 T202 Y230 C231 T233 | Y76-H245 AromaticContact CD2-CE1 3.68Å; Y76-H245 AromaticContact CE2-CE1 3.6Å; M80-H245 VanDerWaalsContact CE-ND1 3.27Å; M80-H245 WeakPolarHBondContact CE-ND1 3.47Å; M201-H245 HydrophobicContact CE-CB 3.33Å; M201-H245 HydrophobicContact CG-CB 4.32Å; M201-H245 HydrophobicContact SD-CB 3.53Å; M201-H245 VanDerWaalsContact SD-CB 3.53Å; T202-H245 CarbonylContact O-C 3.52Å; T202-H245 WeakPolarHBondContact O-CA 3.44Å; Y230-H245 WeakPolarHBondContact CA-O 3.43Å; C231-H245 PolarHBondContact N-O 2.81Å; C231-H245 PolarHBondContact O-N 2.86Å; T233-H245 WeakPolarHBondContact CB-NE2 3.29Å; T233-H245 PolarHBondContact OG1-CD2 3.33Å; T233-H245 PolarHBondContact OG1-NE2 2.79Å |
| 246 | L | 98.1 | Very high | 96.7 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 117.5 | 175.4 | -172.9 | 64.9 | 0 | 0 | 0 | 110 | T202 A204 L217 V218 C221 | T202-L246 PolarHBondContact N-O 2.76Å; T202-L246 PolarHBondContact O-N 3.26Å; A204-L246 HydrophobicContact CB-CB 3.92Å; L217-L246 HydrophobicContact CD2-CB 4.43Å; L217-L246 HydrophobicContact CD2-CD2 4.04Å; L217-L246 HydrophobicContact CG-CD2 3.79Å; V218-L246 HydrophobicContact CG2-CD1 3.89Å; V218-L246 HydrophobicContact CG2-CD2 4.33Å; C221-L246 HydrophobicContact CB-CD2 3.87Å; C221-L246 WeakPolarHBondContact SG-CD2 3.42Å |
| 247 | V | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 132.8 | 171.3 | 175.7 | 0 | 0 | 0 | 0 | 109.5 | I83 L87 V199 I200 M201 T228 G229 A256 F281 | I83-V247 HydrophobicContact CG2-CG2 3.74Å; L87-V247 HydrophobicContact CD1-CG1 3.77Å; L87-V247 HydrophobicContact CD1-CG2 4.3Å; V199-V247 HydrophobicContact CG1-CG1 3.81Å; I200-V247 VanDerWaalsContact O-CA 3.28Å; I200-V247 WeakPolarHBondContact O-CA 3.39Å; M201-V247 HydrophobicContact SD-CG2 3.58Å; M201-V247 VanDerWaalsContact SD-CG2 3.58Å; T228-V247 CarbonylContact C-O 3.55Å; T228-V247 VanDerWaalsContact CA-O 3.27Å; T228-V247 WeakPolarHBondContact CA-O 3.33Å; G229-V247 PolarHBondContact N-O 3.42Å; G229-V247 PolarHBondContact O-N 2.79Å; V247-A256 HydrophobicContact CB-CB 4.31Å; V247-A256 HydrophobicContact CG1-CB 4.01Å; V247-F281 HydrophobicContact CG2-CE1 4.22Å; V247-F281 HydrophobicContact CG2-CZ 3.95Å |
| 248 | C | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 148.2 | 170.5 | -57.8 | 0 | 0 | 0 | 0 | 111.1 | I200 F225 V227 | I200-C248 HydrophobicContact CB-CB 4.13Å; I200-C248 PolarHBondContact N-O 3.37Å; I200-C248 PolarHBondContact O-N 2.82Å; F225-C248 HydrophobicContact CB-CB 4.11Å; F225-C248 HydrophobicContact CD1-CB 4.19Å; F225-C248 HydrophobicContact CD2-CB 3.6Å; F225-C248 HydrophobicContact CE2-CB 4.04Å; F225-C248 HydrophobicContact CG-CB 3.7Å; V227-C248 VanDerWaalsContact O-CA 3.31Å; V227-C248 WeakPolarHBondContact O-CA 3.34Å |
| 249 | S | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 152.5 | 173.5 | -173.8 | 0 | 0 | 0 | 0 | 112.3 | G198 P226 V227 N251 L254 | G198-S249 WeakPolarHBondContact O-CB 3.26Å; G198-S249 PolarHBondContact O-OG 3.14Å; P226-S249 VanDerWaalsContact CD-O 3.27Å; P226-S249 WeakPolarHBondContact CD-O 3.16Å; V227-S249 PolarHBondContact N-O 3.28Å; V227-S249 PolarHBondContact O-N 2.97Å; V227-S249 VanDerWaalsContact O-N 3.1Å; S249-N251 VanDerWaalsContact C-N 3.34Å; S249-N251 PolarHBondContact OG-N 3.42Å; S249-N251 VanDerWaalsContact OG-N 3.12Å; S249-L254 VanDerWaalsContact CB-CD2 3.47Å |
| 250 | V | 96.7 | Very high | 97.1 | Very high | 41 Ų | 41 | 41.9 Ų | 41.9 | 25% | 0.248 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -81.1 | -15.5 | 169.9 | -63.8 | 0 | 0 | 0 | 0 | 112.8 | K191 L194 F225 E252 | K191-V250 HydrophobicContact CD-CG1 4.29Å; K191-V250 HydrophobicContact CG-CG1 3.77Å; L194-V250 HydrophobicContact CD1-CG1 4.23Å; F225-V250 HydrophobicContact CD1-CG1 4.1Å; F225-V250 HydrophobicContact CE1-CG1 4.25Å; V250-E252 PolarHBondContact O-N 3.24Å |
