| 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 | 87.1 | Confident | 91.2 | Very high | 34 Ų | 34 | 44.4 Ų | 44.4 | 17% | 0.167 | 25% | 0.251 | C | S | . | . | 0 | 138.9 | 0 | 174.1 | 174.9 | -80.9 | 0 | 0 | 108.4 | V17 Y101 K102 I104 I171 | M1-V17 HydrophobicContact CE-CG1 3.8Å; M1-V17 HydrophobicContact CG-CG1 3.52Å; M1-V17 HydrophobicContact SD-CG1 3.46Å; M1-V17 WeakPolarHBondContact SD-CG1 3.45Å; M1-V17 HydrophobicContact SD-CG2 4.21Å; M1-Y101 WeakPolarHBondContact O-CD2 3.31Å; M1-K102 PolarHBondContact N-O 3.47Å; M1-K102 PolarHBondContact O-N 3.17Å; M1-I104 HydrophobicContact CB-CD1 3.93Å; M1-I104 HydrophobicContact CB-CG1 4.23Å; M1-I104 HydrophobicContact CE-CD1 3.57Å; M1-I104 HydrophobicContact CG-CD1 4.48Å; M1-I104 HydrophobicContact SD-CD1 3.74Å; M1-I171 HydrophobicContact CE-CG2 3.75Å | |||
| 2 | W | 90.5 | Very high | 91.1 | Very high | 10 Ų | 10 | 47.3 Ų | 47.3 | 4% | 0.038 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 131 | 177.1 | -71.7 | 94.8 | 0 | 0 | 0 | 110.6 | V17 I18 T51 N52 C55 F57 L99 Y101 | W2-V17 WeakPolarHBondContact O-CA 3.47Å; W2-I18 HydrophobicContact CB-CB 4.17Å; W2-I18 PolarHBondContact O-N 2.88Å; W2-T51 VanDerWaalsContact CD1-O 3.29Å; W2-T51 PolarHBondContact NE1-O 3.18Å; W2-N52 PolarHBondContact NE1-O 3.44Å; W2-C55 HydrophobicContact CH2-CB 4.17Å; W2-C55 HydrophobicContact CZ2-CB 3.78Å; W2-C55 VanDerWaalsContact CZ2-SG 3.59Å; W2-C55 PolarHBondContact NE1-SG 3.41Å; W2-F57 HydrophobicContact CB-CZ 4.19Å; W2-F57 AromaticContact CD2-CE2 3.81Å; W2-F57 HydrophobicContact CD2-CE2 3.81Å; W2-F57 HydrophobicContact CD2-CZ 4.09Å; W2-F57 AromaticContact CE3-CE2 3.6Å; W2-F57 HydrophobicContact CE3-CE2 3.6Å; W2-F57 HydrophobicContact CE3-CZ 4.15Å; W2-F57 HydrophobicContact CG-CE2 4.31Å; W2-F57 HydrophobicContact CG-CZ 4.11Å; W2-F57 HydrophobicContact CH2-CE2 4.34Å; W2-F57 AromaticContact CZ3-CE2 3.87Å; W2-F57 HydrophobicContact CZ3-CE2 3.87Å; W2-L99 HydrophobicContact CE3-CD1 3.9Å; W2-L99 HydrophobicContact CE3-CG 4.08Å; W2-L99 HydrophobicContact CZ3-CD1 4.38Å; W2-L99 HydrophobicContact CZ3-CD2 4.19Å; W2-L99 HydrophobicContact CZ3-CG 4.07Å; W2-Y101 AromaticContact CD1-CD2 3.77Å; W2-Y101 AromaticContact CD2-CD2 3.8Å; W2-Y101 HydrophobicContact CD2-CD2 3.8Å; W2-Y101 HydrophobicContact CD2-CG 4.41Å; W2-Y101 AromaticContact CE2-CD2 3.46Å; W2-Y101 VanDerWaalsContact CE2-CD2 3.46Å; W2-Y101 AromaticContact CG-CD2 3.99Å; W2-Y101 HydrophobicContact CG-CD2 3.99Å; W2-Y101 HydrophobicContact CZ2-CD2 4Å; W2-Y101 HydrophobicContact CZ2-CG 4.31Å; W2-Y101 AromaticContact NE1-CD2 3.4Å; W2-Y101 AromaticContact NE1-CE2 3.83Å |
| 3 | E | 92.5 | Very high | 91.1 | Very high | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.019 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 136.7 | 177.6 | -67.9 | -176.2 | 174.1 | 0 | 0 | 109.9 | Q5 T15 F16 I100 K102 K182 | E3-Q5 HydrophobicContact CB-CG 4.48Å; E3-Q5 PolarHBondContact OE2-NE2 2.86Å; E3-T15 HydrophobicContact CB-CG2 3.88Å; E3-T15 HydrophobicContact CG-CG2 3.82Å; E3-F16 CarbonylContact C-O 3.47Å; E3-F16 VanDerWaalsContact CA-O 3.25Å; E3-F16 WeakPolarHBondContact CA-O 3.24Å; E3-I100 PolarHBondContact N-O 3.29Å; E3-I100 PolarHBondContact O-N 2.87Å; E3-K102 IonicContact OE1-NZ 2.67Å; E3-K102 WeakPolarHBondContact OE2-CD 3.37Å; E3-K102 WeakPolarHBondContact OE2-CE 3.19Å; E3-K102 IonicContact OE2-NZ 2.8Å; E3-K102 PolarHBondContact OE2-NZ 2.95Å; E3-K182 IonicContact OE1-NZ 3.07Å; E3-K182 PolarHBondContact OE1-NZ 3.37Å |
| 4 | L | 94.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 115.7 | 163.3 | -171.7 | 72.7 | 0 | 0 | 0 | 107.8 | F16 I18 F26 I33 M46 F97 L99 | L4-F16 HydrophobicContact CB-CB 4.48Å; L4-F16 PolarHBondContact N-O 3.36Å; L4-F16 PolarHBondContact O-N 3.01Å; L4-I18 HydrophobicContact CB-CD1 4.44Å; L4-F26 HydrophobicContact CD2-CE1 4.08Å; L4-F26 HydrophobicContact CD2-CZ 3.8Å; L4-I33 HydrophobicContact CD2-CD1 3.49Å; L4-I33 VanDerWaalsContact CD2-CD1 3.49Å; L4-M46 HydrophobicContact CD2-CE 4.33Å; L4-F97 HydrophobicContact CD1-CB 4.11Å; L4-F97 HydrophobicContact CD2-CD1 4.35Å; L4-F97 HydrophobicContact CG-CB 4.34Å; L4-L99 HydrophobicContact CD1-CB 4.22Å |
| 5 | Q | 95 | Very high | 91.3 | Very high | 12 Ų | 12 | 53.6 Ų | 53.6 | 6% | 0.056 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 115.3 | -174.1 | -73.5 | 168.1 | 27.4 | 0 | 0 | 110.4 | E3 F7 L12 T15 F97 I98 | E3-Q5 HydrophobicContact CB-CG 4.48Å; E3-Q5 PolarHBondContact OE2-NE2 2.86Å; Q5-F7 HydrophobicContact CB-CD2 4.24Å; Q5-F7 HydrophobicContact CB-CE2 3.64Å; Q5-F7 HydrophobicContact CB-CZ 4.48Å; Q5-L12 HydrophobicContact CB-CD1 3.68Å; Q5-L12 HydrophobicContact CG-CD1 3.99Å; Q5-T15 HydrophobicContact CG-CG2 4.04Å; Q5-F97 CarbonylContact O-C 3.5Å; Q5-F97 WeakPolarHBondContact O-CA 3.25Å; Q5-I98 PolarHBondContact N-O 2.95Å; Q5-I98 PolarHBondContact O-N 2.65Å |
| 6 | E | 94.9 | Very high | 91.5 | Very high | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.019 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 112.8 | 173.8 | 179.9 | -173.2 | 171.3 | 0 | 0 | 109.3 | N13 R14 F16 K95 F97 | E6-N13 VanDerWaalsContact CD-ND2 3.34Å; E6-N13 HydrophobicContact CG-CB 4.32Å; E6-N13 WeakPolarHBondContact O-CA 3.42Å; E6-N13 WeakPolarHBondContact O-CB 3.36Å; E6-N13 PolarHBondContact O-N 2.83Å; E6-N13 PolarHBondContact OE1-ND2 3.02Å; E6-R14 HydrophobicContact CB-CB 4.19Å; E6-R14 PolarHBondContact N-O 3.26Å; E6-R14 PolarHBondContact O-N 2.77Å; E6-F16 HydrophobicContact CB-CE2 4.1Å; E6-K95 HydrophobicContact CG-CD 4.43Å; E6-K95 WeakPolarHBondContact OE1-CD 3.4Å; E6-K95 WeakPolarHBondContact OE1-CE 3.44Å; E6-K95 IonicContact OE1-NZ 2.85Å; E6-K95 PolarHBondContact OE1-NZ 3.19Å; E6-F97 HydrophobicContact CB-CD1 3.94Å; E6-F97 HydrophobicContact CB-CE1 3.72Å; E6-F97 HydrophobicContact CG-CD1 4.23Å; E6-F97 HydrophobicContact CG-CE1 3.62Å; E6-F97 HydrophobicContact CG-CZ 4.03Å |
| 7 | F | 93.7 | Very high | 91.6 | Very high | 41 Ų | 41 | 47.8 Ų | 47.8 | 18% | 0.18 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 142.9 | 169.9 | -69.8 | -98.2 | 0 | 0 | 0 | 110.3 | Q5 V11 L12 K95 K96 I98 | Q5-F7 HydrophobicContact CB-CD2 4.24Å; Q5-F7 HydrophobicContact CB-CE2 3.64Å; Q5-F7 HydrophobicContact CB-CZ 4.48Å; F7-V11 CarbonylContact C-O 3.42Å; F7-V11 VanDerWaalsContact CA-O 3.31Å; F7-V11 WeakPolarHBondContact CA-O 3.45Å; F7-L12 HydrophobicContact CD1-CB 4.15Å; F7-L12 HydrophobicContact CD2-CD1 4.31Å; F7-L12 HydrophobicContact CE1-CB 3.84Å; F7-L12 HydrophobicContact CE1-CD1 4.26Å; F7-L12 HydrophobicContact CE2-CD1 3.97Å; F7-L12 HydrophobicContact CZ-CB 4.3Å; F7-L12 HydrophobicContact CZ-CD1 3.94Å; F7-K95 VanDerWaalsContact O-CA 3.28Å; F7-K95 WeakPolarHBondContact O-CA 3.45Å; F7-K96 HydrophobicContact CB-CB 4.45Å; F7-K96 PolarHBondContact N-O 3.04Å; F7-K96 PolarHBondContact O-N 3.2Å; F7-I98 HydrophobicContact CD2-CD1 3.96Å; F7-I98 HydrophobicContact CD2-CG1 4.13Å; F7-I98 HydrophobicContact CE2-CB 4.38Å; F7-I98 HydrophobicContact CE2-CD1 3.74Å; F7-I98 HydrophobicContact CE2-CG1 4.12Å; F7-I98 HydrophobicContact CZ-CD1 4.46Å |
| 8 | S | 91.3 | Very high | 91.5 | Very high | 48 Ų | 48 | 45.2 Ų | 45.2 | 34% | 0.336 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 106.9 | 167.7 | -66.6 | 0 | 0 | 0 | 0 | 108 | E10 V11 N94 | S8-E10 PolarHBondContact O-N 3.03Å; S8-V11 PolarHBondContact N-O 2.89Å; S8-V11 PolarHBondContact O-N 2.84Å; S8-V11 VanDerWaalsContact O-N 3.15Å; S8-N94 WeakPolarHBondContact CA-O 3.23Å |
| 9 | G | 88.2 | Confident | 91.2 | Very high | 42 Ų | 42 | 44 Ų | 44 | 43% | 0.433 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | -121.3 | -161.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | N94 | G9-N94 PolarHBondContact N-O 3.5Š|
| 10 | E | 86.7 | Confident | 90.9 | Very high | 189 Ų | 189 | 45.9 Ų | 45.9 | 88% | 0.883 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97 | -7 | 174.6 | -58.8 | -172 | 153.2 | 0 | 0 | 113.1 | S8 | S8-E10 PolarHBondContact O-N 3.03Š|
| 11 | V | 89.2 | Confident | 90.7 | Very high | 104 Ų | 104 | 46.6 Ų | 46.6 | 63% | 0.63 | 25% | 0.247 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 125.1 | -176.1 | -177.1 | 0 | 0 | 0 | 0 | 110.4 | F7 S8 N13 | F7-V11 CarbonylContact C-O 3.42Å; F7-V11 VanDerWaalsContact CA-O 3.31Å; F7-V11 WeakPolarHBondContact CA-O 3.45Å; S8-V11 PolarHBondContact N-O 2.89Å; S8-V11 PolarHBondContact O-N 2.84Å; S8-V11 VanDerWaalsContact O-N 3.15Å; V11-N13 PolarHBondContact O-N 2.64Å; V11-N13 VanDerWaalsContact O-N 3.14Å |
| 12 | L | 89.9 | Confident | 90.8 | Very high | 80 Ų | 80 | 46.4 Ų | 46.4 | 42% | 0.419 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 109.3 | 169.4 | 179.1 | 63.2 | 0 | 0 | 0 | 109.6 | Q5 F7 R14 | Q5-L12 HydrophobicContact CB-CD1 3.68Å; Q5-L12 HydrophobicContact CG-CD1 3.99Å; F7-L12 HydrophobicContact CD1-CB 4.15Å; F7-L12 HydrophobicContact CD2-CD1 4.31Å; F7-L12 HydrophobicContact CE1-CB 3.84Å; F7-L12 HydrophobicContact CE1-CD1 4.26Å; F7-L12 HydrophobicContact CE2-CD1 3.97Å; F7-L12 HydrophobicContact CZ-CB 4.3Å; F7-L12 HydrophobicContact CZ-CD1 3.94Å; L12-R14 WeakPolarHBondContact CD1-O 3.02Å |
| 13 | N | 90.5 | Very high | 90.7 | Very high | 81 Ų | 81 | 48.9 Ų | 48.9 | 43% | 0.433 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | -51.2 | -179.6 | -179.1 | 29.3 | 0 | 0 | 0 | 111 | E6 V11 | E6-N13 VanDerWaalsContact CD-ND2 3.34Å; E6-N13 HydrophobicContact CG-CB 4.32Å; E6-N13 WeakPolarHBondContact O-CA 3.42Å; E6-N13 WeakPolarHBondContact O-CB 3.36Å; E6-N13 PolarHBondContact O-N 2.83Å; E6-N13 PolarHBondContact OE1-ND2 3.02Å; V11-N13 PolarHBondContact O-N 2.64Å; V11-N13 VanDerWaalsContact O-N 3.14Å |
| 14 | R | 91.6 | Very high | 90.6 | Very high | 132 Ų | 132 | 48.7 Ų | 48.7 | 50% | 0.498 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 153.1 | -176.9 | -64 | -177.4 | 177 | 177.2 | -1.5 | 111.6 | E6 L12 F16 | E6-R14 HydrophobicContact CB-CB 4.19Å; E6-R14 PolarHBondContact N-O 3.26Å; E6-R14 PolarHBondContact O-N 2.77Å; L12-R14 WeakPolarHBondContact CD1-O 3.02Å; R14-F16 HydrophobicContact CB-CE2 4.05Å; R14-F16 HydrophobicContact CB-CZ 3.98Å |
| 15 | T | 94.2 | Very high | 90.5 | Very high | 23 Ų | 23 | 52.6 Ų | 52.6 | 14% | 0.141 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 126.4 | 165.8 | -58.1 | 0 | 0 | 0 | 0 | 108.1 | E3 Q5 K182 | E3-T15 HydrophobicContact CB-CG2 3.88Å; E3-T15 HydrophobicContact CG-CG2 3.82Å; Q5-T15 HydrophobicContact CG-CG2 4.04Å; T15-K182 HydrophobicContact CG2-CB 4.14Å; T15-K182 HydrophobicContact CG2-CD 3.75Å; T15-K182 WeakPolarHBondContact O-CB 3.36Å; T15-K182 PolarHBondContact O-N 3.45Å |
| 16 | F | 94.2 | Very high | 90.2 | Very high | 8 Ų | 8 | 52 Ų | 52 | 4% | 0.035 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 149.6 | 170.2 | -50.7 | -83.1 | 0 | 0 | 0 | 109.2 | E3 L4 E6 R14 F179 A180 | E3-F16 CarbonylContact C-O 3.47Å; E3-F16 VanDerWaalsContact CA-O 3.25Å; E3-F16 WeakPolarHBondContact CA-O 3.24Å; L4-F16 HydrophobicContact CB-CB 4.48Å; L4-F16 PolarHBondContact N-O 3.36Å; L4-F16 PolarHBondContact O-N 3.01Å; E6-F16 HydrophobicContact CB-CE2 4.1Å; R14-F16 HydrophobicContact CB-CE2 4.05Å; R14-F16 HydrophobicContact CB-CZ 3.98Å; F16-F179 HydrophobicContact CB-CD2 4.09Å; F16-F179 HydrophobicContact CB-CE1 4.39Å; F16-F179 HydrophobicContact CB-CE2 3.27Å; F16-F179 HydrophobicContact CB-CZ 3.45Å; F16-F179 VanDerWaalsContact CB-CZ 3.45Å; F16-F179 AromaticContact CD1-CE1 3.78Å; F16-F179 HydrophobicContact CD1-CE1 3.78Å; F16-F179 HydrophobicContact CD1-CE2 4.14Å; F16-F179 AromaticContact CD1-CZ 3.36Å; F16-F179 HydrophobicContact CD1-CZ 3.36Å; F16-F179 HydrophobicContact CD2-CE2 4.29Å; F16-F179 AromaticContact CD2-CZ 3.89Å; F16-F179 HydrophobicContact CD2-CZ 3.89Å; F16-F179 HydrophobicContact CE1-CE1 4.3Å; F16-F179 HydrophobicContact CE1-CZ 4.02Å; F16-F179 HydrophobicContact CE2-CZ 4.48Å; F16-F179 HydrophobicContact CG-CE1 4.16Å; F16-F179 AromaticContact CG-CE2 3.67Å; F16-F179 HydrophobicContact CG-CE2 3.67Å; F16-F179 AromaticContact CG-CZ 3.28Å; F16-F179 HydrophobicContact CG-CZ 3.28Å; F16-A180 CarbonylContact C-O 3.55Å; F16-A180 VanDerWaalsContact CA-O 3.31Å; F16-A180 WeakPolarHBondContact CA-O 3.22Å |
| 17 | V | 92.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 138.5 | 176.9 | -168.9 | 0 | 0 | 0 | 0 | 109.1 | M1 W2 N19 I174 F179 A180 K182 | M1-V17 HydrophobicContact CE-CG1 3.8Å; M1-V17 HydrophobicContact CG-CG1 3.52Å; M1-V17 HydrophobicContact SD-CG1 3.46Å; M1-V17 WeakPolarHBondContact SD-CG1 3.45Å; M1-V17 HydrophobicContact SD-CG2 4.21Å; W2-V17 WeakPolarHBondContact O-CA 3.47Å; V17-N19 WeakPolarHBondContact CG1-ND2 3.24Å; V17-N19 VanDerWaalsContact CG1-OD1 3.23Å; V17-N19 WeakPolarHBondContact CG1-OD1 3.3Å; V17-I174 HydrophobicContact CB-CD1 3.99Å; V17-I174 HydrophobicContact CG1-CD1 4.5Å; V17-I174 HydrophobicContact CG2-CD1 3.65Å; V17-F179 WeakPolarHBondContact O-CA 3.46Å; V17-A180 PolarHBondContact N-O 2.86Å; V17-A180 PolarHBondContact O-N 3.34Å; V17-A180 VanDerWaalsContact O-N 3.11Å; V17-K182 HydrophobicContact CG2-CB 3.6Å; V17-K182 HydrophobicContact CG2-CD 4.2Å; V17-K182 HydrophobicContact CG2-CG 3.72Å |