| 251 | N | 95.5 | Very high | 97.2 | Very high | 43 Ų | 43 | 42 Ų | 42 | 23% | 0.23 | 22% | 0.222 | C | C | . | . | trans | -81.2 | 102.3 | 177.5 | 176.9 | 11.7 | 0 | 0 | 0 | 110.3 | V227 S249 N253 L254 | V227-N251 VanDerWaalsContact CG2-O 3.24Å; V227-N251 WeakPolarHBondContact CG2-O 3.39Å; S249-N251 VanDerWaalsContact C-N 3.34Å; S249-N251 PolarHBondContact OG-N 3.42Å; S249-N251 VanDerWaalsContact OG-N 3.12Å; N251-N253 PolarHBondContact O-N 3.32Å; N251-N253 VanDerWaalsContact O-N 3.09Å; N251-N253 PolarHBondContact OD1-N 3.18Å; N251-N253 VanDerWaalsContact OD1-N 3.13Å; N251-L254 HydrophobicContact CB-CB 4.27Å; N251-L254 VanDerWaalsContact O-CB 3.29Å; N251-L254 WeakPolarHBondContact O-CB 3.03Å; N251-L254 PolarHBondContact O-N 3.12Å | ||
| 252 | E | 95.4 | Very high | 97.1 | Very high | 153 Ų | 153 | 49.8 Ų | 49.8 | 72% | 0.715 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -23.8 | -179.4 | -53.4 | -168.7 | 155.2 | 0 | 0 | 113.9 | P226 V250 L254 | P226-E252 HydrophobicContact CB-CB 4.44Å; P226-E252 HydrophobicContact CB-CG 3.7Å; P226-E252 HydrophobicContact CG-CG 3.7Å; V250-E252 PolarHBondContact O-N 3.24Å; E252-L254 VanDerWaalsContact C-N 3.34Å |
| 253 | N | 95.2 | Very high | 96.9 | Very high | 151 Ų | 151 | 52.2 Ų | 52.2 | 81% | 0.807 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -2.7 | -179.6 | -59.2 | -60.9 | 0 | 0 | 0 | 113.1 | N251 N255 | N251-N253 PolarHBondContact O-N 3.32Å; N251-N253 VanDerWaalsContact O-N 3.09Å; N251-N253 PolarHBondContact OD1-N 3.18Å; N251-N253 VanDerWaalsContact OD1-N 3.13Å; N253-N255 PolarHBondContact O-N 3.25Å |
| 254 | L | 97.3 | Very high | 96.7 | Very high | 13 Ų | 13 | 54.4 Ų | 54.4 | 7% | 0.068 | 27% | 0.273 | C | S | . | . | trans | -73 | 121.6 | -179.6 | -175.1 | 70.2 | 0 | 0 | 0 | 110.5 | L87 V199 V227 S249 N251 E252 L260 | L87-L254 HydrophobicContact CB-CD1 4.2Å; L87-L254 HydrophobicContact CB-CD2 4.37Å; L87-L254 HydrophobicContact CD2-CD1 4.17Å; L87-L254 WeakPolarHBondContact O-CD1 3.31Å; V199-L254 HydrophobicContact CG2-CD2 4.03Å; V227-L254 HydrophobicContact CG2-CB 4.47Å; S249-L254 VanDerWaalsContact CB-CD2 3.47Å; N251-L254 HydrophobicContact CB-CB 4.27Å; N251-L254 VanDerWaalsContact O-CB 3.29Å; N251-L254 WeakPolarHBondContact O-CB 3.03Å; N251-L254 PolarHBondContact O-N 3.12Å; E252-L254 VanDerWaalsContact C-N 3.34Å; L254-L260 HydrophobicContact CD1-CD1 4.14Å | ||
| 255 | N | 97.7 | Very high | 96.5 | Very high | 89 Ų | 89 | 59 Ų | 59 | 48% | 0.476 | 30% | 0.303 | S | S | . | . | trans | -95.3 | 104.3 | 164.2 | -177.4 | -9.4 | 0 | 0 | 0 | 109.2 | N253 K257 V258 | N253-N255 PolarHBondContact O-N 3.25Å; N255-K257 PolarHBondContact O-N 3.41Å; N255-K257 WeakPolarHBondContact OD1-CB 3.36Å; N255-K257 PolarHBondContact OD1-N 3.31Å; N255-K257 VanDerWaalsContact OD1-N 3.09Å; N255-V258 HydrophobicContact CB-CG2 4.44Å; N255-V258 PolarHBondContact O-N 2.66Å | ||
| 256 | A | 97.3 | Very high | 96.4 | Very high | 7 Ų | 7 | 64 Ų | 64 | 6% | 0.058 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -16.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L87 V247 H277 F281 | L87-A256 HydrophobicContact CD1-CB 4.26Å; V247-A256 HydrophobicContact CB-CB 4.31Å; V247-A256 HydrophobicContact CG1-CB 4.01Å; A256-H277 PolarHBondContact O-NE2 3.13Å; A256-H277 VanDerWaalsContact O-NE2 3.09Å; A256-F281 HydrophobicContact CB-CE1 3.84Å; A256-F281 HydrophobicContact CB-CZ 4.06Å; A256-F281 WeakPolarHBondContact O-CE2 3.36Å; A256-F281 WeakPolarHBondContact O-CZ 3.28Å |
| 257 | K | 97.6 | Very high | 96.2 | Very high | 98 Ų | 98 | 65.1 Ų | 65.1 | 43% | 0.426 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -15.9 | 179.3 | -50.1 | -167.7 | 179.3 | -169.3 | 0 | 113.8 | N255 K278 F281 | N255-K257 PolarHBondContact O-N 3.41Å; N255-K257 WeakPolarHBondContact OD1-CB 3.36Å; N255-K257 PolarHBondContact OD1-N 3.31Å; N255-K257 VanDerWaalsContact OD1-N 3.09Å; K257-K278 VanDerWaalsContact O-CG 3.31Å; K257-K278 WeakPolarHBondContact O-CG 3.25Å; K257-F281 HydrophobicContact CB-CB 4.36Å; K257-F281 HydrophobicContact CB-CD2 4.43Å; K257-F281 HydrophobicContact CB-CG 4.44Å; K257-F281 HydrophobicContact CD-CB 3.93Å; K257-F281 HydrophobicContact CG-CB 3.67Å; K257-F281 HydrophobicContact CG-CD1 4.35Å; K257-F281 HydrophobicContact CG-CD2 4.36Å; K257-F281 HydrophobicContact CG-CG 3.89Å |
| 258 | V | 97.6 | Very high | 96.1 | Very high | 70 Ų | 70 | 67.6 Ų | 67.6 | 42% | 0.424 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -116.4 | 107.8 | -169 | -177.5 | 0 | 0 | 0 | 0 | 109 | N255 L260 | N255-V258 HydrophobicContact CB-CG2 4.44Å; N255-V258 PolarHBondContact O-N 2.66Å; V258-L260 PolarHBondContact O-N 3.12Å |
| 259 | P | 97.3 | Very high | 96 | Very high | 23 Ų | 23 | 68.4 Ų | 68.4 | 15% | 0.149 | 37% | 0.369 | C | S | . | . | trans | -62.8 | 134.6 | 176.2 | 25.7 | -33.1 | 0 | 0 | 0 | 110.4 | H86 | H86-P259 HydrophobicContact CB-CB 3.86Å; H86-P259 CarbonylContact O-C 3.05Å | ||
| 260 | L | 97.3 | Very high | 96 | Very high | 96 Ų | 96 | 75.6 Ų | 75.6 | 50% | 0.503 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -83.4 | -24.9 | 176.8 | -57.9 | -173.6 | 0 | 0 | 0 | 112.4 | H86 L87 L254 V258 | H86-L260 PolarHBondContact O-N 2.99Å; L87-L260 WeakPolarHBondContact O-CD1 3.29Å; L254-L260 HydrophobicContact CD1-CD1 4.14Å; V258-L260 PolarHBondContact O-N 3.12Å |
| 261 | R | 96.8 | Very high | 96.1 | Very high | 49 Ų | 49 | 76.4 Ų | 76.4 | 19% | 0.185 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -103.8 | 145.9 | 178.3 | -67.7 | 172.4 | 61.5 | -145.1 | -2.7 | 110.4 | L85 H86 H88 P89 H111 | L85-R261 WeakPolarHBondContact O-CD 3.33Å; L85-R261 PolarHBondContact O-NH1 3.32Å; H86-R261 PolarHBondContact O-N 2.9Å; H88-R261 WeakPolarHBondContact O-CD 3.16Å; H88-R261 WeakPolarHBondContact O-CG 3.28Å; P89-R261 WeakPolarHBondContact O-CD 3.43Å; P89-R261 WeakPolarHBondContact O-CG 3.32Å; H111-R261 PolarHBondContact ND1-NH1 3.31Å; H111-R261 VanDerWaalsContact ND1-NH1 3.17Å; H111-R261 PolarHBondContact ND1-NH2 3.32Å |
| 262 | Q | 93.5 | Very high | 96.2 | Very high | 185 Ų | 185 | 74.5 Ų | 74.5 | 86% | 0.864 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -71.4 | 139.1 | 173.2 | -68.3 | -176.4 | -17.2 | 0 | 0 | 110.2 | D264 | Q262-D264 PolarHBondContact O-N 3.03Š|
| 263 | Y | 92.9 | Very high | 96.3 | Very high | 64 Ų | 64 | 70.1 Ų | 70.1 | 25% | 0.251 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 131.8 | 169.7 | 172.4 | -116.9 | 0 | 0 | 0 | 110.2 | P265 L269 Y272 D273 S274 | Y263-P265 HydrophobicContact CD1-CG 4.31Å; Y263-P265 HydrophobicContact CE1-CB 4.32Å; Y263-P265 HydrophobicContact CE1-CG 4.14Å; Y263-P265 WeakPolarHBondContact O-CD 3.34Å; Y263-L269 HydrophobicContact CE2-CB 4.23Å; Y263-L269 HydrophobicContact CE2-CD1 3.86Å; Y263-L269 HydrophobicContact CE2-CG 4.16Å; Y263-Y272 HydrophobicContact CD2-CD1 4.34Å; Y263-Y272 HydrophobicContact CD2-CE1 4.37Å; Y263-D273 HydrophobicContact CD1-CB 4.33Å; Y263-D273 HydrophobicContact CE1-CB 4.29Å; Y263-S274 WeakPolarHBondContact CB-OG 3.49Å |
| 264 | D | 93.7 | Very high | 96.4 | Very high | 60 Ų | 60 | 64.1 Ų | 64.1 | 32% | 0.321 | 34% | 0.336 | S | S | . | . | trans | -102.8 | 107.8 | 175.9 | 178.5 | -3.2 | 0 | 0 | 0 | 109.5 | Q262 T266 L267 | Q262-D264 PolarHBondContact O-N 3.03Å; D264-T266 PolarHBondContact O-N 3.16Å; D264-T266 VanDerWaalsContact O-N 3.09Å; D264-T266 VanDerWaalsContact OD1-CB 3.28Å; D264-T266 WeakPolarHBondContact OD1-CB 3.37Å; D264-T266 WeakPolarHBondContact OD1-CG2 3.29Å; D264-T266 PolarHBondContact OD1-N 3.47Å; D264-T266 PolarHBondContact OD1-OG1 2.87Å; D264-T266 PolarHBondContact OD2-OG1 2.85Å; D264-T266 VanDerWaalsContact OD2-OG1 3.05Å; D264-L267 HydrophobicContact CB-CD1 4.19Å; D264-L267 HydrophobicContact CB-CG 3.97Å; D264-L267 WeakPolarHBondContact O-CB 3.21Å; D264-L267 WeakPolarHBondContact O-CG 3.25Å; D264-L267 PolarHBondContact O-N 2.83Å; D264-L267 VanDerWaalsContact O-N 3.13Å | ||
| 265 | P | 93.8 | Very high | 96.4 | Very high | 96 Ų | 96 | 69.2 Ų | 69.2 | 62% | 0.623 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -61 | -18.8 | 179.5 | -23.5 | 34.4 | 0 | 0 | 0 | 114 | Y263 L267 G268 | Y263-P265 HydrophobicContact CD1-CG 4.31Å; Y263-P265 HydrophobicContact CE1-CB 4.32Å; Y263-P265 HydrophobicContact CE1-CG 4.14Å; Y263-P265 WeakPolarHBondContact O-CD 3.34Å; P265-L267 PolarHBondContact O-N 3.47Å; P265-G268 PolarHBondContact O-N 2.6Å |