| 18 | I | 91 | Very high | 89.4 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 115.8 | 174 | -47.1 | 177.1 | 0 | 0 | 0 | 107.9 | W2 L4 I24 M46 V48 T51 F57 L99 T178 F179 | W2-I18 HydrophobicContact CB-CB 4.17Å; W2-I18 PolarHBondContact O-N 2.88Å; L4-I18 HydrophobicContact CB-CD1 4.44Å; I18-I24 HydrophobicContact CD1-CD1 3.8Å; I18-I24 HydrophobicContact CG1-CD1 3.93Å; I18-I24 HydrophobicContact CG2-CD1 4.14Å; I18-M46 HydrophobicContact CD1-CE 3.57Å; I18-V48 HydrophobicContact CG2-CB 4.43Å; I18-V48 HydrophobicContact CG2-CG1 3.79Å; I18-V48 HydrophobicContact CG2-CG2 3.85Å; I18-T51 HydrophobicContact CG2-CG2 4.3Å; I18-F57 HydrophobicContact CD1-CD1 4.44Å; I18-F57 HydrophobicContact CD1-CE1 3.51Å; I18-F57 HydrophobicContact CD1-CZ 3.88Å; I18-F57 HydrophobicContact CG2-CE1 4.13Å; I18-L99 HydrophobicContact CD1-CD1 4.27Å; I18-T178 WeakPolarHBondContact CA-O 3.22Å; I18-T178 WeakPolarHBondContact CG2-O 3.39Å; I18-F179 HydrophobicContact CG1-CD2 4.34Å |
| 19 | N | 85.7 | Confident | 89 | Confident | 22 Ų | 22 | 52.4 Ų | 52.4 | 12% | 0.118 | 29% | 0.293 | C | S | . | . | trans | -120.9 | -19.8 | -170.4 | -64.7 | -58.7 | 0 | 0 | 0 | 114.9 | V17 I174 T178 | V17-N19 WeakPolarHBondContact CG1-ND2 3.24Å; V17-N19 VanDerWaalsContact CG1-OD1 3.23Å; V17-N19 WeakPolarHBondContact CG1-OD1 3.3Å; N19-I174 PolarHBondContact ND2-O 3.47Å; N19-T178 PolarHBondContact N-O 2.98Å; N19-T178 VanDerWaalsContact N-O 3.16Å | ||
| 20 | Q | 84.2 | Confident | 88.7 | Confident | 81 Ų | 81 | 54.1 Ų | 54.1 | 38% | 0.379 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -136.3 | 158.6 | 178.5 | -54 | -64.5 | -28.3 | 0 | 0 | 110 | Q175 | Q20-Q175 PolarHBondContact NE2-O 3.24Š|
| 21 | P | 87.1 | Confident | 88.8 | Confident | 61 Ų | 61 | 46.1 Ų | 46.1 | 40% | 0.396 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -54.2 | 161.1 | 163.4 | -26.9 | 36.6 | 0 | 0 | 0 | 113.3 | V48 T178 | P21-V48 CarbonylContact C-O 3.55Å; P21-V48 WeakPolarHBondContact CA-O 3.44Å; P21-V48 WeakPolarHBondContact CB-O 3.46Å; P21-T178 PolarHBondContact O-OG1 3.08Å |
| 22 | G | 89 | Confident | 88.8 | Confident | 31 Ų | 31 | 44.9 Ų | 44.9 | 32% | 0.32 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 146.5 | -151.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V48 | G22-V48 PolarHBondContact N-O 3.46Å; G22-V48 PolarHBondContact O-N 3.39Å |
| 23 | V | 89.4 | Confident | 88.9 | Confident | 62 Ų | 62 | 41.1 Ų | 41.1 | 38% | 0.376 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 134.9 | -179.9 | -170.8 | 0 | 0 | 0 | 0 | 109.1 | K45 Y47 | V23-K45 HydrophobicContact CG1-CB 3.93Å; V23-K45 HydrophobicContact CG1-CD 4.23Å; V23-K45 HydrophobicContact CG1-CG 4.21Å; V23-Y47 HydrophobicContact CG1-CD1 4.3Å; V23-Y47 HydrophobicContact CG1-CE1 4.31Å; V23-Y47 HydrophobicContact CG2-CD1 3.68Å; V23-Y47 HydrophobicContact CG2-CE1 3.96Å |
| 24 | I | 90.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 123.2 | 174 | -66.6 | 159.8 | 0 | 0 | 0 | 108 | I18 F26 D32 I33 K45 M46 V48 T178 F179 | I18-I24 HydrophobicContact CD1-CD1 3.8Å; I18-I24 HydrophobicContact CG1-CD1 3.93Å; I18-I24 HydrophobicContact CG2-CD1 4.14Å; I24-F26 HydrophobicContact CG2-CD2 4.46Å; I24-F26 HydrophobicContact CG2-CE2 3.93Å; I24-F26 HydrophobicContact CG2-CZ 4.4Å; I24-D32 HydrophobicContact CG2-CB 4.25Å; I24-I33 HydrophobicContact CG2-CD1 3.73Å; I24-I33 HydrophobicContact CG2-CG1 4.34Å; I24-K45 WeakPolarHBondContact O-CA 3.45Å; I24-M46 HydrophobicContact CB-CB 4.46Å; I24-M46 HydrophobicContact CB-CE 4.33Å; I24-M46 HydrophobicContact CD1-CE 3.61Å; I24-M46 PolarHBondContact N-O 3.12Å; I24-M46 PolarHBondContact O-N 3.17Å; I24-V48 HydrophobicContact CD1-CG2 3.76Å; I24-V48 HydrophobicContact CG1-CG2 4.39Å; I24-T178 HydrophobicContact CG1-CG2 4.44Å; I24-F179 HydrophobicContact CD1-CB 4.04Å; I24-F179 HydrophobicContact CD1-CD2 3.47Å; I24-F179 VanDerWaalsContact CD1-CD2 3.47Å; I24-F179 HydrophobicContact CD1-CE2 4.22Å; I24-F179 HydrophobicContact CD1-CG 4.08Å; I24-F179 HydrophobicContact CG1-CB 3.8Å; I24-F179 HydrophobicContact CG1-CD2 3.8Å; I24-F179 HydrophobicContact CG1-CG 3.95Å; I24-F179 HydrophobicContact CG2-CD2 4.06Å; I24-F179 HydrophobicContact CG2-CE2 4.02Å; I24-F179 HydrophobicContact CG2-CG 4.4Å; I24-F179 HydrophobicContact CG2-CZ 4.37Å |
| 25 | K | 90.3 | Very high | 88.5 | Confident | 82 Ų | 82 | 33.6 Ų | 33.6 | 36% | 0.357 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 137.2 | -176.4 | -58 | 176.6 | 170.2 | -127.5 | 0 | 111.5 | C31 D32 I33 E42 | K25-C31 HydrophobicContact CB-CB 4.07Å; K25-C31 VanDerWaalsContact CB-SG 3.53Å; K25-C31 WeakPolarHBondContact O-CB 3.46Å; K25-D32 WeakPolarHBondContact CB-OD2 3.35Å; K25-D32 PolarHBondContact N-OD2 2.67Å; K25-D32 PolarHBondContact O-N 2.92Å; K25-I33 PolarHBondContact O-N 3.2Å; K25-E42 HydrophobicContact CB-CG 4.48Å; K25-E42 VanDerWaalsContact CD-OE2 3.3Å; K25-E42 WeakPolarHBondContact CD-OE2 3.37Å; K25-E42 VanDerWaalsContact CE-OE2 3.24Å; K25-E42 WeakPolarHBondContact CE-OE2 3.16Å; K25-E42 IonicContact NZ-OE2 2.9Å; K25-E42 PolarHBondContact NZ-OE2 2.87Å |
| 26 | F | 89.8 | Confident | 87.8 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 128 | 177 | -64.8 | -107.4 | 0 | 0 | 0 | 108.7 | L4 I24 C31 I33 L35 V43 A44 M46 L59 F89 F97 | L4-F26 HydrophobicContact CD2-CE1 4.08Å; L4-F26 HydrophobicContact CD2-CZ 3.8Å; I24-F26 HydrophobicContact CG2-CD2 4.46Å; I24-F26 HydrophobicContact CG2-CE2 3.93Å; I24-F26 HydrophobicContact CG2-CZ 4.4Å; F26-C31 VanDerWaalsContact C-SG 3.51Å; F26-I33 HydrophobicContact CD1-CB 3.88Å; F26-I33 HydrophobicContact CD1-CD1 3.79Å; F26-I33 HydrophobicContact CD1-CG1 4.44Å; F26-I33 HydrophobicContact CD1-CG2 3.74Å; F26-I33 HydrophobicContact CE1-CB 4.3Å; F26-I33 HydrophobicContact CE1-CD1 3.33Å; F26-I33 HydrophobicContact CE1-CG1 4.4Å; F26-I33 HydrophobicContact CE1-CG2 4.14Å; F26-I33 HydrophobicContact CE2-CD1 4.12Å; F26-I33 HydrophobicContact CG-CB 4.29Å; F26-I33 HydrophobicContact CG-CD1 4.39Å; F26-I33 HydrophobicContact CZ-CD1 3.52Å; F26-L35 HydrophobicContact CB-CD1 3.85Å; F26-L35 HydrophobicContact CB-CG 4.36Å; F26-V43 WeakPolarHBondContact O-CA 3.41Å; F26-V43 PolarHBondContact O-N 2.92Å; F26-A44 HydrophobicContact CB-CB 4.35Å; F26-A44 PolarHBondContact N-O 2.87Å; F26-A44 PolarHBondContact O-N 3.25Å; F26-M46 HydrophobicContact CE2-CB 3.74Å; F26-M46 HydrophobicContact CZ-CE 4.47Å; F26-L59 HydrophobicContact CE2-CD1 4.41Å; F26-F89 HydrophobicContact CB-CE1 4.12Å; F26-F89 HydrophobicContact CB-CZ 3.9Å; F26-F89 HydrophobicContact CD1-CD2 4.49Å; F26-F89 HydrophobicContact CD1-CE1 4.3Å; F26-F89 AromaticContact CD1-CE2 3.4Å; F26-F89 HydrophobicContact CD1-CE2 3.4Å; F26-F89 AromaticContact CD1-CZ 3.29Å; F26-F89 HydrophobicContact CD1-CZ 3.29Å; F26-F89 HydrophobicContact CD2-CZ 4.32Å; F26-F89 AromaticContact CE1-CE2 3.71Å; F26-F89 HydrophobicContact CE1-CE2 3.71Å; F26-F89 AromaticContact CE1-CZ 3.74Å; F26-F89 HydrophobicContact CE1-CZ 3.74Å; F26-F89 HydrophobicContact CG-CE1 4.29Å; F26-F89 HydrophobicContact CG-CE2 4.18Å; F26-F89 AromaticContact CG-CZ 3.61Å; F26-F89 HydrophobicContact CG-CZ 3.61Å; F26-F89 HydrophobicContact CZ-CZ 4.43Å; F26-F97 HydrophobicContact CE1-CD1 4.45Å; F26-F97 HydrophobicContact CE1-CG 4.4Å |
| 27 | G | 88 | Confident | 86.6 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 166.6 | -147.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.4 | C31 I33 L35 D41 | G27-C31 PolarHBondContact N-SG 3.26Å; G27-I33 PolarHBondContact N-O 3.02Å; G27-L35 PolarHBondContact O-N 3.06Å; G27-D41 CarbonylContact C-O 3.59Å; G27-D41 WeakPolarHBondContact CA-O 3.38Å |
| 28 | G | 84.5 | Confident | 85.2 | Confident | 5 Ų | 5 | 46 Ų | 46 | 5% | 0.052 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -78.7 | -148.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | G30 C31 C40 D41 | G28-G30 PolarHBondContact O-N 2.88Å; G28-C31 PolarHBondContact O-N 3.49Å; G28-C40 PolarHBondContact N-O 3.36Å; G28-C40 VanDerWaalsContact N-O 3.14Å; G28-D41 PolarHBondContact N-O 2.81Å |
| 29 | S | 81.2 | Confident | 83.8 | Confident | 95 Ų | 95 | 53 Ų | 53 | 66% | 0.664 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | 122.7 | 179.9 | 40.4 | 0 | 0 | 0 | 0 | 112.2 | ||
| 30 | G | 82.7 | Confident | 83 | Confident | 79 Ų | 79 | 54.6 Ų | 54.6 | 81% | 0.814 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.1 | -6.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | G28 | G28-G30 PolarHBondContact O-N 2.88Š|
| 31 | C | 88.6 | Confident | 82.7 | Confident | 21 Ų | 21 | 56.1 Ų | 56.1 | 14% | 0.142 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -74.9 | 156.7 | 162.2 | -84.2 | 0 | 0 | 0 | 0 | 112 | K25 F26 G27 G28 I33 D41 | K25-C31 HydrophobicContact CB-CB 4.07Å; K25-C31 VanDerWaalsContact CB-SG 3.53Å; K25-C31 WeakPolarHBondContact O-CB 3.46Å; F26-C31 VanDerWaalsContact C-SG 3.51Å; G27-C31 PolarHBondContact N-SG 3.26Å; G28-C31 PolarHBondContact O-N 3.49Å; C31-I33 VanDerWaalsContact C-N 3.25Å; C31-I33 PolarHBondContact O-N 3.4Å; C31-D41 PolarHBondContact SG-O 2.79Å |
| 32 | D | 90.4 | Very high | 82.5 | Confident | 77 Ų | 77 | 55 Ų | 55 | 41% | 0.412 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -64.7 | -32.6 | 173.5 | -53.5 | -78.7 | 0 | 0 | 0 | 111.8 | I24 K25 F179 | I24-D32 HydrophobicContact CG2-CB 4.25Å; K25-D32 WeakPolarHBondContact CB-OD2 3.35Å; K25-D32 PolarHBondContact N-OD2 2.67Å; K25-D32 PolarHBondContact O-N 2.92Å; D32-F179 HydrophobicContact CB-CD1 3.87Å; D32-F179 HydrophobicContact CB-CE1 3.86Å |
| 33 | I | 90.2 | Very high | 82.2 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 114.3 | 178.2 | -63.7 | 168.9 | 0 | 0 | 0 | 110.1 | L4 I24 K25 F26 G27 C31 L35 F97 F179 | L4-I33 HydrophobicContact CD2-CD1 3.49Å; L4-I33 VanDerWaalsContact CD2-CD1 3.49Å; I24-I33 HydrophobicContact CG2-CD1 3.73Å; I24-I33 HydrophobicContact CG2-CG1 4.34Å; K25-I33 PolarHBondContact O-N 3.2Å; F26-I33 HydrophobicContact CD1-CB 3.88Å; F26-I33 HydrophobicContact CD1-CD1 3.79Å; F26-I33 HydrophobicContact CD1-CG1 4.44Å; F26-I33 HydrophobicContact CD1-CG2 3.74Å; F26-I33 HydrophobicContact CE1-CB 4.3Å; F26-I33 HydrophobicContact CE1-CD1 3.33Å; F26-I33 HydrophobicContact CE1-CG1 4.4Å; F26-I33 HydrophobicContact CE1-CG2 4.14Å; F26-I33 HydrophobicContact CE2-CD1 4.12Å; F26-I33 HydrophobicContact CG-CB 4.29Å; F26-I33 HydrophobicContact CG-CD1 4.39Å; F26-I33 HydrophobicContact CZ-CD1 3.52Å; G27-I33 PolarHBondContact N-O 3.02Å; C31-I33 VanDerWaalsContact C-N 3.25Å; C31-I33 PolarHBondContact O-N 3.4Å; I33-L35 HydrophobicContact CG2-CD2 3.96Å; I33-L35 PolarHBondContact O-N 2.97Å; I33-F97 HydrophobicContact CG2-CD1 4.47Å; I33-F97 HydrophobicContact CG2-CE1 3.55Å; I33-F97 HydrophobicContact CG2-CZ 3.67Å; I33-F179 HydrophobicContact CD1-CE2 3.95Å; I33-F179 HydrophobicContact CD1-CZ 3.62Å; I33-F179 HydrophobicContact CG1-CE1 4.03Å; I33-F179 HydrophobicContact CG1-CE2 4.3Å; I33-F179 HydrophobicContact CG1-CZ 3.48Å; I33-F179 VanDerWaalsContact CG1-CZ 3.48Å |
| 34 | D | 88.3 | Confident | 82.1 | Confident | 55 Ų | 55 | 51.1 Ų | 51.1 | 29% | 0.294 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 112.1 | -179.4 | -177.8 | -3.3 | 0 | 0 | 0 | 111.9 | R36 K95 | D34-R36 VanDerWaalsContact OD1-CB 3.28Å; D34-R36 WeakPolarHBondContact OD1-CB 3.42Å; D34-R36 WeakPolarHBondContact OD1-CG 3.49Å; D34-R36 PolarHBondContact OD1-N 2.92Å; D34-R36 IonicContact OD1-NE 2.67Å; D34-R36 PolarHBondContact OD1-NE 2.91Å; D34-R36 VanDerWaalsContact OD1-NE 3.07Å; D34-R36 IonicContact OD2-CZ 2.86Å; D34-R36 IonicContact OD2-NE 3.48Å; D34-R36 PolarHBondContact OD2-NE 2.85Å; D34-R36 IonicContact OD2-NH2 3.52Å; D34-R36 PolarHBondContact OD2-NH2 2.89Å; D34-K95 PolarHBondContact O-NZ 2.85Å |
| 35 | L | 85.4 | Confident | 81.9 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 31% | 0.31 | C | S | . | . | trans | -105.4 | 24 | 177.2 | -55.5 | -172.7 | 0 | 0 | 0 | 112.5 | F26 G27 I33 A38 V43 F89 V92 F97 | F26-L35 HydrophobicContact CB-CD1 3.85Å; F26-L35 HydrophobicContact CB-CG 4.36Å; G27-L35 PolarHBondContact O-N 3.06Å; I33-L35 HydrophobicContact CG2-CD2 3.96Å; I33-L35 PolarHBondContact O-N 2.97Å; L35-A38 HydrophobicContact CB-CB 4.04Å; L35-A38 WeakPolarHBondContact O-CB 3.47Å; L35-A38 PolarHBondContact O-N 2.76Å; L35-V43 HydrophobicContact CD1-CB 4.42Å; L35-F89 HydrophobicContact CD1-CB 3.94Å; L35-F89 HydrophobicContact CD1-CD1 3.64Å; L35-F89 HydrophobicContact CD1-CD2 3.78Å; L35-F89 HydrophobicContact CD1-CE1 4.09Å; L35-F89 HydrophobicContact CD1-CE2 4.19Å; L35-F89 HydrophobicContact CD1-CG 3.5Å; L35-F89 VanDerWaalsContact CD1-CG 3.5Å; L35-F89 HydrophobicContact CD1-CZ 4.34Å; L35-F89 HydrophobicContact CD2-CD2 4.02Å; L35-F89 HydrophobicContact CD2-CE2 4.42Å; L35-F89 HydrophobicContact CD2-CG 4.48Å; L35-V92 HydrophobicContact CB-CG2 4.17Å; L35-V92 HydrophobicContact CD2-CG2 3.9Å; L35-V92 HydrophobicContact CG-CG2 4.48Å; L35-V92 VanDerWaalsContact O-CG1 3.24Å; L35-V92 WeakPolarHBondContact O-CG1 3.4Å; L35-F97 HydrophobicContact CD2-CE2 3.62Å; L35-F97 HydrophobicContact CD2-CZ 3.58Å | ||