| 266 | T | 94.8 | Very high | 96.4 | Very high | 105 Ų | 105 | 67 Ų | 67 | 64% | 0.644 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -72.9 | -11.9 | 179.2 | 73.7 | 0 | 0 | 0 | 0 | 113.2 | D264 G268 | D264-T266 PolarHBondContact O-N 3.16Å; D264-T266 VanDerWaalsContact O-N 3.09Å; D264-T266 VanDerWaalsContact OD1-CB 3.28Å; D264-T266 WeakPolarHBondContact OD1-CB 3.37Å; D264-T266 WeakPolarHBondContact OD1-CG2 3.29Å; D264-T266 PolarHBondContact OD1-N 3.47Å; D264-T266 PolarHBondContact OD1-OG1 2.87Å; D264-T266 PolarHBondContact OD2-OG1 2.85Å; D264-T266 VanDerWaalsContact OD2-OG1 3.05Å; T266-G268 PolarHBondContact O-N 2.99Å |
| 267 | L | 94.9 | Very high | 96.5 | Very high | 25 Ų | 25 | 66.7 Ų | 66.7 | 13% | 0.131 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -69.4 | -15.1 | 173.6 | -58.9 | -178.2 | 0 | 0 | 0 | 113 | K110 D264 P265 L269 | K110-L267 HydrophobicContact CB-CD2 4.1Å; K110-L267 WeakPolarHBondContact O-CD2 3.24Å; D264-L267 HydrophobicContact CB-CD1 4.19Å; D264-L267 HydrophobicContact CB-CG 3.97Å; D264-L267 WeakPolarHBondContact O-CB 3.21Å; D264-L267 WeakPolarHBondContact O-CG 3.25Å; D264-L267 PolarHBondContact O-N 2.83Å; D264-L267 VanDerWaalsContact O-N 3.13Å; P265-L267 PolarHBondContact O-N 3.47Å; L267-L269 VanDerWaalsContact C-N 3.25Å; L267-L269 HydrophobicContact CB-CD2 4.11Å; L267-L269 HydrophobicContact CB-CG 3.91Å; L267-L269 HydrophobicContact CD1-CD1 4.48Å; L267-L269 PolarHBondContact O-N 3.31Å |
| 268 | G | 95.4 | Very high | 96.5 | Very high | 51 Ų | 51 | 65.9 Ų | 65.9 | 53% | 0.526 | 34% | 0.343 | S | S | . | . | trans | 61.4 | 32.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | P265 T266 | P265-G268 PolarHBondContact O-N 2.6Å; T266-G268 PolarHBondContact O-N 2.99Å | ||
| 269 | L | 97.7 | Very high | 96.5 | Very high | 18 Ų | 18 | 64.9 Ų | 64.9 | 9% | 0.094 | 34% | 0.342 | C | S | . | . | trans | -67.6 | 140.4 | 175.8 | -55.5 | -170 | 0 | 0 | 0 | 109.7 | E78 N82 E107 K110 Y263 L267 Y272 | E78-L269 HydrophobicContact CG-CD2 4.26Å; E78-L269 WeakPolarHBondContact OE2-CB 3.31Å; N82-L269 HydrophobicContact CB-CD1 4.49Å; N82-L269 WeakPolarHBondContact OD1-CD1 3.41Å; E107-L269 WeakPolarHBondContact OE2-CD2 3.38Å; K110-L269 HydrophobicContact CD-CD2 3.78Å; Y263-L269 HydrophobicContact CE2-CB 4.23Å; Y263-L269 HydrophobicContact CE2-CD1 3.86Å; Y263-L269 HydrophobicContact CE2-CG 4.16Å; L267-L269 VanDerWaalsContact C-N 3.25Å; L267-L269 HydrophobicContact CB-CD2 4.11Å; L267-L269 HydrophobicContact CB-CG 3.91Å; L267-L269 HydrophobicContact CD1-CD1 4.48Å; L267-L269 PolarHBondContact O-N 3.31Å; L269-Y272 HydrophobicContact CD1-CD1 3.72Å; L269-Y272 HydrophobicContact CD1-CG 4.26Å | ||
| 270 | R | 97.6 | Very high | 96.6 | Very high | 150 Ų | 150 | 64 Ų | 64 | 57% | 0.566 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -102.4 | -22.1 | -173.8 | -63.6 | -171.4 | -70.5 | 173.9 | -12.5 | 113.1 | E73 F74 E78 | E73-R270 IonicContact OE1-NH2 3.48Å; F74-R270 HydrophobicContact CD2-CB 3.53Å; F74-R270 HydrophobicContact CE2-CB 3.59Å; F74-R270 HydrophobicContact CG-CB 4.37Å; F74-R270 VanDerWaalsContact CG-CZ 3.41Å; F74-R270 VanDerWaalsContact CG-NH2 3.3Å; F74-R270 HydrophobicContact CZ-CB 4.46Å; E78-R270 VanDerWaalsContact CD-N 3.31Å; E78-R270 PolarHBondContact OE1-N 2.92Å; E78-R270 PolarHBondContact OE2-N 3.42Å |
| 271 | Y | 98.3 | Very high | 96.6 | Very high | 58 Ų | 58 | 59.9 Ų | 59.9 | 23% | 0.227 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -122.3 | -48.6 | -176.6 | -168.3 | -83.4 | 0 | 0 | 0 | 111.9 | F74 E78 M79 T233 L234 V276 | F74-Y271 HydrophobicContact CE2-CD2 4.39Å; E78-Y271 WeakPolarHBondContact OE2-CA 3.44Å; E78-Y271 WeakPolarHBondContact OE2-CB 3.49Å; E78-Y271 PolarHBondContact OE2-N 2.61Å; M79-Y271 HydrophobicContact CE-CE1 4.35Å; M79-Y271 HydrophobicContact CG-CD1 3.55Å; M79-Y271 HydrophobicContact CG-CE1 3.6Å; M79-Y271 HydrophobicContact SD-CD1 3.8Å; M79-Y271 HydrophobicContact SD-CE1 3.8Å; T233-Y271 HydrophobicContact CG2-CE1 3.92Å; L234-Y271 HydrophobicContact CB-CE2 4.42Å; L234-Y271 WeakPolarHBondContact CB-OH 3.27Å; L234-Y271 PolarHBondContact N-OH 2.63Å; L234-Y271 VanDerWaalsContact N-OH 3.1Å; Y271-V276 HydrophobicContact CD1-CG1 4.05Å; Y271-V276 HydrophobicContact CE1-CG1 3.72Å |