| 36 | R | 79.4 | Confident | 81.8 | Confident | 167 Ų | 167 | 49.1 Ų | 49.1 | 63% | 0.63 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 134.3 | 174.3 | -79.5 | 178.7 | -63 | 156.3 | -0.2 | 111.1 | D34 V92 | D34-R36 VanDerWaalsContact OD1-CB 3.28Å; D34-R36 WeakPolarHBondContact OD1-CB 3.42Å; D34-R36 WeakPolarHBondContact OD1-CG 3.49Å; D34-R36 PolarHBondContact OD1-N 2.92Å; D34-R36 IonicContact OD1-NE 2.67Å; D34-R36 PolarHBondContact OD1-NE 2.91Å; D34-R36 VanDerWaalsContact OD1-NE 3.07Å; D34-R36 IonicContact OD2-CZ 2.86Å; D34-R36 IonicContact OD2-NE 3.48Å; D34-R36 PolarHBondContact OD2-NE 2.85Å; D34-R36 IonicContact OD2-NH2 3.52Å; D34-R36 PolarHBondContact OD2-NH2 2.89Å; R36-V92 WeakPolarHBondContact O-CG1 3.29Å |
| 37 | P | 70 | Confident | 81.7 | Confident | 109 Ų | 109 | 53.1 Ų | 53.1 | 71% | 0.708 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -94 | 33.7 | 17.8 | 39.4 | -38.3 | 0 | 0 | 0 | 115.7 | V39 | P37-V39 PolarHBondContact O-N 3.28Š|
| 38 | A | 63.6 | Low | 81.6 | Confident | 16 Ų | 16 | 53.3 Ų | 53.3 | 13% | 0.132 | 31% | 0.31 | C | S | . | . | trans | -44.1 | 131.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L35 V43 | L35-A38 HydrophobicContact CB-CB 4.04Å; L35-A38 WeakPolarHBondContact O-CB 3.47Å; L35-A38 PolarHBondContact O-N 2.76Å; A38-V43 HydrophobicContact CB-CG2 4.05Å | ||
| 39 | V | 61.9 | Low | 81.4 | Confident | 147 Ų | 147 | 57.9 Ų | 57.9 | 89% | 0.891 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -78.5 | -21 | -174.6 | -175.7 | 0 | 0 | 0 | 0 | 112.4 | P37 | P37-V39 PolarHBondContact O-N 3.28Š|
| 40 | C | 69.2 | Low | 81.2 | Confident | 57 Ų | 57 | 56 Ų | 56 | 39% | 0.385 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -107.6 | 138.5 | -178.4 | -55.5 | 0 | 0 | 0 | 0 | 110.9 | G28 E42 V43 V63 | G28-C40 PolarHBondContact N-O 3.36Å; G28-C40 VanDerWaalsContact N-O 3.14Å; C40-E42 PolarHBondContact O-N 2.82Å; C40-V43 HydrophobicContact CB-CG2 4.29Å; C40-V63 HydrophobicContact CB-CG2 4.48Å |
| 41 | D | 77.4 | Confident | 80.5 | Confident | 112 Ų | 112 | 53.7 Ų | 53.7 | 60% | 0.599 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -59.9 | -33.9 | 178 | -69.9 | -44.6 | 0 | 0 | 0 | 112.7 | G27 G28 C31 | G27-D41 CarbonylContact C-O 3.59Å; G27-D41 WeakPolarHBondContact CA-O 3.38Å; G28-D41 PolarHBondContact N-O 2.81Å; C31-D41 PolarHBondContact SG-O 2.79Å |
| 42 | E | 82.5 | Confident | 79.6 | Confident | 39 Ų | 39 | 57.6 Ų | 57.6 | 18% | 0.182 | 30% | 0.304 | C | S | . | . | trans | -135.2 | 108.2 | 176.7 | -166.6 | -171.7 | 76.9 | 0 | 0 | 109.6 | K25 C40 K45 N62 | K25-E42 HydrophobicContact CB-CG 4.48Å; K25-E42 VanDerWaalsContact CD-OE2 3.3Å; K25-E42 WeakPolarHBondContact CD-OE2 3.37Å; K25-E42 VanDerWaalsContact CE-OE2 3.24Å; K25-E42 WeakPolarHBondContact CE-OE2 3.16Å; K25-E42 IonicContact NZ-OE2 2.9Å; K25-E42 PolarHBondContact NZ-OE2 2.87Å; C40-E42 PolarHBondContact O-N 2.82Å; E42-K45 WeakPolarHBondContact OE1-CE 3.37Å; E42-K45 IonicContact OE1-NZ 2.64Å; E42-K45 PolarHBondContact OE1-NZ 2.89Å; E42-N62 WeakPolarHBondContact CG-ND2 3.42Å; E42-N62 PolarHBondContact O-ND2 2.97Å; E42-N62 PolarHBondContact OE1-ND2 2.73Å | ||
| 43 | V | 83.6 | Confident | 78.1 | Confident | 10 Ų | 10 | 59.1 Ų | 59.1 | 6% | 0.061 | 32% | 0.316 | C | S | . | . | trans | -87.3 | -42.5 | 179.5 | 174.8 | 0 | 0 | 0 | 0 | 111 | F26 L35 A38 C40 E61 N62 V63 F89 | F26-V43 WeakPolarHBondContact O-CA 3.41Å; F26-V43 PolarHBondContact O-N 2.92Å; L35-V43 HydrophobicContact CD1-CB 4.42Å; A38-V43 HydrophobicContact CB-CG2 4.05Å; C40-V43 HydrophobicContact CB-CG2 4.29Å; V43-E61 HydrophobicContact CG1-CG 4.42Å; V43-E61 WeakPolarHBondContact O-CG 3.48Å; V43-N62 PolarHBondContact O-N 3.33Å; V43-V63 HydrophobicContact CG1-CG2 4.37Å; V43-F89 HydrophobicContact CG1-CD1 4.1Å | ||
| 44 | A | 86 | Confident | 76.4 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 162.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | F26 L59 S60 E61 F89 | F26-A44 HydrophobicContact CB-CB 4.35Å; F26-A44 PolarHBondContact N-O 2.87Å; F26-A44 PolarHBondContact O-N 3.25Å; A44-L59 HydrophobicContact CB-CD1 4.02Å; A44-S60 CarbonylContact C-O 3.57Å; A44-S60 VanDerWaalsContact CA-O 3.29Å; A44-S60 WeakPolarHBondContact CA-O 3.41Å; A44-S60 WeakPolarHBondContact CB-O 3.37Å; A44-E61 HydrophobicContact CB-CG 4.44Å; A44-F89 HydrophobicContact CB-CE1 3.77Å; A44-F89 HydrophobicContact CB-CZ 4.48Å |
| 45 | K | 87.7 | Confident | 75 | Confident | 40 Ų | 40 | 62 Ų | 62 | 17% | 0.174 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 133 | 172.7 | -60.4 | 178.3 | -173.4 | 76.1 | 0 | 109.9 | V23 I24 E42 Y47 L59 S60 N62 | V23-K45 HydrophobicContact CG1-CB 3.93Å; V23-K45 HydrophobicContact CG1-CD 4.23Å; V23-K45 HydrophobicContact CG1-CG 4.21Å; I24-K45 WeakPolarHBondContact O-CA 3.45Å; E42-K45 WeakPolarHBondContact OE1-CE 3.37Å; E42-K45 IonicContact OE1-NZ 2.64Å; E42-K45 PolarHBondContact OE1-NZ 2.89Å; K45-Y47 HydrophobicContact CB-CE2 4.13Å; K45-Y47 HydrophobicContact CD-CE1 4.45Å; K45-Y47 WeakPolarHBondContact CD-OH 3.45Å; K45-L59 WeakPolarHBondContact O-CA 3.48Å; K45-S60 PolarHBondContact N-O 2.59Å; K45-S60 PolarHBondContact O-N 3.09Å; K45-N62 PolarHBondContact NZ-OD1 3.11Å |
| 46 | M | 88.4 | Confident | 73.8 | Confident | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.005 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 109.3 | 164.7 | -176.1 | 172.9 | 65.9 | 0 | 0 | 108.9 | L4 I18 I24 F26 F57 N58 L59 M81 | L4-M46 HydrophobicContact CD2-CE 4.33Å; I18-M46 HydrophobicContact CD1-CE 3.57Å; I24-M46 HydrophobicContact CB-CB 4.46Å; I24-M46 HydrophobicContact CB-CE 4.33Å; I24-M46 HydrophobicContact CD1-CE 3.61Å; I24-M46 PolarHBondContact N-O 3.12Å; I24-M46 PolarHBondContact O-N 3.17Å; F26-M46 HydrophobicContact CE2-CB 3.74Å; F26-M46 HydrophobicContact CZ-CE 4.47Å; M46-F57 HydrophobicContact CE-CD1 4.09Å; M46-F57 HydrophobicContact CE-CE1 4.32Å; M46-F57 HydrophobicContact CG-CB 4.16Å; M46-F57 HydrophobicContact CG-CD1 3.96Å; M46-F57 HydrophobicContact SD-CB 4.15Å; M46-F57 HydrophobicContact SD-CD1 3.71Å; M46-F57 HydrophobicContact SD-CE1 4.46Å; M46-F57 HydrophobicContact SD-CG 4.17Å; M46-N58 CarbonylContact C-O 3.48Å; M46-N58 WeakPolarHBondContact CA-O 3.45Å; M46-L59 HydrophobicContact CB-CD1 4.15Å; M46-M81 HydrophobicContact SD-CE 4.37Å; M46-M81 HydrophobicContact SD-SD 3.95Å |
| 47 | Y | 86.8 | Confident | 73.2 | Confident | 83 Ų | 83 | 56.6 Ų | 56.6 | 33% | 0.325 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 124.9 | 172.3 | -57.4 | -87.6 | 0 | 0 | 0 | 109.3 | V23 K45 F57 N58 S60 | V23-Y47 HydrophobicContact CG1-CD1 4.3Å; V23-Y47 HydrophobicContact CG1-CE1 4.31Å; V23-Y47 HydrophobicContact CG2-CD1 3.68Å; V23-Y47 HydrophobicContact CG2-CE1 3.96Å; K45-Y47 HydrophobicContact CB-CE2 4.13Å; K45-Y47 HydrophobicContact CD-CE1 4.45Å; K45-Y47 WeakPolarHBondContact CD-OH 3.45Å; Y47-F57 WeakPolarHBondContact O-CA 3.25Å; Y47-N58 HydrophobicContact CD2-CB 4.31Å; Y47-N58 WeakPolarHBondContact CD2-O 3.28Å; Y47-N58 PolarHBondContact N-O 3.29Å; Y47-N58 PolarHBondContact O-N 3.01Å; Y47-S60 WeakPolarHBondContact CE2-OG 3.23Å |
| 48 | V | 86.5 | Confident | 73.3 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.024 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 101.8 | 174.5 | -171.1 | 0 | 0 | 0 | 0 | 106.9 | I18 P21 G22 I24 T51 F57 | I18-V48 HydrophobicContact CG2-CB 4.43Å; I18-V48 HydrophobicContact CG2-CG1 3.79Å; I18-V48 HydrophobicContact CG2-CG2 3.85Å; P21-V48 CarbonylContact C-O 3.55Å; P21-V48 WeakPolarHBondContact CA-O 3.44Å; P21-V48 WeakPolarHBondContact CB-O 3.46Å; G22-V48 PolarHBondContact N-O 3.46Å; G22-V48 PolarHBondContact O-N 3.39Å; I24-V48 HydrophobicContact CD1-CG2 3.76Å; I24-V48 HydrophobicContact CG1-CG2 4.39Å; V48-T51 HydrophobicContact CG1-CG2 3.59Å; V48-F57 HydrophobicContact CB-CD1 4.48Å; V48-F57 HydrophobicContact CB-CE1 4.3Å; V48-F57 HydrophobicContact CG1-CD1 4.36Å; V48-F57 HydrophobicContact CG1-CE1 3.82Å; V48-F57 HydrophobicContact CG2-CD1 4.02Å; V48-F57 HydrophobicContact CG2-CE1 3.84Å |
| 49 | I | 80.3 | Confident | 73.7 | Confident | 101 Ų | 101 | 52.1 Ų | 52.1 | 52% | 0.518 | 29% | 0.29 | S | S | . | . | trans | -85 | -44.1 | -174.7 | -56.5 | -171.5 | 0 | 0 | 0 | 111.4 | V56 | I49-V56 HydrophobicContact CB-CB 4.24Å; I49-V56 HydrophobicContact CD1-CB 4.22Å; I49-V56 HydrophobicContact CD1-CG1 3.66Å; I49-V56 HydrophobicContact CG1-CB 4.45Å; I49-V56 HydrophobicContact CG1-CG1 4.27Å; I49-V56 PolarHBondContact N-O 3.24Å | ||
| 50 | D | 75.6 | Confident | 74.1 | Confident | 55 Ų | 55 | 45.9 Ų | 45.9 | 29% | 0.294 | 25% | 0.253 | S | S | . | . | trans | -136.9 | 153.1 | 173.2 | -171 | -2.7 | 0 | 0 | 0 | 107.8 | N52 C55 | D50-N52 VanDerWaalsContact CG-ND2 3.26Å; D50-N52 WeakPolarHBondContact OD1-CB 3.32Å; D50-N52 VanDerWaalsContact OD1-CG 3.26Å; D50-N52 PolarHBondContact OD1-N 3.28Å; D50-N52 PolarHBondContact OD1-ND2 2.89Å; D50-N52 WeakPolarHBondContact OD2-CB 3.23Å; D50-N52 PolarHBondContact OD2-ND2 3.35Å; D50-C55 PolarHBondContact O-SG 3.46Å | ||
| 51 | T | 69.8 | Low | 74.2 | Confident | 32 Ų | 32 | 44.2 Ų | 44.2 | 20% | 0.196 | 24% | 0.239 | C | C | . | . | trans | -111.2 | 3.7 | 175.2 | 47.7 | 0 | 0 | 0 | 0 | 113.8 | W2 I18 V48 C55 | W2-T51 VanDerWaalsContact CD1-O 3.29Å; W2-T51 PolarHBondContact NE1-O 3.18Å; I18-T51 HydrophobicContact CG2-CG2 4.3Å; V48-T51 HydrophobicContact CG1-CG2 3.59Å; T51-C55 VanDerWaalsContact CA-SG 3.52Å | ||
| 52 | N | 69.6 | Low | 73.7 | Confident | 102 Ų | 102 | 42.5 Ų | 42.5 | 55% | 0.545 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -65.2 | -171.3 | 171.5 | -68.8 | -47.4 | 0 | 0 | 0 | 112.7 | W2 D50 T54 C55 | W2-N52 PolarHBondContact NE1-O 3.44Å; D50-N52 VanDerWaalsContact CG-ND2 3.26Å; D50-N52 WeakPolarHBondContact OD1-CB 3.32Å; D50-N52 VanDerWaalsContact OD1-CG 3.26Å; D50-N52 PolarHBondContact OD1-N 3.28Å; D50-N52 PolarHBondContact OD1-ND2 2.89Å; D50-N52 WeakPolarHBondContact OD2-CB 3.23Å; D50-N52 PolarHBondContact OD2-ND2 3.35Å; N52-T54 PolarHBondContact O-N 3.22Å; N52-C55 PolarHBondContact O-SG 3.31Å; N52-C55 VanDerWaalsContact O-SG 3.4Å |
| 53 | T | 57.2 | Low | 72.8 | Confident | 109 Ų | 109 | 42.6 Ų | 42.6 | 67% | 0.669 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -22.6 | -175.4 | 48 | 0 | 0 | 0 | 0 | 114.4 | ||
| 54 | T | 54.8 | Low | 71.8 | Confident | 110 Ų | 110 | 49.5 Ų | 49.5 | 68% | 0.675 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.4 | 59.1 | 177.9 | 57.5 | 0 | 0 | 0 | 0 | 111.5 | N52 V56 | N52-T54 PolarHBondContact O-N 3.22Å; T54-V56 PolarHBondContact O-N 3.37Å |
| 55 | C | 59 | Low | 70.6 | Confident | 8 Ų | 8 | 50.7 Ų | 50.7 | 5% | 0.054 | 28% | 0.277 | C | S | . | . | trans | -53 | 129.2 | 173.3 | -74.3 | 0 | 0 | 0 | 0 | 112.2 | W2 D50 T51 N52 F57 | W2-C55 HydrophobicContact CH2-CB 4.17Å; W2-C55 HydrophobicContact CZ2-CB 3.78Å; W2-C55 VanDerWaalsContact CZ2-SG 3.59Å; W2-C55 PolarHBondContact NE1-SG 3.41Å; D50-C55 PolarHBondContact O-SG 3.46Å; T51-C55 VanDerWaalsContact CA-SG 3.52Å; N52-C55 PolarHBondContact O-SG 3.31Å; N52-C55 VanDerWaalsContact O-SG 3.4Å; C55-F57 HydrophobicContact CB-CD2 3.33Å; C55-F57 HydrophobicContact CB-CE2 3.09Å; C55-F57 HydrophobicContact CB-CG 4.28Å; C55-F57 HydrophobicContact CB-CZ 3.87Å; C55-F57 WeakPolarHBondContact SG-CE2 3.41Å | ||
| 56 | V | 60.4 | Low | 70 | Confident | 54 Ų | 54 | 54.2 Ų | 54.2 | 33% | 0.327 | 29% | 0.294 | S | S | . | . | trans | -92 | 97.4 | 156.5 | 176.5 | 0 | 0 | 0 | 0 | 106.8 | I49 T54 N58 L80 | I49-V56 HydrophobicContact CB-CB 4.24Å; I49-V56 HydrophobicContact CD1-CB 4.22Å; I49-V56 HydrophobicContact CD1-CG1 3.66Å; I49-V56 HydrophobicContact CG1-CB 4.45Å; I49-V56 HydrophobicContact CG1-CG1 4.27Å; I49-V56 PolarHBondContact N-O 3.24Å; T54-V56 PolarHBondContact O-N 3.37Å; V56-N58 VanDerWaalsContact CG1-OD1 3.24Å; V56-N58 WeakPolarHBondContact CG1-OD1 3.44Å; V56-L80 HydrophobicContact CB-CD1 4.15Å; V56-L80 HydrophobicContact CG1-CD1 3.9Å; V56-L80 HydrophobicContact CG2-CD1 4.1Å | ||
| 57 | F | 67.2 | Low | 69.8 | Low | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 114.3 | 163.9 | -68.9 | -77 | 0 | 0 | 0 | 107.7 | W2 I18 M46 Y47 V48 C55 L80 M81 L99 | W2-F57 HydrophobicContact CB-CZ 4.19Å; W2-F57 AromaticContact CD2-CE2 3.81Å; W2-F57 HydrophobicContact CD2-CE2 3.81Å; W2-F57 HydrophobicContact CD2-CZ 4.09Å; W2-F57 AromaticContact CE3-CE2 3.6Å; W2-F57 HydrophobicContact CE3-CE2 3.6Å; W2-F57 HydrophobicContact CE3-CZ 4.15Å; W2-F57 HydrophobicContact CG-CE2 4.31Å; W2-F57 HydrophobicContact CG-CZ 4.11Å; W2-F57 HydrophobicContact CH2-CE2 4.34Å; W2-F57 AromaticContact CZ3-CE2 3.87Å; W2-F57 HydrophobicContact CZ3-CE2 3.87Å; I18-F57 HydrophobicContact CD1-CD1 4.44Å; I18-F57 HydrophobicContact CD1-CE1 3.51Å; I18-F57 HydrophobicContact CD1-CZ 3.88Å; I18-F57 HydrophobicContact CG2-CE1 4.13Å; M46-F57 HydrophobicContact CE-CD1 4.09Å; M46-F57 HydrophobicContact CE-CE1 4.32Å; M46-F57 HydrophobicContact CG-CB 4.16Å; M46-F57 HydrophobicContact CG-CD1 3.96Å; M46-F57 HydrophobicContact SD-CB 4.15Å; M46-F57 HydrophobicContact SD-CD1 3.71Å; M46-F57 HydrophobicContact SD-CE1 4.46Å; M46-F57 HydrophobicContact SD-CG 4.17Å; Y47-F57 WeakPolarHBondContact O-CA 3.25Å; V48-F57 HydrophobicContact CB-CD1 4.48Å; V48-F57 HydrophobicContact CB-CE1 4.3Å; V48-F57 HydrophobicContact CG1-CD1 4.36Å; V48-F57 HydrophobicContact CG1-CE1 3.82Å; V48-F57 HydrophobicContact CG2-CD1 4.02Å; V48-F57 HydrophobicContact CG2-CE1 3.84Å; C55-F57 HydrophobicContact CB-CD2 3.33Å; C55-F57 HydrophobicContact CB-CE2 3.09Å; C55-F57 HydrophobicContact CB-CG 4.28Å; C55-F57 HydrophobicContact CB-CZ 3.87Å; C55-F57 WeakPolarHBondContact SG-CE2 3.41Å; F57-L80 CarbonylContact O-C 3.56Å; F57-L80 WeakPolarHBondContact O-CA 3.47Å; F57-M81 HydrophobicContact CB-CB 3.99Å; F57-M81 PolarHBondContact O-N 3.35Å; F57-L99 HydrophobicContact CB-CD2 4.31Å; F57-L99 HydrophobicContact CD2-CD1 4.09Å; F57-L99 HydrophobicContact CD2-CD2 3.26Å; F57-L99 HydrophobicContact CD2-CG 4.25Å; F57-L99 HydrophobicContact CE1-CD1 4.33Å; F57-L99 HydrophobicContact CE2-CD1 3.64Å; F57-L99 HydrophobicContact CE2-CD2 3.6Å; F57-L99 HydrophobicContact CE2-CG 4.13Å; F57-L99 HydrophobicContact CG-CD2 3.88Å; F57-L99 HydrophobicContact CZ-CD1 3.79Å; F57-L99 HydrophobicContact CZ-CD2 4.49Å |
| 58 | N | 71.2 | Confident | 69.7 | Low | 30 Ų | 30 | 51 Ų | 51 | 16% | 0.16 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 114.8 | 176.2 | -79.8 | -4.5 | 0 | 0 | 0 | 109 | M46 Y47 V56 N78 | M46-N58 CarbonylContact C-O 3.48Å; M46-N58 WeakPolarHBondContact CA-O 3.45Å; Y47-N58 HydrophobicContact CD2-CB 4.31Å; Y47-N58 WeakPolarHBondContact CD2-O 3.28Å; Y47-N58 PolarHBondContact N-O 3.29Å; Y47-N58 PolarHBondContact O-N 3.01Å; V56-N58 VanDerWaalsContact CG1-OD1 3.24Å; V56-N58 WeakPolarHBondContact CG1-OD1 3.44Å; N58-N78 HydrophobicContact CB-CB 3.86Å |
| 59 | L | 73.2 | Confident | 69.7 | Low | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 124.7 | 173.6 | -173.1 | 65.1 | 0 | 0 | 0 | 109.5 | F26 A44 K45 M46 V69 L74 Q79 M81 V87 | F26-L59 HydrophobicContact CE2-CD1 4.41Å; A44-L59 HydrophobicContact CB-CD1 4.02Å; K45-L59 WeakPolarHBondContact O-CA 3.48Å; M46-L59 HydrophobicContact CB-CD1 4.15Å; L59-V69 HydrophobicContact CD2-CG2 3.79Å; L59-L74 HydrophobicContact CD2-CD1 3.75Å; L59-L74 HydrophobicContact CD2-CD2 4.28Å; L59-L74 HydrophobicContact CG-CD1 3.86Å; L59-L74 HydrophobicContact CG-CD2 4.49Å; L59-Q79 PolarHBondContact N-O 2.9Å; L59-Q79 PolarHBondContact O-N 2.89Å; L59-Q79 VanDerWaalsContact O-N 3.08Å; L59-M81 HydrophobicContact CB-CG 4.48Å; L59-M81 HydrophobicContact CB-SD 3.98Å; L59-M81 HydrophobicContact CD2-SD 4.22Å; L59-V87 HydrophobicContact CD2-CB 4.37Å; L59-V87 HydrophobicContact CD2-CG1 3.48Å; L59-V87 VanDerWaalsContact CD2-CG1 3.48Å; L59-V87 HydrophobicContact CD2-CG2 3.91Å |
| 60 | S | 69.1 | Low | 70.1 | Confident | 16 Ų | 16 | 48.6 Ų | 48.6 | 11% | 0.112 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 128.8 | 172.7 | 67.7 | 0 | 0 | 0 | 0 | 110 | A44 K45 Y47 | A44-S60 CarbonylContact C-O 3.57Å; A44-S60 VanDerWaalsContact CA-O 3.29Å; A44-S60 WeakPolarHBondContact CA-O 3.41Å; A44-S60 WeakPolarHBondContact CB-O 3.37Å; K45-S60 PolarHBondContact N-O 2.59Å; K45-S60 PolarHBondContact O-N 3.09Å; Y47-S60 WeakPolarHBondContact CE2-OG 3.23Å |
| 61 | E | 72.9 | Confident | 70.6 | Confident | 22 Ų | 22 | 48.7 Ų | 48.7 | 10% | 0.103 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 139 | 173.3 | -149.8 | 174.9 | -172.3 | 0 | 0 | 110.5 | V43 A44 V63 Q66 S67 L74 | V43-E61 HydrophobicContact CG1-CG 4.42Å; V43-E61 WeakPolarHBondContact O-CG 3.48Å; A44-E61 HydrophobicContact CB-CG 4.44Å; E61-V63 WeakPolarHBondContact CB-O 3.49Å; E61-V63 HydrophobicContact CG-CB 4.3Å; E61-V63 WeakPolarHBondContact CG-O 3.41Å; E61-Q66 PolarHBondContact OE2-N 2.81Å; E61-S67 VanDerWaalsContact CD-CB 3.44Å; E61-S67 VanDerWaalsContact CD-OG 3.23Å; E61-S67 VanDerWaalsContact OE1-CB 3.25Å; E61-S67 WeakPolarHBondContact OE1-CB 3.34Å; E61-S67 PolarHBondContact OE1-N 3.21Å; E61-S67 VanDerWaalsContact OE1-N 3.09Å; E61-S67 PolarHBondContact OE1-OG 3.29Å; E61-S67 WeakPolarHBondContact OE2-CB 3.16Å; E61-S67 PolarHBondContact OE2-N 3.38Å; E61-L74 HydrophobicContact CB-CD1 4.02Å |
| 62 | N | 65.2 | Low | 71.3 | Confident | 77 Ų | 77 | 51.8 Ų | 51.8 | 41% | 0.412 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -86.1 | -20.3 | 168.9 | -64.3 | -23.5 | 0 | 0 | 0 | 111.5 | E42 V43 K45 | E42-N62 WeakPolarHBondContact CG-ND2 3.42Å; E42-N62 PolarHBondContact O-ND2 2.97Å; E42-N62 PolarHBondContact OE1-ND2 2.73Å; V43-N62 PolarHBondContact O-N 3.33Å; K45-N62 PolarHBondContact NZ-OD1 3.11Å |
| 63 | V | 65.1 | Low | 72 | Confident | 41 Ų | 41 | 52.1 Ų | 52.1 | 25% | 0.248 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -100.8 | 145.7 | 179.7 | -175.8 | 0 | 0 | 0 | 0 | 108.1 | C40 V43 E61 G65 Q66 | C40-V63 HydrophobicContact CB-CG2 4.48Å; V43-V63 HydrophobicContact CG1-CG2 4.37Å; E61-V63 WeakPolarHBondContact CB-O 3.49Å; E61-V63 HydrophobicContact CG-CB 4.3Å; E61-V63 WeakPolarHBondContact CG-O 3.41Å; V63-G65 PolarHBondContact O-N 3.36Å; V63-Q66 HydrophobicContact CG1-CG 4.49Å |
| 64 | Q | 62.2 | Low | 73 | Confident | 155 Ų | 155 | 47.2 Ų | 47.2 | 72% | 0.724 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -71.3 | 92.4 | -164.2 | -167.5 | 171.1 | 38.3 | 0 | 0 | 114 | Q66 | Q64-Q66 VanDerWaalsContact O-CG 3.28Å; Q64-Q66 WeakPolarHBondContact O-CG 3.34Å; Q64-Q66 PolarHBondContact O-N 2.95Å |
| 65 | G | 61.3 | Low | 73.6 | Confident | 25 Ų | 25 | 45.1 Ų | 45.1 | 26% | 0.258 | 27% | 0.266 | S | S | . | . | S | Bend | trans | 58.4 | 37.6 | 160.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | V63 L74 | V63-G65 PolarHBondContact O-N 3.36Å; G65-L74 WeakPolarHBondContact CA-O 3.36Å |
| 66 | Q | 73.5 | Confident | 73.6 | Confident | 113 Ų | 113 | 52.1 Ų | 52.1 | 53% | 0.528 | 30% | 0.298 | S | S | . | . | trans | -102 | -32.7 | -177.2 | -49.8 | -162.6 | -15.8 | 0 | 0 | 112.4 | E61 V63 Q64 L73 P90 | E61-Q66 PolarHBondContact OE2-N 2.81Å; V63-Q66 HydrophobicContact CG1-CG 4.49Å; Q64-Q66 VanDerWaalsContact O-CG 3.28Å; Q64-Q66 WeakPolarHBondContact O-CG 3.34Å; Q64-Q66 PolarHBondContact O-N 2.95Å; Q66-L73 WeakPolarHBondContact O-CD2 3.42Å; Q66-P90 HydrophobicContact CB-CG 3.51Å; Q66-P90 WeakPolarHBondContact O-CD 3.32Å; Q66-P90 WeakPolarHBondContact O-CG 3.31Å | ||
| 67 | S | 84.1 | Confident | 73.9 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | trans | -75.4 | 152.6 | 177.4 | -61.2 | 0 | 0 | 0 | 0 | 110.8 | E61 L73 L74 Q88 F89 | E61-S67 VanDerWaalsContact CD-CB 3.44Å; E61-S67 VanDerWaalsContact CD-OG 3.23Å; E61-S67 VanDerWaalsContact OE1-CB 3.25Å; E61-S67 WeakPolarHBondContact OE1-CB 3.34Å; E61-S67 PolarHBondContact OE1-N 3.21Å; E61-S67 VanDerWaalsContact OE1-N 3.09Å; E61-S67 PolarHBondContact OE1-OG 3.29Å; E61-S67 WeakPolarHBondContact OE2-CB 3.16Å; E61-S67 PolarHBondContact OE2-N 3.38Å; S67-L73 WeakPolarHBondContact O-CA 3.14Å; S67-L74 PolarHBondContact O-N 3.16Å; S67-Q88 WeakPolarHBondContact CA-O 3.13Å; S67-F89 WeakPolarHBondContact OG-CD1 3.35Å | ||
| 68 | S | 85.6 | Confident | 74.1 | Confident | 18 Ų | 18 | 61 Ų | 61 | 13% | 0.126 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 148.1 | -175.6 | 60.8 | 0 | 0 | 0 | 0 | 113.2 | V72 V87 Q88 | S68-V72 CarbonylContact C-O 3.05Å; S68-V72 WeakPolarHBondContact CA-O 3.43Å; S68-V72 VanDerWaalsContact CB-O 3.23Å; S68-V72 WeakPolarHBondContact CB-O 3.36Å; S68-V87 CarbonylContact O-C 3.56Å; S68-V87 WeakPolarHBondContact O-CA 3.43Å; S68-Q88 PolarHBondContact N-O 3Å; S68-Q88 PolarHBondContact O-N 2.96Å |
| 69 | V | 87.5 | Confident | 74.4 | Confident | 7 Ų | 7 | 63.1 Ų | 63.1 | 4% | 0.042 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 119 | 170.2 | 179 | 0 | 0 | 0 | 0 | 107.9 | L59 G71 V72 L74 Q79 M81 D85 M86 V87 | L59-V69 HydrophobicContact CD2-CG2 3.79Å; V69-G71 PolarHBondContact O-N 3.05Å; V69-V72 PolarHBondContact N-O 3.45Å; V69-V72 PolarHBondContact O-N 3.17Å; V69-L74 HydrophobicContact CG2-CD2 3.74Å; V69-L74 HydrophobicContact CG2-CG 4.47Å; V69-Q79 HydrophobicContact CB-CG 4.11Å; V69-Q79 HydrophobicContact CG1-CG 4.32Å; V69-Q79 HydrophobicContact CG2-CG 4.02Å; V69-M81 HydrophobicContact CG1-CG 4.39Å; V69-D85 HydrophobicContact CG1-CB 4.21Å; V69-M86 CarbonylContact C-O 3.54Å; V69-M86 WeakPolarHBondContact CA-O 3.49Å; V69-V87 HydrophobicContact CG2-CG2 4.42Å |
| 70 | N | 88.2 | Confident | 74.8 | Confident | 46 Ų | 46 | 65.8 Ų | 65.8 | 25% | 0.246 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 29.6 | -173.8 | -58.1 | -44.7 | 0 | 0 | 0 | 114.3 | V72 D85 M86 | N70-V72 VanDerWaalsContact C-N 3.31Å; N70-V72 PolarHBondContact O-N 3.47Å; N70-D85 VanDerWaalsContact ND2-CG 3.29Å; N70-D85 PolarHBondContact ND2-OD1 3.02Å; N70-D85 WeakPolarHBondContact OD1-CA 3.21Å; N70-M86 PolarHBondContact N-O 2.81Å; N70-M86 PolarHBondContact OD1-N 2.75Å |
| 71 | G | 85.5 | Confident | 75.5 | Confident | 57 Ų | 57 | 65 Ų | 65 | 59% | 0.588 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.8 | -1.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | V69 | V69-G71 PolarHBondContact O-N 3.05Š|
| 72 | V | 85 | Confident | 76 | Confident | 97 Ų | 97 | 70.9 Ų | 70.9 | 59% | 0.588 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 127.1 | 168 | -175.3 | 0 | 0 | 0 | 0 | 107.9 | S68 V69 N70 | S68-V72 CarbonylContact C-O 3.05Å; S68-V72 WeakPolarHBondContact CA-O 3.43Å; S68-V72 VanDerWaalsContact CB-O 3.23Å; S68-V72 WeakPolarHBondContact CB-O 3.36Å; V69-V72 PolarHBondContact N-O 3.45Å; V69-V72 PolarHBondContact O-N 3.17Å; N70-V72 VanDerWaalsContact C-N 3.31Å; N70-V72 PolarHBondContact O-N 3.47Å |
| 73 | L | 83.7 | Confident | 77.2 | Confident | 109 Ų | 109 | 70 Ų | 70 | 57% | 0.571 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 143.5 | 175.1 | -65.4 | 173.9 | 0 | 0 | 0 | 110.5 | Q66 S67 | Q66-L73 WeakPolarHBondContact O-CD2 3.42Å; S67-L73 WeakPolarHBondContact O-CA 3.14Å |
| 74 | L | 78.4 | Confident | 78.3 | Confident | 7 Ų | 7 | 69.3 Ų | 69.3 | 4% | 0.037 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 134 | 170.3 | -68.4 | 175.7 | 0 | 0 | 0 | 109.8 | L59 E61 G65 S67 V69 Q79 | L59-L74 HydrophobicContact CD2-CD1 3.75Å; L59-L74 HydrophobicContact CD2-CD2 4.28Å; L59-L74 HydrophobicContact CG-CD1 3.86Å; L59-L74 HydrophobicContact CG-CD2 4.49Å; E61-L74 HydrophobicContact CB-CD1 4.02Å; G65-L74 WeakPolarHBondContact CA-O 3.36Å; S67-L74 PolarHBondContact O-N 3.16Å; V69-L74 HydrophobicContact CG2-CD2 3.74Å; V69-L74 HydrophobicContact CG2-CG 4.47Å; L74-Q79 HydrophobicContact CD2-CB 3.39Å; L74-Q79 HydrophobicContact CD2-CG 3.95Å |
| 75 | S | 67.2 | Low | 79.7 | Confident | 65 Ų | 65 | 62.8 Ų | 62.8 | 46% | 0.455 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -76.5 | 173.7 | 156.5 | 55.8 | 0 | 0 | 0 | 0 | 109.6 | E77 | S75-E77 PolarHBondContact O-N 3.48Å; S75-E77 VanDerWaalsContact O-N 3.17Å; S75-E77 PolarHBondContact OG-N 2.99Å |
| 76 | E | 59.9 | Low | 81.1 | Confident | 156 Ų | 156 | 63.7 Ų | 63.7 | 73% | 0.729 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -68.4 | -4.9 | 170.8 | -61.3 | 178.1 | -179.1 | 0 | 0 | 112.3 | ||
| 77 | E | 65.7 | Low | 81.9 | Confident | 152 Ų | 152 | 58.3 Ų | 58.3 | 71% | 0.71 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -93.3 | 154.5 | 175.4 | -59.7 | -171.7 | 149.9 | 0 | 0 | 112.4 | S75 Q79 | S75-E77 PolarHBondContact O-N 3.48Å; S75-E77 VanDerWaalsContact O-N 3.17Å; S75-E77 PolarHBondContact OG-N 2.99Å; E77-Q79 PolarHBondContact O-N 3.41Å; E77-Q79 VanDerWaalsContact O-N 3.12Å |
| 78 | N | 70.9 | Confident | 82.2 | Confident | 89 Ų | 89 | 60.5 Ų | 60.5 | 48% | 0.476 | 33% | 0.331 | S | S | . | . | trans | -62.9 | 110.2 | -176.4 | -75.5 | -65.6 | 0 | 0 | 0 | 113.2 | N58 L80 | N58-N78 HydrophobicContact CB-CB 3.86Å; N78-L80 PolarHBondContact O-N 2.88Å | ||
| 79 | Q | 78.1 | Confident | 82.3 | Confident | 74 Ų | 74 | 59.7 Ų | 59.7 | 35% | 0.346 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 114.8 | 172.3 | 179.2 | 56.6 | 69.2 | 0 | 0 | 111 | L59 V69 L74 E77 M81 | L59-Q79 PolarHBondContact N-O 2.9Å; L59-Q79 PolarHBondContact O-N 2.89Å; L59-Q79 VanDerWaalsContact O-N 3.08Å; V69-Q79 HydrophobicContact CB-CG 4.11Å; V69-Q79 HydrophobicContact CG1-CG 4.32Å; V69-Q79 HydrophobicContact CG2-CG 4.02Å; L74-Q79 HydrophobicContact CD2-CB 3.39Å; L74-Q79 HydrophobicContact CD2-CG 3.95Å; E77-Q79 PolarHBondContact O-N 3.41Å; E77-Q79 VanDerWaalsContact O-N 3.12Å; Q79-M81 PolarHBondContact O-N 3.14Å |
| 80 | L | 82.5 | Confident | 82.1 | Confident | 56 Ų | 56 | 62.4 Ų | 62.4 | 29% | 0.293 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 120.5 | 168.6 | 171.8 | 68.9 | 0 | 0 | 0 | 110.6 | V56 F57 N78 | V56-L80 HydrophobicContact CB-CD1 4.15Å; V56-L80 HydrophobicContact CG1-CD1 3.9Å; V56-L80 HydrophobicContact CG2-CD1 4.1Å; F57-L80 CarbonylContact O-C 3.56Å; F57-L80 WeakPolarHBondContact O-CA 3.47Å; N78-L80 PolarHBondContact O-N 2.88Å |
| 81 | M | 82.9 | Confident | 81.8 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 153.1 | 169.8 | -53 | 170.7 | 52.3 | 0 | 0 | 112 | M46 F57 L59 V69 Q79 D85 V87 L99 | M46-M81 HydrophobicContact SD-CE 4.37Å; M46-M81 HydrophobicContact SD-SD 3.95Å; F57-M81 HydrophobicContact CB-CB 3.99Å; F57-M81 PolarHBondContact O-N 3.35Å; L59-M81 HydrophobicContact CB-CG 4.48Å; L59-M81 HydrophobicContact CB-SD 3.98Å; L59-M81 HydrophobicContact CD2-SD 4.22Å; V69-M81 HydrophobicContact CG1-CG 4.39Å; Q79-M81 PolarHBondContact O-N 3.14Å; M81-D85 WeakPolarHBondContact CA-OD2 3.38Å; M81-D85 HydrophobicContact CB-CB 4.37Å; M81-V87 HydrophobicContact CE-CG2 3.28Å; M81-V87 HydrophobicContact SD-CG2 3.74Å; M81-L99 HydrophobicContact CB-CD2 3.87Å; M81-L99 HydrophobicContact CE-CB 3.78Å; M81-L99 HydrophobicContact CE-CD2 3.97Å; M81-L99 HydrophobicContact CE-CG 4.47Å |