| 272 | Y | 98.5 | Very high | 96.6 | Very high | 3 Ų | 3 | 62.4 Ų | 62.4 | 1% | 0.012 | 33% | 0.332 | C | S | . | . | trans | -78 | 129.9 | -176 | 178.1 | -82.5 | 0 | 0 | 0 | 111.8 | E78 M79 N82 I83 H86 Y263 L269 H277 | E78-Y272 PolarHBondContact OE2-N 2.97Å; M79-Y272 HydrophobicContact SD-CD2 3.77Å; N82-Y272 HydrophobicContact CB-CD1 3.6Å; N82-Y272 HydrophobicContact CB-CD2 3.52Å; N82-Y272 HydrophobicContact CB-CE1 3.75Å; N82-Y272 HydrophobicContact CB-CE2 3.67Å; N82-Y272 HydrophobicContact CB-CG 3.48Å; N82-Y272 VanDerWaalsContact CB-CG 3.48Å; I83-Y272 HydrophobicContact CG1-CD2 4.37Å; I83-Y272 HydrophobicContact CG1-CE2 3.89Å; H86-Y272 VanDerWaalsContact CB-OH 3.26Å; H86-Y272 WeakPolarHBondContact CB-OH 3.46Å; H86-Y272 AromaticContact CE1-CE1 3.34Å; H86-Y272 WeakPolarHBondContact CE1-CE1 3.3Å; H86-Y272 AromaticContact CE1-CZ 3.81Å; H86-Y272 AromaticContact CG-CZ 3.91Å; H86-Y272 AromaticContact ND1-CE1 3.61Å; H86-Y272 AromaticContact ND1-CZ 3.56Å; H86-Y272 PolarHBondContact ND1-OH 3.18Å; H86-Y272 VanDerWaalsContact ND1-OH 3.16Å; H86-Y272 AromaticContact NE2-CE1 3.73Å; Y263-Y272 HydrophobicContact CD2-CD1 4.34Å; Y263-Y272 HydrophobicContact CD2-CE1 4.37Å; L269-Y272 HydrophobicContact CD1-CD1 3.72Å; L269-Y272 HydrophobicContact CD1-CG 4.26Å; Y272-H277 HydrophobicContact CE2-CB 3.79Å; Y272-H277 AromaticContact CE2-ND1 3.55Å; Y272-H277 AromaticContact CZ-ND1 3.61Å; Y272-H277 PolarHBondContact OH-ND1 2.95Å | ||
| 273 | D | 97.6 | Very high | 96.8 | Very high | 61 Ų | 61 | 55.2 Ų | 55.2 | 33% | 0.326 | 30% | 0.299 | S | S | . | . | trans | -143.1 | 178.8 | 157.1 | 68.6 | 37.2 | 0 | 0 | 0 | 110 | Y263 E275 V276 H277 | Y263-D273 HydrophobicContact CD1-CB 4.33Å; Y263-D273 HydrophobicContact CE1-CB 4.29Å; D273-E275 VanDerWaalsContact C-N 3.27Å; D273-E275 PolarHBondContact O-N 2.86Å; D273-E275 WeakPolarHBondContact OD1-CA 3.12Å; D273-E275 WeakPolarHBondContact OD1-CB 3.49Å; D273-E275 PolarHBondContact OD1-N 2.94Å; D273-V276 PolarHBondContact O-N 3.17Å; D273-V276 PolarHBondContact OD1-N 3.37Å; D273-H277 WeakPolarHBondContact O-CB 3.47Å; D273-H277 PolarHBondContact O-N 3.2Å | ||
| 274 | S | 97.1 | Very high | 97.1 | Very high | 26 Ų | 26 | 54.3 Ų | 54.3 | 18% | 0.182 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.6 | -24.7 | -178.9 | -62.5 | 0 | 0 | 0 | 0 | 114.6 | Y263 K278 | Y263-S274 WeakPolarHBondContact CB-OG 3.49Å; S274-K278 WeakPolarHBondContact O-CG 3.34Å; S274-K278 PolarHBondContact O-N 3.25Å |
| 275 | E | 97.1 | Very high | 97.2 | Very high | 120 Ų | 120 | 54.3 Ų | 54.3 | 56% | 0.561 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -83.6 | -40 | 177.7 | -64.4 | -54.7 | 123.2 | 0 | 0 | 110.9 | D273 H277 K278 A279 | D273-E275 VanDerWaalsContact C-N 3.27Å; D273-E275 PolarHBondContact O-N 2.86Å; D273-E275 WeakPolarHBondContact OD1-CA 3.12Å; D273-E275 WeakPolarHBondContact OD1-CB 3.49Å; D273-E275 PolarHBondContact OD1-N 2.94Å; E275-H277 VanDerWaalsContact C-N 3.29Å; E275-H277 PolarHBondContact O-N 3.04Å; E275-K278 PolarHBondContact O-N 2.95Å; E275-K278 IonicContact OE1-NZ 3.47Å; E275-K278 PolarHBondContact OE1-NZ 2.91Å; E275-K278 IonicContact OE2-NZ 2.91Å; E275-A279 VanDerWaalsContact O-CB 3.28Å; E275-A279 WeakPolarHBondContact O-CB 3.5Å; E275-A279 PolarHBondContact O-N 3.27Å |
| 276 | V | 98.1 | Very high | 97.4 | Very high | 42 Ų | 42 | 52.9 Ų | 52.9 | 26% | 0.255 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.2 | -42.4 | 169.6 | 174.4 | 0 | 0 | 0 | 0 | 110.4 | M79 Y271 D273 K278 A279 A280 | M79-V276 HydrophobicContact CE-CG1 4.12Å; M79-V276 HydrophobicContact SD-CG1 3.84Å; Y271-V276 HydrophobicContact CD1-CG1 4.05Å; Y271-V276 HydrophobicContact CE1-CG1 3.72Å; D273-V276 PolarHBondContact O-N 3.17Å; D273-V276 PolarHBondContact OD1-N 3.37Å; V276-K278 PolarHBondContact O-N 3.39Å; V276-A279 PolarHBondContact O-N 3.02Å; V276-A280 WeakPolarHBondContact O-CB 3.46Å; V276-A280 PolarHBondContact O-N 3.49Å |
| 277 | H | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -52.4 | -56.2 | 172.8 | -173.7 | 131.4 | 0 | 0 | 0 | 110.9 | A256 Y272 D273 E275 A279 A280 F281 | A256-H277 PolarHBondContact O-NE2 3.13Å; A256-H277 VanDerWaalsContact O-NE2 3.09Å; Y272-H277 HydrophobicContact CE2-CB 3.79Å; Y272-H277 AromaticContact CE2-ND1 3.55Å; Y272-H277 AromaticContact CZ-ND1 3.61Å; Y272-H277 PolarHBondContact OH-ND1 2.95Å; D273-H277 WeakPolarHBondContact O-CB 3.47Å; D273-H277 PolarHBondContact O-N 3.2Å; E275-H277 VanDerWaalsContact C-N 3.29Å; E275-H277 PolarHBondContact O-N 3.04Å; H277-A279 VanDerWaalsContact C-N 3.32Å; H277-A279 PolarHBondContact O-N 2.98Å; H277-A280 PolarHBondContact O-N 2.63Å; H277-F281 AromaticContact CD2-CE2 3.65Å; H277-F281 AromaticContact NE2-CE2 3.69Å; H277-F281 WeakPolarHBondContact O-CD2 3.45Å |
| 278 | K | 98 | Very high | 97.6 | Very high | 82 Ų | 82 | 51.8 Ų | 51.8 | 36% | 0.357 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.6 | -42.6 | 180 | -68.3 | 165.6 | -170.8 | 168.3 | 0 | 111.6 | K257 S274 E275 V276 A280 F281 | K257-K278 VanDerWaalsContact O-CG 3.31Å; K257-K278 WeakPolarHBondContact O-CG 3.25Å; S274-K278 WeakPolarHBondContact O-CG 3.34Å; S274-K278 PolarHBondContact O-N 3.25Å; E275-K278 PolarHBondContact O-N 2.95Å; E275-K278 IonicContact OE1-NZ 3.47Å; E275-K278 PolarHBondContact OE1-NZ 2.91Å; E275-K278 IonicContact OE2-NZ 2.91Å; V276-K278 PolarHBondContact O-N 3.39Å; K278-A280 VanDerWaalsContact C-N 3.34Å; K278-A280 PolarHBondContact O-N 3.13Å; K278-F281 PolarHBondContact O-N 3.33Å |
| 279 | A | 98.1 | Very high | 97.6 | Very high | 48 Ų | 48 | 56.1 Ų | 56.1 | 40% | 0.397 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.9 | -35 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E275 V276 H277 F281 N282 | E275-A279 VanDerWaalsContact O-CB 3.28Å; E275-A279 WeakPolarHBondContact O-CB 3.5Å; E275-A279 PolarHBondContact O-N 3.27Å; V276-A279 PolarHBondContact O-N 3.02Å; H277-A279 VanDerWaalsContact C-N 3.32Å; H277-A279 PolarHBondContact O-N 2.98Å; A279-F281 PolarHBondContact O-N 3.44Å; A279-F281 VanDerWaalsContact O-N 3.15Å; A279-N282 WeakPolarHBondContact O-CB 3.4Å; A279-N282 PolarHBondContact O-N 2.99Å |
| 280 | A | 98.4 | Very high | 97.6 | Very high | 5 Ų | 5 | 57.8 Ų | 57.8 | 4% | 0.041 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.1 | -25.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | M79 C231 Y232 V276 H277 K278 | M79-A280 HydrophobicContact CE-CB 3.53Å; C231-A280 WeakPolarHBondContact CA-O 3.37Å; C231-A280 HydrophobicContact CB-CB 3.88Å; C231-A280 WeakPolarHBondContact CB-O 3.34Å; Y232-A280 VanDerWaalsContact CD1-O 3.28Å; Y232-A280 WeakPolarHBondContact CD1-O 3Å; Y232-A280 PolarHBondContact N-O 2.92Å; Y232-A280 VanDerWaalsContact N-O 3.12Å; Y232-A280 WeakPolarHBondContact O-CB 3.43Å; V276-A280 WeakPolarHBondContact O-CB 3.46Å; V276-A280 PolarHBondContact O-N 3.49Å; H277-A280 PolarHBondContact O-N 2.63Å; K278-A280 VanDerWaalsContact C-N 3.34Å; K278-A280 PolarHBondContact O-N 3.13Å |
| 281 | F | 98.3 | Very high | 97.4 | Very high | 9 Ų | 9 | 51.4 Ų | 51.4 | 4% | 0.039 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 1.6 | 175.6 | -65.2 | -88.6 | 0 | 0 | 0 | 114.2 | I83 Y230 C231 V247 A256 K257 H277 K278 A279 L283 | I83-F281 HydrophobicContact CD1-CE2 4.41Å; I83-F281 HydrophobicContact CG2-CE2 4.36Å; I83-F281 HydrophobicContact CG2-CZ 4.06Å; Y230-F281 WeakPolarHBondContact O-CD1 3.5Å; C231-F281 HydrophobicContact CB-CD1 3.7Å; C231-F281 HydrophobicContact CB-CD2 4.05Å; C231-F281 HydrophobicContact CB-CE1 3.63Å; C231-F281 HydrophobicContact CB-CE2 3.96Å; C231-F281 HydrophobicContact CB-CG 3.9Å; C231-F281 HydrophobicContact CB-CZ 3.76Å; V247-F281 HydrophobicContact CG2-CE1 4.22Å; V247-F281 HydrophobicContact CG2-CZ 3.95Å; A256-F281 HydrophobicContact CB-CE1 3.84Å; A256-F281 HydrophobicContact CB-CZ 4.06Å; A256-F281 WeakPolarHBondContact O-CE2 3.36Å; A256-F281 WeakPolarHBondContact O-CZ 3.28Å; K257-F281 HydrophobicContact CB-CB 4.36Å; K257-F281 HydrophobicContact CB-CD2 4.43Å; K257-F281 HydrophobicContact CB-CG 4.44Å; K257-F281 HydrophobicContact CD-CB 3.93Å; K257-F281 HydrophobicContact CG-CB 3.67Å; K257-F281 HydrophobicContact CG-CD1 4.35Å; K257-F281 HydrophobicContact CG-CD2 4.36Å; K257-F281 HydrophobicContact CG-CG 3.89Å; H277-F281 AromaticContact CD2-CE2 3.65Å; H277-F281 AromaticContact NE2-CE2 3.69Å; H277-F281 WeakPolarHBondContact O-CD2 3.45Å; K278-F281 PolarHBondContact O-N 3.33Å; A279-F281 PolarHBondContact O-N 3.44Å; A279-F281 VanDerWaalsContact O-N 3.15Å; F281-L283 PolarHBondContact O-N 3.29Å |