| 82 | R | 84.5 | Confident | 81.8 | Confident | 144 Ų | 144 | 59.9 Ų | 59.9 | 54% | 0.543 | 32% | 0.32 | S | S | . | . | trans | -131.6 | 167.1 | -179.1 | -55.8 | -178.8 | -177.4 | -162.2 | -1.8 | 110.4 | G84 D85 | R82-G84 PolarHBondContact O-N 2.97Å; R82-D85 PolarHBondContact N-OD2 3.24Å; R82-D85 WeakPolarHBondContact O-CB 3.46Å; R82-D85 PolarHBondContact O-N 2.78Å | ||
| 83 | S | 88.6 | Confident | 81.8 | Confident | 60 Ų | 60 | 59.3 Ų | 59.3 | 42% | 0.42 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 123.8 | 173 | -176.3 | 0 | 0 | 0 | 0 | 110.9 | Y101 | S83-Y101 PolarHBondContact OG-N 2.89Š|
| 84 | G | 89.7 | Confident | 82 | Confident | 26 Ų | 26 | 60.3 Ų | 60.3 | 27% | 0.268 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 102.9 | -10.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | R82 L99 | R82-G84 PolarHBondContact O-N 2.97Å; G84-L99 PolarHBondContact N-O 3.46Å |
| 85 | D | 90.9 | Very high | 82.6 | Confident | 18 Ų | 18 | 61.9 Ų | 61.9 | 10% | 0.096 | 33% | 0.331 | C | S | . | . | trans | -78.1 | 139.6 | 179.8 | -68.7 | -22.9 | 0 | 0 | 0 | 112.1 | V69 N70 M81 R82 L99 | V69-D85 HydrophobicContact CG1-CB 4.21Å; N70-D85 VanDerWaalsContact ND2-CG 3.29Å; N70-D85 PolarHBondContact ND2-OD1 3.02Å; N70-D85 WeakPolarHBondContact OD1-CA 3.21Å; M81-D85 WeakPolarHBondContact CA-OD2 3.38Å; M81-D85 HydrophobicContact CB-CB 4.37Å; R82-D85 PolarHBondContact N-OD2 3.24Å; R82-D85 WeakPolarHBondContact O-CB 3.46Å; R82-D85 PolarHBondContact O-N 2.78Å; D85-L99 PolarHBondContact O-N 3.06Å | ||
| 86 | M | 91.8 | Very high | 83.8 | Confident | 44 Ų | 44 | 62.3 Ų | 62.3 | 22% | 0.217 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 122 | -175.4 | 177 | -174.2 | 69.4 | 0 | 0 | 111.2 | V69 N70 Q88 K96 F97 I98 | V69-M86 CarbonylContact C-O 3.54Å; V69-M86 WeakPolarHBondContact CA-O 3.49Å; N70-M86 PolarHBondContact N-O 2.81Å; N70-M86 PolarHBondContact OD1-N 2.75Å; M86-Q88 HydrophobicContact CE-CG 4.26Å; M86-Q88 HydrophobicContact CG-CG 4.34Å; M86-Q88 HydrophobicContact SD-CG 4.43Å; M86-K96 HydrophobicContact CG-CB 4.31Å; M86-K96 HydrophobicContact SD-CB 4.29Å; M86-K96 HydrophobicContact SD-CD 3.8Å; M86-K96 HydrophobicContact SD-CG 4.47Å; M86-F97 CarbonylContact C-O 3.45Å; M86-F97 WeakPolarHBondContact CA-O 3.3Å; M86-I98 HydrophobicContact CB-CG1 4.19Å; M86-I98 HydrophobicContact CG-CG1 4.05Å |
| 87 | V | 90.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 138.1 | 171.3 | -165.9 | 0 | 0 | 0 | 0 | 110.4 | L59 S68 V69 M81 F89 F97 | L59-V87 HydrophobicContact CD2-CB 4.37Å; L59-V87 HydrophobicContact CD2-CG1 3.48Å; L59-V87 VanDerWaalsContact CD2-CG1 3.48Å; L59-V87 HydrophobicContact CD2-CG2 3.91Å; S68-V87 CarbonylContact O-C 3.56Å; S68-V87 WeakPolarHBondContact O-CA 3.43Å; V69-V87 HydrophobicContact CG2-CG2 4.42Å; M81-V87 HydrophobicContact CE-CG2 3.28Å; M81-V87 HydrophobicContact SD-CG2 3.74Å; V87-F89 HydrophobicContact CB-CE2 4.32Å; V87-F89 HydrophobicContact CG1-CD2 4.25Å; V87-F89 HydrophobicContact CG1-CE1 4.22Å; V87-F89 HydrophobicContact CG1-CE2 3.59Å; V87-F89 HydrophobicContact CG1-CZ 3.56Å; V87-F97 HydrophobicContact CB-CB 4.3Å; V87-F97 PolarHBondContact N-O 3.29Å; V87-F97 PolarHBondContact O-N 2.99Å |
| 88 | Q | 89.7 | Confident | 86.7 | Confident | 45 Ų | 45 | 49.6 Ų | 49.6 | 21% | 0.21 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 133.7 | 169.3 | -64.4 | -168.2 | -114.7 | 0 | 0 | 110.9 | S67 S68 M86 K96 | S67-Q88 WeakPolarHBondContact CA-O 3.13Å; S68-Q88 PolarHBondContact N-O 3Å; S68-Q88 PolarHBondContact O-N 2.96Å; M86-Q88 HydrophobicContact CE-CG 4.26Å; M86-Q88 HydrophobicContact CG-CG 4.34Å; M86-Q88 HydrophobicContact SD-CG 4.43Å; Q88-K96 HydrophobicContact CG-CB 4.31Å; Q88-K96 HydrophobicContact CG-CG 4.03Å |
| 89 | F | 88.1 | Confident | 87.8 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 0% | 0.004 | 24% | 0.243 | C | C | . | . | trans | -110 | 123.6 | 178.4 | -59.4 | -87.7 | 0 | 0 | 0 | 109.2 | F26 L35 V43 A44 S67 V87 S91 V92 F97 | F26-F89 HydrophobicContact CB-CE1 4.12Å; F26-F89 HydrophobicContact CB-CZ 3.9Å; F26-F89 HydrophobicContact CD1-CD2 4.49Å; F26-F89 HydrophobicContact CD1-CE1 4.3Å; F26-F89 AromaticContact CD1-CE2 3.4Å; F26-F89 HydrophobicContact CD1-CE2 3.4Å; F26-F89 AromaticContact CD1-CZ 3.29Å; F26-F89 HydrophobicContact CD1-CZ 3.29Å; F26-F89 HydrophobicContact CD2-CZ 4.32Å; F26-F89 AromaticContact CE1-CE2 3.71Å; F26-F89 HydrophobicContact CE1-CE2 3.71Å; F26-F89 AromaticContact CE1-CZ 3.74Å; F26-F89 HydrophobicContact CE1-CZ 3.74Å; F26-F89 HydrophobicContact CG-CE1 4.29Å; F26-F89 HydrophobicContact CG-CE2 4.18Å; F26-F89 AromaticContact CG-CZ 3.61Å; F26-F89 HydrophobicContact CG-CZ 3.61Å; F26-F89 HydrophobicContact CZ-CZ 4.43Å; L35-F89 HydrophobicContact CD1-CB 3.94Å; L35-F89 HydrophobicContact CD1-CD1 3.64Å; L35-F89 HydrophobicContact CD1-CD2 3.78Å; L35-F89 HydrophobicContact CD1-CE1 4.09Å; L35-F89 HydrophobicContact CD1-CE2 4.19Å; L35-F89 HydrophobicContact CD1-CG 3.5Å; L35-F89 VanDerWaalsContact CD1-CG 3.5Å; L35-F89 HydrophobicContact CD1-CZ 4.34Å; L35-F89 HydrophobicContact CD2-CD2 4.02Å; L35-F89 HydrophobicContact CD2-CE2 4.42Å; L35-F89 HydrophobicContact CD2-CG 4.48Å; V43-F89 HydrophobicContact CG1-CD1 4.1Å; A44-F89 HydrophobicContact CB-CE1 3.77Å; A44-F89 HydrophobicContact CB-CZ 4.48Å; S67-F89 WeakPolarHBondContact OG-CD1 3.35Å; V87-F89 HydrophobicContact CB-CE2 4.32Å; V87-F89 HydrophobicContact CG1-CD2 4.25Å; V87-F89 HydrophobicContact CG1-CE1 4.22Å; V87-F89 HydrophobicContact CG1-CE2 3.59Å; V87-F89 HydrophobicContact CG1-CZ 3.56Å; F89-S91 PolarHBondContact O-N 2.93Å; F89-V92 HydrophobicContact CB-CG2 3.99Å; F89-V92 CarbonylContact O-C 3.54Å; F89-V92 PolarHBondContact O-N 2.84Å; F89-F97 AromaticContact CD2-CD2 3.8Å; F89-F97 HydrophobicContact CD2-CD2 3.8Å; F89-F97 AromaticContact CD2-CE2 3.77Å; F89-F97 HydrophobicContact CD2-CE2 3.77Å; F89-F97 AromaticContact CE2-CD2 3.69Å; F89-F97 HydrophobicContact CE2-CD2 3.69Å; F89-F97 AromaticContact CE2-CE2 3.93Å; F89-F97 HydrophobicContact CE2-CE2 3.93Å; F89-F97 HydrophobicContact CE2-CG 4.5Å | ||
| 90 | P | 83.7 | Confident | 88.4 | Confident | 64 Ų | 64 | 43.8 Ų | 43.8 | 42% | 0.416 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -11.5 | -176 | 25.1 | -31.5 | 0 | 0 | 0 | 114.3 | Q66 V92 P93 | Q66-P90 HydrophobicContact CB-CG 3.51Å; Q66-P90 WeakPolarHBondContact O-CD 3.32Å; Q66-P90 WeakPolarHBondContact O-CG 3.31Å; P90-V92 PolarHBondContact O-N 2.89Å; P90-P93 WeakPolarHBondContact O-CD 3.36Å |
| 91 | S | 80.2 | Confident | 88.7 | Confident | 39 Ų | 39 | 45.4 Ų | 45.4 | 27% | 0.273 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -23.2 | 165.9 | 55.4 | 0 | 0 | 0 | 0 | 113.2 | F89 | F89-S91 PolarHBondContact O-N 2.93Š|
| 92 | V | 86.3 | Confident | 89 | Confident | 11 Ų | 11 | 49.3 Ų | 49.3 | 7% | 0.067 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -140.5 | 67.5 | -179.8 | -76.2 | 0 | 0 | 0 | 0 | 110.1 | L35 R36 F89 P90 N94 K95 | L35-V92 HydrophobicContact CB-CG2 4.17Å; L35-V92 HydrophobicContact CD2-CG2 3.9Å; L35-V92 HydrophobicContact CG-CG2 4.48Å; L35-V92 VanDerWaalsContact O-CG1 3.24Å; L35-V92 WeakPolarHBondContact O-CG1 3.4Å; R36-V92 WeakPolarHBondContact O-CG1 3.29Å; F89-V92 HydrophobicContact CB-CG2 3.99Å; F89-V92 CarbonylContact O-C 3.54Å; F89-V92 PolarHBondContact O-N 2.84Å; P90-V92 PolarHBondContact O-N 2.89Å; V92-N94 PolarHBondContact O-N 3.18Å; V92-K95 HydrophobicContact CB-CB 4.11Å; V92-K95 HydrophobicContact CB-CD 4.18Å; V92-K95 HydrophobicContact CB-CG 4.06Å; V92-K95 HydrophobicContact CG1-CD 4.49Å; V92-K95 HydrophobicContact CG2-CB 4Å; V92-K95 HydrophobicContact CG2-CD 4.13Å; V92-K95 HydrophobicContact CG2-CG 4.3Å; V92-K95 WeakPolarHBondContact O-CB 3.38Å; V92-K95 PolarHBondContact O-N 3.03Å |
| 93 | P | 84.7 | Confident | 89.4 | Confident | 85 Ų | 85 | 47.4 Ų | 47.4 | 55% | 0.552 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -21.5 | -170.3 | 27.1 | -35.4 | 0 | 0 | 0 | 113.6 | P90 K95 | P90-P93 WeakPolarHBondContact O-CD 3.36Å; P93-K95 VanDerWaalsContact C-N 3.31Å |
| 94 | N | 87.6 | Confident | 89.7 | Confident | 131 Ų | 131 | 45.6 Ų | 45.6 | 70% | 0.701 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78 | -12.2 | 174.7 | -64 | -19.1 | 0 | 0 | 0 | 113.5 | S8 G9 V92 | S8-N94 WeakPolarHBondContact CA-O 3.23Å; G9-N94 PolarHBondContact N-O 3.5Å; V92-N94 PolarHBondContact O-N 3.18Å |
| 95 | K | 90.7 | Very high | 90 | Very high | 40 Ų | 40 | 44.7 Ų | 44.7 | 17% | 0.174 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 144.6 | 175.6 | -67.8 | -165.4 | -175.5 | -162.2 | 0 | 111.4 | E6 F7 D34 V92 P93 F97 | E6-K95 HydrophobicContact CG-CD 4.43Å; E6-K95 WeakPolarHBondContact OE1-CD 3.4Å; E6-K95 WeakPolarHBondContact OE1-CE 3.44Å; E6-K95 IonicContact OE1-NZ 2.85Å; E6-K95 PolarHBondContact OE1-NZ 3.19Å; F7-K95 VanDerWaalsContact O-CA 3.28Å; F7-K95 WeakPolarHBondContact O-CA 3.45Å; D34-K95 PolarHBondContact O-NZ 2.85Å; V92-K95 HydrophobicContact CB-CB 4.11Å; V92-K95 HydrophobicContact CB-CD 4.18Å; V92-K95 HydrophobicContact CB-CG 4.06Å; V92-K95 HydrophobicContact CG1-CD 4.49Å; V92-K95 HydrophobicContact CG2-CB 4Å; V92-K95 HydrophobicContact CG2-CD 4.13Å; V92-K95 HydrophobicContact CG2-CG 4.3Å; V92-K95 WeakPolarHBondContact O-CB 3.38Å; V92-K95 PolarHBondContact O-N 3.03Å; P93-K95 VanDerWaalsContact C-N 3.31Å; K95-F97 HydrophobicContact CB-CE2 4.08Å; K95-F97 HydrophobicContact CD-CE2 4.32Å; K95-F97 HydrophobicContact CD-CZ 4.01Å |
| 96 | K | 92.5 | Very high | 90.3 | Very high | 74 Ų | 74 | 43.8 Ų | 43.8 | 32% | 0.322 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 139.5 | 172.4 | -49.5 | -174.9 | -179 | 180 | 0 | 109 | F7 M86 Q88 | F7-K96 HydrophobicContact CB-CB 4.45Å; F7-K96 PolarHBondContact N-O 3.04Å; F7-K96 PolarHBondContact O-N 3.2Å; M86-K96 HydrophobicContact CG-CB 4.31Å; M86-K96 HydrophobicContact SD-CB 4.29Å; M86-K96 HydrophobicContact SD-CD 3.8Å; M86-K96 HydrophobicContact SD-CG 4.47Å; Q88-K96 HydrophobicContact CG-CB 4.31Å; Q88-K96 HydrophobicContact CG-CG 4.03Å |
| 97 | F | 93.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 110.4 | -179.8 | -62.2 | -93 | 0 | 0 | 0 | 109.6 | L4 Q5 E6 F26 I33 L35 M86 V87 F89 K95 | L4-F97 HydrophobicContact CD1-CB 4.11Å; L4-F97 HydrophobicContact CD2-CD1 4.35Å; L4-F97 HydrophobicContact CG-CB 4.34Å; Q5-F97 CarbonylContact O-C 3.5Å; Q5-F97 WeakPolarHBondContact O-CA 3.25Å; E6-F97 HydrophobicContact CB-CD1 3.94Å; E6-F97 HydrophobicContact CB-CE1 3.72Å; E6-F97 HydrophobicContact CG-CD1 4.23Å; E6-F97 HydrophobicContact CG-CE1 3.62Å; E6-F97 HydrophobicContact CG-CZ 4.03Å; F26-F97 HydrophobicContact CE1-CD1 4.45Å; F26-F97 HydrophobicContact CE1-CG 4.4Å; I33-F97 HydrophobicContact CG2-CD1 4.47Å; I33-F97 HydrophobicContact CG2-CE1 3.55Å; I33-F97 HydrophobicContact CG2-CZ 3.67Å; L35-F97 HydrophobicContact CD2-CE2 3.62Å; L35-F97 HydrophobicContact CD2-CZ 3.58Å; M86-F97 CarbonylContact C-O 3.45Å; M86-F97 WeakPolarHBondContact CA-O 3.3Å; V87-F97 HydrophobicContact CB-CB 4.3Å; V87-F97 PolarHBondContact N-O 3.29Å; V87-F97 PolarHBondContact O-N 2.99Å; F89-F97 AromaticContact CD2-CD2 3.8Å; F89-F97 HydrophobicContact CD2-CD2 3.8Å; F89-F97 AromaticContact CD2-CE2 3.77Å; F89-F97 HydrophobicContact CD2-CE2 3.77Å; F89-F97 AromaticContact CE2-CD2 3.69Å; F89-F97 HydrophobicContact CE2-CD2 3.69Å; F89-F97 AromaticContact CE2-CE2 3.93Å; F89-F97 HydrophobicContact CE2-CE2 3.93Å; F89-F97 HydrophobicContact CE2-CG 4.5Å; K95-F97 HydrophobicContact CB-CE2 4.08Å; K95-F97 HydrophobicContact CD-CE2 4.32Å; K95-F97 HydrophobicContact CD-CZ 4.01Å |
| 98 | I | 94.1 | Very high | 90.9 | Very high | 40 Ų | 40 | 42.4 Ų | 42.4 | 21% | 0.205 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 124.2 | -178.5 | -50.6 | 179 | 0 | 0 | 0 | 109.2 | Q5 F7 M86 I100 | Q5-I98 PolarHBondContact N-O 2.95Å; Q5-I98 PolarHBondContact O-N 2.65Å; F7-I98 HydrophobicContact CD2-CD1 3.96Å; F7-I98 HydrophobicContact CD2-CG1 4.13Å; F7-I98 HydrophobicContact CE2-CB 4.38Å; F7-I98 HydrophobicContact CE2-CD1 3.74Å; F7-I98 HydrophobicContact CE2-CG1 4.12Å; F7-I98 HydrophobicContact CZ-CD1 4.46Å; M86-I98 HydrophobicContact CB-CG1 4.19Å; M86-I98 HydrophobicContact CG-CG1 4.05Å; I98-I100 HydrophobicContact CG2-CD1 3.93Å; I98-I100 HydrophobicContact CG2-CG1 3.78Å |
| 99 | L | 92.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 123.6 | 175.8 | 175.1 | 71 | 0 | 0 | 0 | 109.7 | W2 L4 I18 F57 M81 G84 D85 | W2-L99 HydrophobicContact CE3-CD1 3.9Å; W2-L99 HydrophobicContact CE3-CG 4.08Å; W2-L99 HydrophobicContact CZ3-CD1 4.38Å; W2-L99 HydrophobicContact CZ3-CD2 4.19Å; W2-L99 HydrophobicContact CZ3-CG 4.07Å; L4-L99 HydrophobicContact CD1-CB 4.22Å; I18-L99 HydrophobicContact CD1-CD1 4.27Å; F57-L99 HydrophobicContact CB-CD2 4.31Å; F57-L99 HydrophobicContact CD2-CD1 4.09Å; F57-L99 HydrophobicContact CD2-CD2 3.26Å; F57-L99 HydrophobicContact CD2-CG 4.25Å; F57-L99 HydrophobicContact CE1-CD1 4.33Å; F57-L99 HydrophobicContact CE2-CD1 3.64Å; F57-L99 HydrophobicContact CE2-CD2 3.6Å; F57-L99 HydrophobicContact CE2-CG 4.13Å; F57-L99 HydrophobicContact CG-CD2 3.88Å; F57-L99 HydrophobicContact CZ-CD1 3.79Å; F57-L99 HydrophobicContact CZ-CD2 4.49Å; M81-L99 HydrophobicContact CB-CD2 3.87Å; M81-L99 HydrophobicContact CE-CB 3.78Å; M81-L99 HydrophobicContact CE-CD2 3.97Å; M81-L99 HydrophobicContact CE-CG 4.47Å; G84-L99 PolarHBondContact N-O 3.46Å; D85-L99 PolarHBondContact O-N 3.06Å |
| 100 | I | 91.7 | Very high | 91.4 | Very high | 42 Ų | 42 | 43.3 Ų | 43.3 | 22% | 0.215 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 131.8 | -176.7 | -56.6 | -172.8 | 0 | 0 | 0 | 110.9 | E3 I98 K102 | E3-I100 PolarHBondContact N-O 3.29Å; E3-I100 PolarHBondContact O-N 2.87Å; I98-I100 HydrophobicContact CG2-CD1 3.93Å; I98-I100 HydrophobicContact CG2-CG1 3.78Å; I100-K102 HydrophobicContact CG2-CG 4Å |
| 101 | Y | 89.6 | Confident | 91.8 | Very high | 89 Ų | 89 | 40.6 Ų | 40.6 | 35% | 0.349 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 131.6 | 163.5 | -175.9 | -100.3 | 0 | 0 | 0 | 110.7 | M1 W2 S83 E103 | M1-Y101 WeakPolarHBondContact O-CD2 3.31Å; W2-Y101 AromaticContact CD1-CD2 3.77Å; W2-Y101 AromaticContact CD2-CD2 3.8Å; W2-Y101 HydrophobicContact CD2-CD2 3.8Å; W2-Y101 HydrophobicContact CD2-CG 4.41Å; W2-Y101 AromaticContact CE2-CD2 3.46Å; W2-Y101 VanDerWaalsContact CE2-CD2 3.46Å; W2-Y101 AromaticContact CG-CD2 3.99Å; W2-Y101 HydrophobicContact CG-CD2 3.99Å; W2-Y101 HydrophobicContact CZ2-CD2 4Å; W2-Y101 HydrophobicContact CZ2-CG 4.31Å; W2-Y101 AromaticContact NE1-CD2 3.4Å; W2-Y101 AromaticContact NE1-CE2 3.83Å; S83-Y101 PolarHBondContact OG-N 2.89Å; Y101-E103 HydrophobicContact CE1-CG 4.22Å |
| 102 | K | 89.3 | Confident | 92.4 | Very high | 83 Ų | 83 | 43.5 Ų | 43.5 | 36% | 0.361 | 22% | 0.219 | S | C | . | . | trans | -126.6 | 135.8 | 170.5 | -64.1 | -174.6 | -173.4 | 157.1 | 0 | 111.2 | M1 E3 I100 | M1-K102 PolarHBondContact N-O 3.47Å; M1-K102 PolarHBondContact O-N 3.17Å; E3-K102 IonicContact OE1-NZ 2.67Å; E3-K102 WeakPolarHBondContact OE2-CD 3.37Å; E3-K102 WeakPolarHBondContact OE2-CE 3.19Å; E3-K102 IonicContact OE2-NZ 2.8Å; E3-K102 PolarHBondContact OE2-NZ 2.95Å; I100-K102 HydrophobicContact CG2-CG 4Å | ||
| 103 | E | 91.8 | Very high | 92.8 | Very high | 104 Ų | 104 | 53.3 Ų | 53.3 | 49% | 0.486 | 26% | 0.255 | S | S | . | . | trans | -71.4 | 147.3 | 162.7 | -62 | -169.5 | 159.4 | 0 | 0 | 110.4 | Y101 N105 N139 | Y101-E103 HydrophobicContact CE1-CG 4.22Å; E103-N105 PolarHBondContact OE2-ND2 3.33Å; E103-N105 VanDerWaalsContact OE2-ND2 3.08Å; E103-N139 PolarHBondContact O-ND2 3.42Å | ||
| 104 | I | 94.2 | Very high | 93.3 | Very high | 22 Ų | 22 | 54.1 Ų | 54.1 | 11% | 0.113 | 25% | 0.254 | C | S | . | . | trans | -107.7 | 103.4 | 175.1 | -54.7 | 177.7 | 0 | 0 | 0 | 107.7 | M1 I106 A128 K129 I140 | M1-I104 HydrophobicContact CB-CD1 3.93Å; M1-I104 HydrophobicContact CB-CG1 4.23Å; M1-I104 HydrophobicContact CE-CD1 3.57Å; M1-I104 HydrophobicContact CG-CD1 4.48Å; M1-I104 HydrophobicContact SD-CD1 3.74Å; I104-I106 HydrophobicContact CG2-CD1 4.09Å; I104-I106 HydrophobicContact CG2-CG1 3.99Å; I104-A128 HydrophobicContact CB-CB 3.85Å; I104-A128 HydrophobicContact CG2-CB 3.65Å; I104-A128 CarbonylContact O-C 3.47Å; I104-A128 VanDerWaalsContact O-CA 3.25Å; I104-A128 WeakPolarHBondContact O-CA 3.36Å; I104-A128 WeakPolarHBondContact O-CB 3.49Å; I104-K129 PolarHBondContact O-N 3.11Å; I104-I140 HydrophobicContact CG2-CD1 3.95Å | ||
| 105 | N | 97.2 | Very high | 93.7 | Very high | 6 Ų | 6 | 49 Ų | 49 | 3% | 0.032 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 97.9 | -170.8 | -65.2 | -20 | 0 | 0 | 0 | 108.4 | E103 K129 L131 E137 N139 I140 | E103-N105 PolarHBondContact OE2-ND2 3.33Å; E103-N105 VanDerWaalsContact OE2-ND2 3.08Å; N105-K129 CarbonylContact C-O 3.57Å; N105-K129 WeakPolarHBondContact CA-O 3.25Å; N105-K129 WeakPolarHBondContact OD1-CB 3.28Å; N105-K129 WeakPolarHBondContact OD1-CD 3.41Å; N105-L131 HydrophobicContact CB-CD1 4.43Å; N105-E137 WeakPolarHBondContact CB-O 3.35Å; N105-E137 PolarHBondContact ND2-O 3.37Å; N105-N139 PolarHBondContact N-OD1 2.98Å; N105-N139 PolarHBondContact O-N 3.14Å; N105-N139 PolarHBondContact O-OD1 3.44Å; N105-I140 PolarHBondContact O-N 2.91Å |
| 106 | I | 97.6 | Very high | 94 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 133.3 | -168.6 | -66.6 | 168.1 | 0 | 0 | 0 | 110.8 | I104 F108 A123 I126 A128 K129 L131 I140 V142 L168 | I104-I106 HydrophobicContact CG2-CD1 4.09Å; I104-I106 HydrophobicContact CG2-CG1 3.99Å; I106-F108 HydrophobicContact CG2-CD1 4.33Å; I106-F108 HydrophobicContact CG2-CE1 3.96Å; I106-F108 HydrophobicContact CG2-CE2 4.33Å; I106-F108 HydrophobicContact CG2-CZ 3.96Å; I106-A123 HydrophobicContact CD1-CB 3.89Å; I106-I126 HydrophobicContact CD1-CD1 4.48Å; I106-A128 HydrophobicContact CD1-CB 3.48Å; I106-A128 VanDerWaalsContact CD1-CB 3.48Å; I106-A128 HydrophobicContact CG1-CB 4.17Å; I106-K129 PolarHBondContact N-O 2.9Å; I106-L131 PolarHBondContact O-N 2.98Å; I106-I140 WeakPolarHBondContact CA-O 3.45Å; I106-I140 HydrophobicContact CG1-CB 4.41Å; I106-V142 HydrophobicContact CG2-CB 4.31Å; I106-V142 HydrophobicContact CG2-CG2 3.7Å; I106-L168 HydrophobicContact CD1-CD1 4.18Å; I106-L168 HydrophobicContact CD1-CD2 3.51Å; I106-L168 HydrophobicContact CG1-CD2 4.42Å |
| 107 | L | 97.5 | Very high | 94.2 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 131.4 | 167.3 | -176.1 | 61.2 | 0 | 0 | 0 | 111.1 | L131 D133 W134 I140 L141 V142 K151 | L107-L131 HydrophobicContact CB-CB 4.5Å; L107-L131 HydrophobicContact CD1-CB 4.09Å; L107-D133 WeakPolarHBondContact CD1-O 3.48Å; L107-W134 HydrophobicContact CD2-CB 4.5Å; L107-W134 HydrophobicContact CD2-CE3 3.65Å; L107-W134 HydrophobicContact CD2-CZ3 4.27Å; L107-I140 PolarHBondContact N-O 3.11Å; L107-L141 HydrophobicContact CB-CD1 4.04Å; L107-L141 HydrophobicContact CD2-CD1 4.07Å; L107-L141 HydrophobicContact CG-CD1 4.02Å; L107-V142 PolarHBondContact O-N 3.28Å; L107-K151 HydrophobicContact CD1-CD 4.32Å; L107-K151 HydrophobicContact CD2-CB 4.39Å; L107-K151 HydrophobicContact CD2-CD 3.82Å; L107-K151 HydrophobicContact CD2-CG 4.03Å; L107-K151 HydrophobicContact CG-CD 4.05Å |
| 108 | F | 97.2 | Very high | 94.3 | Very high | 13 Ų | 13 | 64.4 Ų | 64.4 | 6% | 0.057 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 134.3 | 175.8 | -65.4 | -62.7 | 0 | 0 | 0 | 111.9 | I106 M111 R116 K120 V130 V142 L168 | I106-F108 HydrophobicContact CG2-CD1 4.33Å; I106-F108 HydrophobicContact CG2-CE1 3.96Å; I106-F108 HydrophobicContact CG2-CE2 4.33Å; I106-F108 HydrophobicContact CG2-CZ 3.96Å; F108-M111 HydrophobicContact CB-SD 4.32Å; F108-M111 HydrophobicContact CD1-CE 4.23Å; F108-M111 HydrophobicContact CD1-SD 3.5Å; F108-M111 VanDerWaalsContact CD1-SD 3.5Å; F108-M111 HydrophobicContact CE1-CE 4.45Å; F108-M111 HydrophobicContact CE1-SD 4.23Å; F108-M111 HydrophobicContact CG-SD 4.27Å; F108-R116 HydrophobicContact CB-CG 4.17Å; F108-R116 HydrophobicContact CD2-CG 4.07Å; F108-R116 HydrophobicContact CG-CG 4.04Å; F108-K120 HydrophobicContact CE2-CB 4.1Å; F108-V130 HydrophobicContact CD2-CG1 3.84Å; F108-V130 HydrophobicContact CE2-CG1 3.58Å; F108-V130 HydrophobicContact CE2-CG2 4.14Å; F108-V142 WeakPolarHBondContact CA-O 3.22Å; F108-V142 HydrophobicContact CD1-CB 3.74Å; F108-V142 HydrophobicContact CD1-CG1 3.96Å; F108-V142 HydrophobicContact CE1-CB 3.85Å; F108-V142 HydrophobicContact CE1-CG1 3.83Å; F108-V142 HydrophobicContact CE1-CG2 4.43Å; F108-L168 HydrophobicContact CE1-CD1 4.25Å; F108-L168 HydrophobicContact CZ-CD1 4.46Å |
| 109 | S | 95.5 | Very high | 94.4 | Very high | 5 Ų | 5 | 62.9 Ų | 62.9 | 4% | 0.035 | 29% | 0.285 | C | S | . | . | trans | -128.4 | 142.3 | 175.2 | -177.9 | 0 | 0 | 0 | 0 | 111.6 | M111 V142 M143 T149 | S109-M111 WeakPolarHBondContact O-CG 3.28Å; S109-M111 PolarHBondContact O-N 2.78Å; S109-V142 PolarHBondContact N-O 3.49Å; S109-M143 WeakPolarHBondContact O-CB 3.46Å; S109-T149 PolarHBondContact OG-OG1 2.95Å | ||
| 110 | S | 91.1 | Very high | 94.7 | Very high | 60 Ų | 60 | 67.8 Ų | 67.8 | 42% | 0.42 | 31% | 0.306 | S | S | . | . | S | Bend | trans | 46.1 | 30.7 | 172.4 | -56.8 | 0 | 0 | 0 | 0 | 117.4 | T149 | S110-T149 VanDerWaalsContact OG-CG2 3.29Å; S110-T149 WeakPolarHBondContact OG-CG2 3.25Å |
| 111 | M | 92.9 | Very high | 94.9 | Very high | 7 Ų | 7 | 68.4 Ų | 68.4 | 3% | 0.034 | 32% | 0.317 | C | S | . | . | trans | -98.8 | 138.3 | 179.3 | -73.2 | 170.8 | 72.1 | 0 | 0 | 113.3 | F108 S109 T115 R116 S119 V142 Q144 P165 | F108-M111 HydrophobicContact CB-SD 4.32Å; F108-M111 HydrophobicContact CD1-CE 4.23Å; F108-M111 HydrophobicContact CD1-SD 3.5Å; F108-M111 VanDerWaalsContact CD1-SD 3.5Å; F108-M111 HydrophobicContact CE1-CE 4.45Å; F108-M111 HydrophobicContact CE1-SD 4.23Å; F108-M111 HydrophobicContact CG-SD 4.27Å; S109-M111 WeakPolarHBondContact O-CG 3.28Å; S109-M111 PolarHBondContact O-N 2.78Å; M111-T115 HydrophobicContact CE-CG2 3.68Å; M111-R116 HydrophobicContact CB-CB 4.1Å; M111-R116 HydrophobicContact CB-CG 4.45Å; M111-R116 PolarHBondContact O-NE 3.42Å; M111-R116 PolarHBondContact O-NH2 2.88Å; M111-S119 WeakPolarHBondContact CE-OG 3.49Å; M111-V142 HydrophobicContact SD-CG1 4.11Å; M111-Q144 HydrophobicContact CG-CB 4.35Å; M111-P165 HydrophobicContact CE-CG 3.61Å | ||
| 112 | E | 93.4 | Very high | 95.3 | Very high | 101 Ų | 101 | 64.5 Ų | 64.5 | 47% | 0.472 | 30% | 0.303 | S | S | . | . | trans | -58.4 | 154.1 | 171.8 | -162.7 | -111.6 | 99.4 | 0 | 0 | 112 | N114 T115 R116 | E112-N114 VanDerWaalsContact C-N 3.34Å; E112-N114 PolarHBondContact O-N 2.86Å; E112-N114 VanDerWaalsContact OE1-CB 3.27Å; E112-N114 WeakPolarHBondContact OE1-CB 3.18Å; E112-N114 PolarHBondContact OE1-N 2.89Å; E112-N114 PolarHBondContact OE1-ND2 2.85Å; E112-T115 PolarHBondContact O-N 3.07Å; E112-R116 VanDerWaalsContact O-CB 3.3Å; E112-R116 WeakPolarHBondContact O-CB 3.41Å; E112-R116 PolarHBondContact O-N 3.08Å | ||
| 113 | R | 94.5 | Very high | 95.6 | Very high | 217 Ų | 217 | 60.6 Ų | 60.6 | 82% | 0.819 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -60.6 | -41.6 | -169.9 | -172.1 | -176.6 | -70.4 | 178.1 | -1.1 | 111.9 | K117 | R113-K117 WeakPolarHBondContact O-CB 3.2Å; R113-K117 PolarHBondContact O-N 2.82Å; R113-K117 VanDerWaalsContact O-N 3.09Å |
| 114 | N | 95.4 | Very high | 95.7 | Very high | 101 Ų | 101 | 60.2 Ų | 60.2 | 54% | 0.54 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -72.6 | -47.7 | -179.1 | -63.9 | -62.3 | 0 | 0 | 0 | 111.8 | E112 R116 K117 K118 | E112-N114 VanDerWaalsContact C-N 3.34Å; E112-N114 PolarHBondContact O-N 2.86Å; E112-N114 VanDerWaalsContact OE1-CB 3.27Å; E112-N114 WeakPolarHBondContact OE1-CB 3.18Å; E112-N114 PolarHBondContact OE1-N 2.89Å; E112-N114 PolarHBondContact OE1-ND2 2.85Å; N114-R116 VanDerWaalsContact C-N 3.34Å; N114-R116 PolarHBondContact O-N 2.99Å; N114-K117 PolarHBondContact O-N 2.83Å; N114-K118 PolarHBondContact O-N 2.88Å |
| 115 | T | 95.4 | Very high | 95.7 | Very high | 25 Ų | 25 | 63.9 Ų | 63.9 | 15% | 0.153 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.3 | -48 | 175.7 | -43 | 0 | 0 | 0 | 0 | 110.6 | M111 E112 K117 K118 S119 Q144 P165 | M111-T115 HydrophobicContact CE-CG2 3.68Å; E112-T115 PolarHBondContact O-N 3.07Å; T115-K117 VanDerWaalsContact C-N 3.33Å; T115-K117 PolarHBondContact O-N 2.68Å; T115-K118 PolarHBondContact O-N 2.84Å; T115-S119 PolarHBondContact O-N 2.93Å; T115-S119 PolarHBondContact O-OG 2.71Å; T115-S119 VanDerWaalsContact O-OG 3.11Å; T115-Q144 PolarHBondContact OG1-OE1 2.95Å; T115-Q144 VanDerWaalsContact OG1-OE1 3.07Å; T115-P165 HydrophobicContact CG2-CG 4.01Å |
| 116 | R | 96.2 | Very high | 95.5 | Very high | 113 Ų | 113 | 64 Ų | 64 | 43% | 0.426 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62 | -37.3 | 178.6 | -160.4 | -171.6 | -53.7 | -160 | 3.2 | 112.7 | F108 M111 E112 N114 K120 | F108-R116 HydrophobicContact CB-CG 4.17Å; F108-R116 HydrophobicContact CD2-CG 4.07Å; F108-R116 HydrophobicContact CG-CG 4.04Å; M111-R116 HydrophobicContact CB-CB 4.1Å; M111-R116 HydrophobicContact CB-CG 4.45Å; M111-R116 PolarHBondContact O-NE 3.42Å; M111-R116 PolarHBondContact O-NH2 2.88Å; E112-R116 VanDerWaalsContact O-CB 3.3Å; E112-R116 WeakPolarHBondContact O-CB 3.41Å; E112-R116 PolarHBondContact O-N 3.08Å; N114-R116 VanDerWaalsContact C-N 3.34Å; N114-R116 PolarHBondContact O-N 2.99Å; R116-K120 WeakPolarHBondContact O-CB 3.16Å; R116-K120 PolarHBondContact O-N 2.83Å |
| 117 | K | 96.7 | Very high | 95.2 | Very high | 168 Ų | 168 | 71.8 Ų | 71.8 | 73% | 0.73 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -64.5 | -43 | 175 | -174 | 178.7 | 178 | -177.4 | 0 | 111.6 | R113 N114 T115 A121 | R113-K117 WeakPolarHBondContact O-CB 3.2Å; R113-K117 PolarHBondContact O-N 2.82Å; R113-K117 VanDerWaalsContact O-N 3.09Å; N114-K117 PolarHBondContact O-N 2.83Å; T115-K117 VanDerWaalsContact C-N 3.33Å; T115-K117 PolarHBondContact O-N 2.68Å; K117-A121 PolarHBondContact O-N 2.82Å |