| 282 | N | 97.1 | Very high | 97.1 | Very high | 103 Ų | 103 | 54.3 Ų | 54.3 | 55% | 0.551 | 28% | 0.283 | S | S | * | . | trans | -92.1 | 84.3 | 175.4 | -69.7 | -32.5 | 0 | 0 | 0 | 109.9 | A279 | A279-N282 WeakPolarHBondContact O-CB 3.4Å; A279-N282 PolarHBondContact O-N 2.99Å | ||
| 283 | L | 97.7 | Very high | 96.5 | Very high | 34 Ų | 34 | 60.2 Ų | 60.2 | 18% | 0.178 | 32% | 0.315 | C | S | . | . | trans | -73.2 | 145.8 | -175.3 | -51.5 | -176.5 | 0 | 0 | 0 | 112.3 | Y230 Y232 F281 A287 K288 L291 | Y230-L283 HydrophobicContact CD1-CD1 3.99Å; Y230-L283 HydrophobicContact CD1-CD2 3.8Å; Y230-L283 HydrophobicContact CE1-CD2 4.3Å; Y232-L283 HydrophobicContact CD1-CD2 3.73Å; Y232-L283 HydrophobicContact CE1-CD2 4.15Å; F281-L283 PolarHBondContact O-N 3.29Å; L283-A287 HydrophobicContact CB-CB 4.31Å; L283-K288 HydrophobicContact CB-CB 4.27Å; L283-L291 HydrophobicContact CD1-CD1 3.74Å | ||
| 284 | P | 97.4 | Very high | 96 | Very high | 45 Ų | 45 | 58.4 Ų | 58.4 | 29% | 0.292 | 31% | 0.308 | S | S | . | . | trans | -52.5 | 148 | 165.5 | -25.5 | 34.9 | 0 | 0 | 0 | 111.5 | I207 F286 A287 K288 | I207-P284 HydrophobicContact CD1-CG 3.99Å; P284-F286 HydrophobicContact CB-CD1 3.76Å; P284-F286 HydrophobicContact CB-CE1 3.57Å; P284-F286 HydrophobicContact CG-CE1 4.16Å; P284-F286 PolarHBondContact O-N 3.46Å; P284-A287 PolarHBondContact O-N 3.47Å; P284-K288 PolarHBondContact O-N 2.78Å | ||
| 285 | A | 97.7 | Very high | 95.9 | Very high | 60 Ų | 60 | 60.1 Ų | 60.1 | 50% | 0.496 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.7 | -31.3 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114 | R289 | A285-R289 WeakPolarHBondContact O-CG 3.31Å; A285-R289 PolarHBondContact O-N 2.87Å; A285-R289 VanDerWaalsContact O-N 3.12Å; A285-R289 PolarHBondContact O-NH1 3.23Å |
| 286 | F | 97.1 | Very high | 95.9 | Very high | 65 Ų | 65 | 56.9 Ų | 56.9 | 29% | 0.285 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.4 | -48.4 | 177.1 | 78.1 | -90.2 | 0 | 0 | 0 | 111.6 | I207 W208 M211 P284 K288 R289 T290 | I207-F286 HydrophobicContact CB-CZ 4.4Å; I207-F286 HydrophobicContact CD1-CZ 4.2Å; I207-F286 HydrophobicContact CG1-CZ 4.29Å; I207-F286 WeakPolarHBondContact O-CE2 3.1Å; W208-F286 HydrophobicContact CD2-CZ 4.43Å; W208-F286 HydrophobicContact CE3-CZ 4.27Å; W208-F286 HydrophobicContact CH2-CE1 4.19Å; W208-F286 HydrophobicContact CZ2-CE1 4.49Å; W208-F286 HydrophobicContact CZ3-CE1 4.25Å; W208-F286 HydrophobicContact CZ3-CZ 4.36Å; M211-F286 HydrophobicContact CG-CE2 4.41Å; M211-F286 HydrophobicContact SD-CE2 4.49Å; P284-F286 HydrophobicContact CB-CD1 3.76Å; P284-F286 HydrophobicContact CB-CE1 3.57Å; P284-F286 HydrophobicContact CG-CE1 4.16Å; P284-F286 PolarHBondContact O-N 3.46Å; F286-K288 PolarHBondContact O-N 2.88Å; F286-R289 PolarHBondContact O-N 2.67Å; F286-T290 PolarHBondContact O-N 2.85Å; F286-T290 VanDerWaalsContact O-N 3.13Å; F286-T290 PolarHBondContact O-OG1 3.11Å |
| 287 | A | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.4 | -43.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | I207 M211 L283 P284 R289 T290 L291 | I207-A287 HydrophobicContact CB-CB 4.22Å; I207-A287 HydrophobicContact CD1-CB 4.37Å; I207-A287 HydrophobicContact CG2-CB 4.16Å; M211-A287 HydrophobicContact CE-CB 4.3Å; M211-A287 HydrophobicContact SD-CB 4.16Å; L283-A287 HydrophobicContact CB-CB 4.31Å; P284-A287 PolarHBondContact O-N 3.47Å; A287-R289 PolarHBondContact O-N 3.14Å; A287-T290 PolarHBondContact O-N 2.93Å; A287-L291 WeakPolarHBondContact O-CG 3.44Å; A287-L291 PolarHBondContact O-N 2.89Å |