| 118 | K | 96.7 | Very high | 95 | Very high | 156 Ų | 156 | 72.1 Ų | 72.1 | 68% | 0.678 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -62.2 | -53.5 | 174.4 | -69 | 179 | 178.2 | -177.3 | 0 | 111.1 | N114 T115 K120 A121 V122 | N114-K118 PolarHBondContact O-N 2.88Å; T115-K118 PolarHBondContact O-N 2.84Å; K118-K120 VanDerWaalsContact C-N 3.29Å; K118-K120 PolarHBondContact O-N 2.78Å; K118-A121 WeakPolarHBondContact O-CA 3.48Å; K118-A121 WeakPolarHBondContact O-CB 3.27Å; K118-A121 PolarHBondContact O-N 2.98Å; K118-V122 PolarHBondContact O-N 2.9Å |
| 119 | S | 97.1 | Very high | 95 | Very high | 7 Ų | 7 | 75.9 Ų | 75.9 | 5% | 0.049 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.9 | -32 | -178.8 | -53 | 0 | 0 | 0 | 0 | 113.5 | M111 T115 V122 A123 P165 | M111-S119 WeakPolarHBondContact CE-OG 3.49Å; T115-S119 PolarHBondContact O-N 2.93Å; T115-S119 PolarHBondContact O-OG 2.71Å; T115-S119 VanDerWaalsContact O-OG 3.11Å; S119-V122 PolarHBondContact O-N 2.9Å; S119-A123 WeakPolarHBondContact O-CB 3.24Å; S119-A123 PolarHBondContact O-N 2.98Å; S119-P165 WeakPolarHBondContact OG-CB 3.32Å |
| 120 | K | 97.1 | Very high | 95.1 | Very high | 103 Ų | 103 | 77.4 Ų | 77.4 | 45% | 0.448 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -67.8 | -36.3 | 171.4 | -176.7 | 164 | -174.3 | 173.1 | 0 | 112.4 | F108 R116 K118 A123 N124 V130 | F108-K120 HydrophobicContact CE2-CB 4.1Å; R116-K120 WeakPolarHBondContact O-CB 3.16Å; R116-K120 PolarHBondContact O-N 2.83Å; K118-K120 VanDerWaalsContact C-N 3.29Å; K118-K120 PolarHBondContact O-N 2.78Å; K120-A123 PolarHBondContact O-N 2.99Å; K120-N124 VanDerWaalsContact O-CG 3.28Å; K120-N124 PolarHBondContact O-N 2.93Å; K120-N124 PolarHBondContact O-OD1 3.22Å; K120-V130 HydrophobicContact CD-CG1 4.25Å; K120-V130 HydrophobicContact CG-CG2 4.33Å |
| 121 | A | 97.1 | Very high | 95.3 | Very high | 55 Ų | 55 | 75.6 Ų | 75.6 | 46% | 0.455 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.5 | -39.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | K117 K118 N124 L125 | K117-A121 PolarHBondContact O-N 2.82Å; K118-A121 WeakPolarHBondContact O-CA 3.48Å; K118-A121 WeakPolarHBondContact O-CB 3.27Å; K118-A121 PolarHBondContact O-N 2.98Å; A121-N124 PolarHBondContact O-N 2.8Å; A121-L125 WeakPolarHBondContact O-CG 3.44Å; A121-L125 PolarHBondContact O-N 3.21Å |
| 122 | V | 97.1 | Very high | 95.4 | Very high | 8 Ų | 8 | 81 Ų | 81 | 5% | 0.048 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.2 | -48.3 | 173.2 | 179.5 | 0 | 0 | 0 | 0 | 111.3 | K118 S119 N124 L125 I126 L168 E169 K172 | K118-V122 PolarHBondContact O-N 2.9Å; S119-V122 PolarHBondContact O-N 2.9Å; V122-N124 VanDerWaalsContact C-N 3.28Å; V122-N124 PolarHBondContact O-N 3.38Å; V122-L125 WeakPolarHBondContact O-CB 3.3Å; V122-L125 PolarHBondContact O-N 2.82Å; V122-I126 PolarHBondContact O-N 3.03Å; V122-L168 HydrophobicContact CB-CB 4.47Å; V122-L168 HydrophobicContact CG1-CB 3.67Å; V122-L168 WeakPolarHBondContact CG1-O 3.29Å; V122-E169 HydrophobicContact CG2-CG 4.34Å; V122-E169 WeakPolarHBondContact CG2-OE1 3.42Å; V122-K172 HydrophobicContact CG1-CB 4.19Å; V122-K172 HydrophobicContact CG1-CD 3.95Å |
| 123 | A | 96.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 80.5 Ų | 80.5 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -55.3 | -41.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I106 S119 K120 L125 I126 H127 A128 V130 | I106-A123 HydrophobicContact CD1-CB 3.89Å; S119-A123 WeakPolarHBondContact O-CB 3.24Å; S119-A123 PolarHBondContact O-N 2.98Å; K120-A123 PolarHBondContact O-N 2.99Å; A123-L125 VanDerWaalsContact C-N 3.35Å; A123-L125 PolarHBondContact O-N 3.34Å; A123-I126 VanDerWaalsContact O-CG1 3.3Å; A123-I126 WeakPolarHBondContact O-CG1 3.34Å; A123-I126 PolarHBondContact O-N 3.36Å; A123-H127 PolarHBondContact O-N 3.21Å; A123-A128 HydrophobicContact CB-CB 4.29Å; A123-A128 WeakPolarHBondContact O-CB 3.36Å; A123-A128 PolarHBondContact O-N 3.44Å; A123-V130 HydrophobicContact CB-CG2 3.54Å |
| 124 | N | 94.4 | Very high | 95.1 | Very high | 96 Ų | 96 | 72.3 Ų | 72.3 | 51% | 0.513 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.1 | -37.2 | 175.5 | -71.5 | 7.7 | 0 | 0 | 0 | 112.9 | K120 A121 V122 H127 | K120-N124 VanDerWaalsContact O-CG 3.28Å; K120-N124 PolarHBondContact O-N 2.93Å; K120-N124 PolarHBondContact O-OD1 3.22Å; A121-N124 PolarHBondContact O-N 2.8Å; V122-N124 VanDerWaalsContact C-N 3.28Å; V122-N124 PolarHBondContact O-N 3.38Å; N124-H127 PolarHBondContact O-N 2.94Å |
| 125 | L | 93.4 | Very high | 95 | Very high | 99 Ų | 99 | 69.2 Ų | 69.2 | 52% | 0.518 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -69 | -36.2 | 179.8 | -69.5 | 168.1 | 0 | 0 | 0 | 112.3 | A121 V122 A123 H127 K172 Q175 | A121-L125 WeakPolarHBondContact O-CG 3.44Å; A121-L125 PolarHBondContact O-N 3.21Å; V122-L125 WeakPolarHBondContact O-CB 3.3Å; V122-L125 PolarHBondContact O-N 2.82Å; A123-L125 VanDerWaalsContact C-N 3.35Å; A123-L125 PolarHBondContact O-N 3.34Å; L125-H127 PolarHBondContact O-N 3.09Å; L125-K172 HydrophobicContact CD1-CD 4.07Å; L125-Q175 PolarHBondContact O-NE2 3.17Å; L125-Q175 PolarHBondContact O-OE1 3.26Å |
| 126 | I | 92.2 | Very high | 94.8 | Very high | 10 Ų | 10 | 73.4 Ų | 73.4 | 5% | 0.051 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 14.7 | 175.3 | 65.6 | 166.7 | 0 | 0 | 0 | 113 | I106 V122 A123 A128 L168 I171 K172 | I106-I126 HydrophobicContact CD1-CD1 4.48Å; V122-I126 PolarHBondContact O-N 3.03Å; A123-I126 VanDerWaalsContact O-CG1 3.3Å; A123-I126 WeakPolarHBondContact O-CG1 3.34Å; A123-I126 PolarHBondContact O-N 3.36Å; I126-A128 HydrophobicContact CD1-CB 4.11Å; I126-A128 HydrophobicContact CG1-CB 3.94Å; I126-A128 PolarHBondContact O-N 2.92Å; I126-L168 HydrophobicContact CD1-CD2 4.15Å; I126-I171 HydrophobicContact CB-CG2 4.22Å; I126-I171 HydrophobicContact CD1-CB 4.39Å; I126-I171 HydrophobicContact CD1-CG2 3.75Å; I126-I171 HydrophobicContact CG2-CG2 4.03Å; I126-K172 HydrophobicContact CG2-CB 3.69Å; I126-K172 HydrophobicContact CG2-CG 4.32Å |
| 127 | H | 91.1 | Very high | 94.7 | Very high | 163 Ų | 163 | 72.4 Ų | 72.4 | 76% | 0.755 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 30.8 | -178.7 | -53.4 | -83.2 | 0 | 0 | 0 | 115.1 | A123 N124 L125 | A123-H127 PolarHBondContact O-N 3.21Å; N124-H127 PolarHBondContact O-N 2.94Å; L125-H127 PolarHBondContact O-N 3.09Å |
| 128 | A | 94.7 | Very high | 94.7 | Very high | 8 Ų | 8 | 64.7 Ų | 64.7 | 7% | 0.066 | 34% | 0.34 | C | S | . | . | trans | -85.5 | 135.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | I104 I106 A123 I126 V130 | I104-A128 HydrophobicContact CB-CB 3.85Å; I104-A128 HydrophobicContact CG2-CB 3.65Å; I104-A128 CarbonylContact O-C 3.47Å; I104-A128 VanDerWaalsContact O-CA 3.25Å; I104-A128 WeakPolarHBondContact O-CA 3.36Å; I104-A128 WeakPolarHBondContact O-CB 3.49Å; I106-A128 HydrophobicContact CD1-CB 3.48Å; I106-A128 VanDerWaalsContact CD1-CB 3.48Å; I106-A128 HydrophobicContact CG1-CB 4.17Å; A123-A128 HydrophobicContact CB-CB 4.29Å; A123-A128 WeakPolarHBondContact O-CB 3.36Å; A123-A128 PolarHBondContact O-N 3.44Å; I126-A128 HydrophobicContact CD1-CB 4.11Å; I126-A128 HydrophobicContact CG1-CB 3.94Å; I126-A128 PolarHBondContact O-N 2.92Å; A128-V130 PolarHBondContact O-N 2.89Å | ||
| 129 | K | 96.3 | Very high | 94.6 | Very high | 91 Ų | 91 | 59.9 Ų | 59.9 | 40% | 0.396 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 109.3 | 175.4 | -169.8 | -172.1 | -168.4 | -177.5 | 0 | 108.9 | I104 N105 I106 L131 E137 | I104-K129 PolarHBondContact O-N 3.11Å; N105-K129 CarbonylContact C-O 3.57Å; N105-K129 WeakPolarHBondContact CA-O 3.25Å; N105-K129 WeakPolarHBondContact OD1-CB 3.28Å; N105-K129 WeakPolarHBondContact OD1-CD 3.41Å; I106-K129 PolarHBondContact N-O 2.9Å; K129-L131 HydrophobicContact CD-CD2 4.25Å; K129-L131 HydrophobicContact CG-CD2 4.38Å; K129-L131 PolarHBondContact O-N 2.61Å; K129-E137 IonicContact NZ-OE1 2.67Å; K129-E137 PolarHBondContact NZ-OE1 3.25Å; K129-E137 IonicContact NZ-OE2 2.67Å; K129-E137 PolarHBondContact NZ-OE2 3.38Å |
| 130 | V | 97.2 | Very high | 94.6 | Very high | 37 Ų | 37 | 60.1 Ų | 60.1 | 22% | 0.224 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 107.5 | 177.3 | 176.4 | 0 | 0 | 0 | 0 | 110.1 | F108 K120 A123 A128 | F108-V130 HydrophobicContact CD2-CG1 3.84Å; F108-V130 HydrophobicContact CE2-CG1 3.58Å; F108-V130 HydrophobicContact CE2-CG2 4.14Å; K120-V130 HydrophobicContact CD-CG1 4.25Å; K120-V130 HydrophobicContact CG-CG2 4.33Å; A123-V130 HydrophobicContact CB-CG2 3.54Å; A128-V130 PolarHBondContact O-N 2.89Å |
| 131 | L | 96.8 | Very high | 94.7 | Very high | 22 Ų | 22 | 55.2 Ų | 55.2 | 12% | 0.115 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 140.7 | 177.3 | -58 | 177.3 | 0 | 0 | 0 | 111.1 | N105 I106 L107 K129 C138 | N105-L131 HydrophobicContact CB-CD1 4.43Å; I106-L131 PolarHBondContact O-N 2.98Å; L107-L131 HydrophobicContact CB-CB 4.5Å; L107-L131 HydrophobicContact CD1-CB 4.09Å; K129-L131 HydrophobicContact CD-CD2 4.25Å; K129-L131 HydrophobicContact CG-CD2 4.38Å; K129-L131 PolarHBondContact O-N 2.61Å; L131-C138 HydrophobicContact CD1-CB 3.69Å |
| 132 | S | 93.2 | Very high | 94.7 | Very high | 121 Ų | 121 | 52.6 Ų | 52.6 | 85% | 0.846 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -76.4 | -43.2 | 174.1 | 46.4 | 0 | 0 | 0 | 0 | 111.8 | K151 | S132-K151 PolarHBondContact O-NZ 3.18Š|
| 133 | D | 91.8 | Very high | 94.7 | Very high | 90 Ų | 90 | 52.2 Ų | 52.2 | 48% | 0.481 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -138.9 | -175.9 | -179.4 | -149.3 | 5.6 | 0 | 0 | 0 | 112.6 | L107 K151 | L107-D133 WeakPolarHBondContact CD1-O 3.48Å; D133-K151 WeakPolarHBondContact OD1-CE 3.31Å; D133-K151 IonicContact OD1-NZ 2.71Å; D133-K151 PolarHBondContact OD1-NZ 2.79Å |
| 134 | W | 91.1 | Very high | 94.7 | Very high | 46 Ų | 46 | 56.6 Ų | 56.6 | 17% | 0.174 | 30% | 0.298 | C | S | . | . | trans | -58.9 | 138.6 | 178.9 | -174.1 | -96.4 | 0 | 0 | 0 | 112.8 | L107 C138 C154 A155 S158 I160 L237 | L107-W134 HydrophobicContact CD2-CB 4.5Å; L107-W134 HydrophobicContact CD2-CE3 3.65Å; L107-W134 HydrophobicContact CD2-CZ3 4.27Å; W134-C138 HydrophobicContact CH2-CB 4.39Å; W134-C138 HydrophobicContact CZ3-CB 4.48Å; W134-C154 HydrophobicContact CD2-CB 3.45Å; W134-C154 VanDerWaalsContact CD2-CB 3.45Å; W134-C154 HydrophobicContact CE3-CB 3.49Å; W134-C154 VanDerWaalsContact CE3-CB 3.49Å; W134-C154 HydrophobicContact CG-CB 4.2Å; W134-C154 HydrophobicContact CH2-CB 3.67Å; W134-C154 WeakPolarHBondContact CH2-O 3.11Å; W134-C154 HydrophobicContact CZ2-CB 3.65Å; W134-C154 HydrophobicContact CZ3-CB 3.59Å; W134-A155 HydrophobicContact CH2-CB 4.37Å; W134-A155 HydrophobicContact CZ3-CB 4.19Å; W134-S158 WeakPolarHBondContact CZ2-OG 3.21Å; W134-I160 HydrophobicContact CH2-CD1 3.85Å; W134-I160 HydrophobicContact CZ2-CD1 4.41Å; W134-L237 HydrophobicContact CZ2-CD1 4.27Å | ||
| 135 | S | 92.9 | Very high | 94.6 | Very high | 36 Ų | 36 | 52.7 Ų | 52.7 | 25% | 0.252 | 28% | 0.278 | S | S | . | . | trans | -151.3 | 149.9 | 172.9 | 176.2 | 0 | 0 | 0 | 0 | 109.2 | E137 C138 | S135-E137 PolarHBondContact O-N 3Å; S135-E137 WeakPolarHBondContact OG-CG 3.45Å; S135-E137 PolarHBondContact OG-N 3.04Å; S135-C138 WeakPolarHBondContact O-CB 3.45Å; S135-C138 PolarHBondContact O-N 3.36Å; S135-C138 VanDerWaalsContact O-N 3.08Å | ||
| 136 | N | 90.8 | Very high | 94.6 | Very high | 112 Ų | 112 | 48 Ų | 48 | 60% | 0.599 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -16.9 | 172 | -57.8 | -19 | 0 | 0 | 0 | 112.3 | C138 | N136-C138 VanDerWaalsContact C-N 3.26Š|
| 137 | E | 93.9 | Very high | 94.5 | Very high | 93 Ų | 93 | 50.1 Ų | 50.1 | 44% | 0.435 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -19.4 | 172.9 | -61.1 | 178.4 | 149.8 | 0 | 0 | 113.5 | N105 K129 S135 | N105-E137 WeakPolarHBondContact CB-O 3.35Å; N105-E137 PolarHBondContact ND2-O 3.37Å; K129-E137 IonicContact NZ-OE1 2.67Å; K129-E137 PolarHBondContact NZ-OE1 3.25Å; K129-E137 IonicContact NZ-OE2 2.67Å; K129-E137 PolarHBondContact NZ-OE2 3.38Å; S135-E137 PolarHBondContact O-N 3Å; S135-E137 WeakPolarHBondContact OG-CG 3.45Å; S135-E137 PolarHBondContact OG-N 3.04Å |
| 138 | C | 96.6 | Very high | 94.4 | Very high | 5 Ų | 5 | 44 Ų | 44 | 3% | 0.034 | 24% | 0.238 | C | C | . | . | trans | -57 | 140 | -178.8 | -173.6 | 0 | 0 | 0 | 0 | 110 | L131 W134 S135 N136 I160 | L131-C138 HydrophobicContact CD1-CB 3.69Å; W134-C138 HydrophobicContact CH2-CB 4.39Å; W134-C138 HydrophobicContact CZ3-CB 4.48Å; S135-C138 WeakPolarHBondContact O-CB 3.45Å; S135-C138 PolarHBondContact O-N 3.36Å; S135-C138 VanDerWaalsContact O-N 3.08Å; N136-C138 VanDerWaalsContact C-N 3.26Å; C138-I160 HydrophobicContact CB-CD1 4.21Å; C138-I160 WeakPolarHBondContact O-CD1 2.88Å | ||
| 139 | N | 95.8 | Very high | 94.3 | Very high | 55 Ų | 55 | 44.9 Ų | 44.9 | 29% | 0.294 | 24% | 0.243 | S | C | . | . | trans | -140.8 | -1 | 174.9 | 55 | 44 | 0 | 0 | 0 | 114.7 | E103 N105 | E103-N139 PolarHBondContact O-ND2 3.42Å; N105-N139 PolarHBondContact N-OD1 2.98Å; N105-N139 PolarHBondContact O-N 3.14Å; N105-N139 PolarHBondContact O-OD1 3.44Å | ||