| 288 | K | 96.6 | Very high | 95.6 | Very high | 107 Ų | 107 | 61.1 Ų | 61.1 | 47% | 0.465 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -53.7 | -52.4 | 174.6 | -177 | 176 | 173.1 | -179.1 | 0 | 111.9 | L283 P284 F286 T290 L291 E292 | L283-K288 HydrophobicContact CB-CB 4.27Å; P284-K288 PolarHBondContact O-N 2.78Å; F286-K288 PolarHBondContact O-N 2.88Å; K288-T290 VanDerWaalsContact C-N 3.32Å; K288-T290 PolarHBondContact O-N 3.46Å; K288-L291 PolarHBondContact O-N 3.25Å; K288-E292 WeakPolarHBondContact CE-OE1 3.37Å; K288-E292 HydrophobicContact CG-CG 4.35Å; K288-E292 IonicContact NZ-OE1 3.26Å; K288-E292 WeakPolarHBondContact O-CB 3.28Å; K288-E292 VanDerWaalsContact O-CG 3.3Å; K288-E292 WeakPolarHBondContact O-CG 3.39Å; K288-E292 PolarHBondContact O-N 3.26Å |
| 289 | R | 96.2 | Very high | 95.4 | Very high | 143 Ų | 143 | 59.8 Ų | 59.8 | 54% | 0.54 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.9 | -40.5 | 179.6 | -76.9 | -172.9 | -58.8 | -94.9 | 3.3 | 112.5 | A285 F286 A287 N293 | A285-R289 WeakPolarHBondContact O-CG 3.31Å; A285-R289 PolarHBondContact O-N 2.87Å; A285-R289 VanDerWaalsContact O-N 3.12Å; A285-R289 PolarHBondContact O-NH1 3.23Å; F286-R289 PolarHBondContact O-N 2.67Å; A287-R289 PolarHBondContact O-N 3.14Å; R289-N293 PolarHBondContact O-ND2 3.33Å |
| 290 | T | 95.8 | Very high | 95.3 | Very high | 53 Ų | 53 | 60.6 Ų | 60.6 | 33% | 0.325 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.9 | -45 | 179.9 | -58.6 | 0 | 0 | 0 | 0 | 111.4 | M211 S215 F286 A287 K288 N293 A294 | M211-T290 HydrophobicContact CE-CG2 3.44Å; M211-T290 VanDerWaalsContact CE-CG2 3.44Å; S215-T290 WeakPolarHBondContact OG-CG2 3.25Å; F286-T290 PolarHBondContact O-N 2.85Å; F286-T290 VanDerWaalsContact O-N 3.13Å; F286-T290 PolarHBondContact O-OG1 3.11Å; A287-T290 PolarHBondContact O-N 2.93Å; K288-T290 VanDerWaalsContact C-N 3.32Å; K288-T290 PolarHBondContact O-N 3.46Å; T290-N293 CarbonylContact O-C 3.58Å; T290-N293 PolarHBondContact O-N 3.33Å; T290-A294 PolarHBondContact O-N 2.67Å |
| 291 | L | 95.4 | Very high | 95 | Very high | 16 Ų | 16 | 64.6 Ų | 64.6 | 8% | 0.084 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -75.2 | -25 | -177.9 | -59.7 | -172.6 | 0 | 0 | 0 | 114.1 | M211 I214 V218 Y230 L283 A287 K288 N293 A294 | M211-L291 HydrophobicContact CE-CD2 3.87Å; M211-L291 HydrophobicContact CE-CG 4.08Å; I214-L291 HydrophobicContact CB-CD2 4.46Å; I214-L291 HydrophobicContact CG2-CD1 4.24Å; I214-L291 HydrophobicContact CG2-CD2 3.67Å; V218-L291 HydrophobicContact CG2-CD2 4.28Å; Y230-L291 HydrophobicContact CD1-CD1 3.9Å; Y230-L291 HydrophobicContact CD2-CD1 4.29Å; Y230-L291 HydrophobicContact CG-CD1 3.68Å; L283-L291 HydrophobicContact CD1-CD1 3.74Å; A287-L291 WeakPolarHBondContact O-CG 3.44Å; A287-L291 PolarHBondContact O-N 2.89Å; K288-L291 PolarHBondContact O-N 3.25Å; L291-N293 PolarHBondContact O-N 3.14Å; L291-A294 PolarHBondContact O-N 2.68Å |
| 292 | E | 90.8 | Very high | 94.8 | Very high | 119 Ų | 119 | 68.8 Ų | 68.8 | 56% | 0.556 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -65.4 | -27.6 | 169.4 | -77.1 | 173.9 | 164 | 0 | 0 | 112 | K288 | K288-E292 WeakPolarHBondContact CE-OE1 3.37Å; K288-E292 HydrophobicContact CG-CG 4.35Å; K288-E292 IonicContact NZ-OE1 3.26Å; K288-E292 WeakPolarHBondContact O-CB 3.28Å; K288-E292 VanDerWaalsContact O-CG 3.3Å; K288-E292 WeakPolarHBondContact O-CG 3.39Å; K288-E292 PolarHBondContact O-N 3.26Å |
| 293 | N | 87.1 | Confident | 94.6 | Very high | 127 Ų | 127 | 66 Ų | 66 | 68% | 0.679 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | 1.5 | 178.7 | -66.8 | -52.9 | 0 | 0 | 0 | 113.9 | R219 R289 T290 L291 | R219-N293 PolarHBondContact NH1-O 3.45Å; R289-N293 PolarHBondContact O-ND2 3.33Å; T290-N293 CarbonylContact O-C 3.58Å; T290-N293 PolarHBondContact O-N 3.33Å; L291-N293 PolarHBondContact O-N 3.14Å |
| 294 | A | 85.9 | Confident | 94.3 | Very high | 23 Ų | 23 | 68.9 Ų | 68.9 | 19% | 0.19 | 36% | 0.356 | C | S | . | . | trans | -78.9 | 0 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | V218 R219 K222 T290 L291 | V218-A294 HydrophobicContact CB-CB 4.28Å; V218-A294 HydrophobicContact CG1-CB 4.02Å; R219-A294 HydrophobicContact CG-CB 4.33Å; R219-A294 WeakPolarHBondContact CG-O 3.27Å; R219-A294 PolarHBondContact NH1-O 2.81Å; K222-A294 PolarHBondContact NZ-OXT 2.86Å; T290-A294 PolarHBondContact O-N 2.67Å; L291-A294 PolarHBondContact O-N 2.68Å |
Retrieved 294 of 294 residues in 332.5 ms
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