| 140 | I | 97.4 | Very high | 94 | Very high | 13 Ų | 13 | 42 Ų | 42 | 7% | 0.067 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 126.9 | 166.3 | -49.9 | -177.3 | 0 | 0 | 0 | 110.1 | I104 N105 I106 L107 V142 V163 Y167 | I104-I140 HydrophobicContact CG2-CD1 3.95Å; N105-I140 PolarHBondContact O-N 2.91Å; I106-I140 WeakPolarHBondContact CA-O 3.45Å; I106-I140 HydrophobicContact CG1-CB 4.41Å; L107-I140 PolarHBondContact N-O 3.11Å; I140-V142 HydrophobicContact CG2-CG2 3.88Å; I140-V163 HydrophobicContact CG2-CG2 3.55Å; I140-Y167 HydrophobicContact CD1-CD1 4.46Å; I140-Y167 HydrophobicContact CD1-CE1 3.64Å |
| 141 | L | 98.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 123.8 | 168.1 | -171 | 76.4 | 0 | 0 | 0 | 110.1 | L107 M143 K151 V152 A155 P161 I162 V163 | L107-L141 HydrophobicContact CB-CD1 4.04Å; L107-L141 HydrophobicContact CD2-CD1 4.07Å; L107-L141 HydrophobicContact CG-CD1 4.02Å; L141-M143 HydrophobicContact CD2-SD 4.27Å; L141-K151 HydrophobicContact CD1-CB 4.02Å; L141-V152 HydrophobicContact CD2-CB 4.4Å; L141-V152 HydrophobicContact CD2-CG2 3.78Å; L141-A155 HydrophobicContact CB-CB 4.05Å; L141-A155 HydrophobicContact CD2-CB 3.88Å; L141-A155 HydrophobicContact CG-CB 4.47Å; L141-P161 PolarHBondContact N-O 2.93Å; L141-I162 HydrophobicContact CB-CG1 4.33Å; L141-I162 HydrophobicContact CD2-CD1 4.29Å; L141-I162 HydrophobicContact CD2-CG1 4.08Å; L141-I162 HydrophobicContact CD2-CG2 4.27Å; L141-I162 CarbonylContact O-C 3.5Å; L141-I162 WeakPolarHBondContact O-CA 3.48Å; L141-V163 PolarHBondContact O-N 3.02Å |
| 142 | V | 98.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 125.8 | -177.4 | -177.3 | 0 | 0 | 0 | 0 | 110.7 | I106 L107 F108 S109 M111 I140 V163 P165 L168 | I106-V142 HydrophobicContact CG2-CB 4.31Å; I106-V142 HydrophobicContact CG2-CG2 3.7Å; L107-V142 PolarHBondContact O-N 3.28Å; F108-V142 WeakPolarHBondContact CA-O 3.22Å; F108-V142 HydrophobicContact CD1-CB 3.74Å; F108-V142 HydrophobicContact CD1-CG1 3.96Å; F108-V142 HydrophobicContact CE1-CB 3.85Å; F108-V142 HydrophobicContact CE1-CG1 3.83Å; F108-V142 HydrophobicContact CE1-CG2 4.43Å; S109-V142 PolarHBondContact N-O 3.49Å; M111-V142 HydrophobicContact SD-CG1 4.11Å; I140-V142 HydrophobicContact CG2-CG2 3.88Å; V142-V163 WeakPolarHBondContact CA-O 3.44Å; V142-V163 HydrophobicContact CG2-CG2 3.83Å; V142-P165 HydrophobicContact CG1-CG 4.34Å; V142-L168 HydrophobicContact CG1-CD1 4.28Å; V142-L168 HydrophobicContact CG2-CD1 4.22Å; V142-L168 HydrophobicContact CG2-CD2 4.3Å; V142-L168 HydrophobicContact CG2-CG 4.38Å |
| 143 | M | 97 | Very high | 93.8 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -152.4 | 148.7 | 177.5 | 67.1 | -162.1 | -51.6 | 0 | 0 | 112.9 | S109 L141 S145 L146 V152 I162 V163 T164 P190 | S109-M143 WeakPolarHBondContact O-CB 3.46Å; L141-M143 HydrophobicContact CD2-SD 4.27Å; M143-S145 WeakPolarHBondContact CE-O 3.19Å; M143-L146 HydrophobicContact SD-CG 4.46Å; M143-V152 HydrophobicContact CE-CG2 3.71Å; M143-V152 HydrophobicContact SD-CG2 3.53Å; M143-V152 VanDerWaalsContact SD-CG2 3.53Å; M143-I162 HydrophobicContact CG-CG2 3.94Å; M143-I162 HydrophobicContact SD-CG2 3.59Å; M143-I162 VanDerWaalsContact SD-CG2 3.59Å; M143-V163 PolarHBondContact N-O 2.83Å; M143-T164 WeakPolarHBondContact O-CA 3.21Å; M143-P190 HydrophobicContact CG-CB 4.33Å; M143-P190 HydrophobicContact CG-CG 3.84Å; M143-P190 WeakPolarHBondContact O-CG 3.38Å | ||
| 144 | Q | 95.3 | Very high | 94 | Very high | 92 Ų | 92 | 31.2 Ų | 31.2 | 43% | 0.43 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -80.4 | -22.4 | -174.6 | -172.9 | 174.9 | 0.2 | 0 | 0 | 113.8 | M111 T115 | M111-Q144 HydrophobicContact CG-CB 4.35Å; T115-Q144 PolarHBondContact OG1-OE1 2.95Å; T115-Q144 VanDerWaalsContact OG1-OE1 3.07Å |
| 145 | S | 93.7 | Very high | 94.3 | Very high | 14 Ų | 14 | 29 Ų | 29 | 10% | 0.098 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -158.1 | 144.3 | 175.1 | -56 | 0 | 0 | 0 | 0 | 108.2 | M143 I147 I191 K193 | M143-S145 WeakPolarHBondContact CE-O 3.19Å; S145-I147 PolarHBondContact O-N 3.48Å; S145-I191 CarbonylContact C-O 3.13Å; S145-K193 VanDerWaalsContact OG-CE 3.32Å; S145-K193 WeakPolarHBondContact OG-CE 3.34Å; S145-K193 PolarHBondContact OG-NZ 2.89Å |
| 146 | L | 91.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | B | Isolated β-bridge | trans | -82.5 | 117.3 | -171.3 | -155.3 | 159.1 | 0 | 0 | 0 | 110.8 | M143 L189 P190 I191 I192 K193 F205 | M143-L146 HydrophobicContact SD-CG 4.46Å; L146-L189 HydrophobicContact CD1-CD1 4.28Å; L146-P190 HydrophobicContact CB-CB 4.34Å; L146-I191 PolarHBondContact N-O 2.87Å; L146-I192 HydrophobicContact CB-CG1 4.19Å; L146-K193 PolarHBondContact O-N 3.1Å; L146-F205 HydrophobicContact CD1-CB 3.63Å; L146-F205 HydrophobicContact CD1-CD1 3.62Å; L146-F205 HydrophobicContact CD1-CD2 3.87Å; L146-F205 HydrophobicContact CD1-CE1 4.28Å; L146-F205 HydrophobicContact CD1-CE2 4.48Å; L146-F205 HydrophobicContact CD1-CG 3.39Å; L146-F205 HydrophobicContact CD2-CD1 3.65Å; L146-F205 HydrophobicContact CD2-CD2 4.23Å; L146-F205 HydrophobicContact CD2-CE1 3.43Å; L146-F205 VanDerWaalsContact CD2-CE1 3.43Å; L146-F205 HydrophobicContact CD2-CE2 4.02Å; L146-F205 HydrophobicContact CD2-CG 4.06Å; L146-F205 HydrophobicContact CD2-CZ 3.63Å; L146-F205 HydrophobicContact CG-CD1 4.22Å; L146-F205 HydrophobicContact CG-CE1 4.46Å; L146-F205 HydrophobicContact CG-CG 4.37Å |
| 147 | I | 90.7 | Very high | 94.8 | Very high | 54 Ų | 54 | 22 Ų | 22 | 28% | 0.277 | 12% | 0.116 | S | C | . | . | trans | -133.7 | 136.3 | 174.1 | -62.9 | 176.1 | 0 | 0 | 0 | 105.4 | S145 T149 K193 E194 | S145-I147 PolarHBondContact O-N 3.48Å; I147-T149 PolarHBondContact O-N 3.31Å; I147-K193 HydrophobicContact CG1-CB 4.17Å; I147-E194 WeakPolarHBondContact CG2-OE2 3.43Å | ||
| 148 | V | 89.9 | Confident | 94.9 | Very high | 36 Ų | 36 | 18.4 Ų | 18.4 | 22% | 0.218 | 10% | 0.101 | C | C | . | . | trans | -78.3 | 88.9 | -169.6 | -175.9 | 0 | 0 | 0 | 0 | 110.4 | I153 E194 L197 F205 | V148-I153 HydrophobicContact CG1-CD1 3.57Å; V148-I153 HydrophobicContact CG1-CG1 4.09Å; V148-E194 HydrophobicContact CG2-CB 4.43Å; V148-E194 HydrophobicContact CG2-CG 3.98Å; V148-E194 PolarHBondContact N-OE2 3.3Å; V148-L197 HydrophobicContact CG2-CD1 4.01Å; V148-F205 HydrophobicContact CG2-CE1 4.25Å; V148-F205 HydrophobicContact CG2-CZ 4.09Å | ||
| 149 | T | 91.5 | Very high | 94.9 | Very high | 26 Ų | 26 | 18.9 Ų | 18.9 | 16% | 0.16 | 10% | 0.104 | C | C | . | . | trans | -97 | 163.6 | 172.7 | 67.1 | 0 | 0 | 0 | 0 | 111.6 | S109 S110 I147 K151 V152 I153 | S109-T149 PolarHBondContact OG-OG1 2.95Å; S110-T149 VanDerWaalsContact OG-CG2 3.29Å; S110-T149 WeakPolarHBondContact OG-CG2 3.25Å; I147-T149 PolarHBondContact O-N 3.31Å; T149-K151 PolarHBondContact O-N 3.22Å; T149-K151 PolarHBondContact OG1-N 2.67Å; T149-V152 WeakPolarHBondContact O-CA 3.5Å; T149-V152 WeakPolarHBondContact O-CB 3.28Å; T149-V152 PolarHBondContact O-N 2.97Å; T149-V152 PolarHBondContact OG1-N 2.67Å; T149-I153 PolarHBondContact O-N 2.9Å | ||
| 150 | S | 90.3 | Very high | 94.9 | Very high | 29 Ų | 29 | 17 Ų | 17 | 20% | 0.203 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -50.8 | -36.9 | 168.4 | 34 | 0 | 0 | 0 | 0 | 112.9 | V152 I153 C154 | S150-V152 PolarHBondContact O-N 2.73Å; S150-I153 PolarHBondContact O-N 2.96Å; S150-C154 PolarHBondContact O-N 3.08Å; S150-C154 PolarHBondContact O-SG 3.2Å |
| 151 | K | 93.8 | Very high | 94.9 | Very high | 27 Ų | 27 | 17.6 Ų | 17.6 | 12% | 0.117 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -65.1 | -35.5 | 175.6 | -68.2 | -175.9 | 171.1 | -176.8 | 0 | 112.9 | L107 S132 D133 L141 T149 A155 | L107-K151 HydrophobicContact CD1-CD 4.32Å; L107-K151 HydrophobicContact CD2-CB 4.39Å; L107-K151 HydrophobicContact CD2-CD 3.82Å; L107-K151 HydrophobicContact CD2-CG 4.03Å; L107-K151 HydrophobicContact CG-CD 4.05Å; S132-K151 PolarHBondContact O-NZ 3.18Å; D133-K151 WeakPolarHBondContact OD1-CE 3.31Å; D133-K151 IonicContact OD1-NZ 2.71Å; D133-K151 PolarHBondContact OD1-NZ 2.79Å; L141-K151 HydrophobicContact CD1-CB 4.02Å; T149-K151 PolarHBondContact O-N 3.22Å; T149-K151 PolarHBondContact OG1-N 2.67Å; K151-A155 WeakPolarHBondContact O-CB 3.39Å; K151-A155 PolarHBondContact O-N 2.86Å; K151-A155 VanDerWaalsContact O-N 3.14Å |
| 152 | V | 95.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -66.8 | -47.3 | 170.1 | 166.8 | 0 | 0 | 0 | 0 | 110.7 | L141 M143 T149 S150 C154 A155 L156 I162 F205 | L141-V152 HydrophobicContact CD2-CB 4.4Å; L141-V152 HydrophobicContact CD2-CG2 3.78Å; M143-V152 HydrophobicContact CE-CG2 3.71Å; M143-V152 HydrophobicContact SD-CG2 3.53Å; M143-V152 VanDerWaalsContact SD-CG2 3.53Å; T149-V152 WeakPolarHBondContact O-CA 3.5Å; T149-V152 WeakPolarHBondContact O-CB 3.28Å; T149-V152 PolarHBondContact O-N 2.97Å; T149-V152 PolarHBondContact OG1-N 2.67Å; S150-V152 PolarHBondContact O-N 2.73Å; V152-C154 PolarHBondContact O-N 2.82Å; V152-A155 PolarHBondContact O-N 3.01Å; V152-A155 VanDerWaalsContact O-N 3.17Å; V152-L156 HydrophobicContact CG1-CD1 3.99Å; V152-L156 HydrophobicContact CG1-CG 4.28Å; V152-L156 WeakPolarHBondContact O-CG 3.48Å; V152-L156 PolarHBondContact O-N 2.84Å; V152-I162 HydrophobicContact CB-CD1 4.45Å; V152-I162 HydrophobicContact CG1-CD1 3.86Å; V152-I162 HydrophobicContact CG2-CD1 4.37Å; V152-F205 HydrophobicContact CG1-CD1 4.12Å; V152-F205 HydrophobicContact CG1-CE1 3.99Å |
| 153 | I | 95.3 | Very high | 94.9 | Very high | 10 Ų | 10 | 17.9 Ų | 17.9 | 5% | 0.051 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.2 | -47.2 | 179.8 | -63.3 | -49.5 | 0 | 0 | 0 | 111.8 | V148 T149 S150 A155 L156 L157 I234 V320 | V148-I153 HydrophobicContact CG1-CD1 3.57Å; V148-I153 HydrophobicContact CG1-CG1 4.09Å; T149-I153 PolarHBondContact O-N 2.9Å; S150-I153 PolarHBondContact O-N 2.96Å; I153-A155 VanDerWaalsContact C-N 3.34Å; I153-A155 PolarHBondContact O-N 2.78Å; I153-L156 PolarHBondContact O-N 3.07Å; I153-L157 HydrophobicContact CG2-CD1 3.98Å; I153-L157 WeakPolarHBondContact O-CB 3.47Å; I153-L157 WeakPolarHBondContact O-CG 3.15Å; I153-L157 PolarHBondContact O-N 3.04Å; I153-I234 HydrophobicContact CG2-CD1 4.38Å; I153-I234 HydrophobicContact CG2-CG1 4.35Å; I153-I234 HydrophobicContact CG2-CG2 3.72Å; I153-V320 HydrophobicContact CD1-CB 4.24Å; I153-V320 HydrophobicContact CD1-CG1 4.24Å; I153-V320 HydrophobicContact CG2-CB 4.33Å; I153-V320 HydrophobicContact CG2-CG1 4.27Å; I153-V320 HydrophobicContact CG2-CG2 4.04Å |
| 154 | C | 95.3 | Very high | 95 | Very high | 8 Ų | 8 | 18.9 Ų | 18.9 | 5% | 0.054 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.8 | -37.3 | 176.3 | -62.9 | 0 | 0 | 0 | 0 | 112.5 | W134 S150 V152 S158 L237 | W134-C154 HydrophobicContact CD2-CB 3.45Å; W134-C154 VanDerWaalsContact CD2-CB 3.45Å; W134-C154 HydrophobicContact CE3-CB 3.49Å; W134-C154 VanDerWaalsContact CE3-CB 3.49Å; W134-C154 HydrophobicContact CG-CB 4.2Å; W134-C154 HydrophobicContact CH2-CB 3.67Å; W134-C154 WeakPolarHBondContact CH2-O 3.11Å; W134-C154 HydrophobicContact CZ2-CB 3.65Å; W134-C154 HydrophobicContact CZ3-CB 3.59Å; S150-C154 PolarHBondContact O-N 3.08Å; S150-C154 PolarHBondContact O-SG 3.2Å; V152-C154 PolarHBondContact O-N 2.82Å; C154-S158 VanDerWaalsContact O-CB 3.22Å; C154-S158 WeakPolarHBondContact O-CB 3.45Å; C154-S158 PolarHBondContact O-N 2.68Å; C154-S158 PolarHBondContact O-OG 2.77Å; C154-L237 HydrophobicContact CB-CD1 3.76Å |
| 155 | A | 96.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64.2 | -45.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | W134 L141 K151 V152 I153 S158 C159 I160 I162 | W134-A155 HydrophobicContact CH2-CB 4.37Å; W134-A155 HydrophobicContact CZ3-CB 4.19Å; L141-A155 HydrophobicContact CB-CB 4.05Å; L141-A155 HydrophobicContact CD2-CB 3.88Å; L141-A155 HydrophobicContact CG-CB 4.47Å; K151-A155 WeakPolarHBondContact O-CB 3.39Å; K151-A155 PolarHBondContact O-N 2.86Å; K151-A155 VanDerWaalsContact O-N 3.14Å; V152-A155 PolarHBondContact O-N 3.01Å; V152-A155 VanDerWaalsContact O-N 3.17Å; I153-A155 VanDerWaalsContact C-N 3.34Å; I153-A155 PolarHBondContact O-N 2.78Å; A155-S158 CarbonylContact O-C 3.6Å; A155-S158 PolarHBondContact O-N 2.94Å; A155-C159 PolarHBondContact O-N 2.8Å; A155-I160 HydrophobicContact CB-CB 4.2Å; A155-I160 HydrophobicContact CB-CG2 4.23Å; A155-I160 PolarHBondContact O-N 3.33Å; A155-I162 HydrophobicContact CB-CD1 4.49Å; A155-I162 HydrophobicContact CB-CG1 4.29Å |
| 156 | L | 97.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63 | -44.4 | 178.4 | -67.4 | 176.8 | 0 | 0 | 0 | 112.5 | V152 I153 S158 C159 I162 F205 R211 V320 V321 | V152-L156 HydrophobicContact CG1-CD1 3.99Å; V152-L156 HydrophobicContact CG1-CG 4.28Å; V152-L156 WeakPolarHBondContact O-CG 3.48Å; V152-L156 PolarHBondContact O-N 2.84Å; I153-L156 PolarHBondContact O-N 3.07Å; L156-S158 VanDerWaalsContact C-N 3.31Å; L156-C159 PolarHBondContact O-N 3Å; L156-I162 HydrophobicContact CD2-CD1 3.84Å; L156-I162 HydrophobicContact CG-CD1 4.16Å; L156-F205 HydrophobicContact CD1-CD1 3.78Å; L156-F205 HydrophobicContact CD1-CE1 3.92Å; L156-F205 HydrophobicContact CD2-CB 4.35Å; L156-F205 HydrophobicContact CD2-CD1 4.09Å; L156-F205 WeakPolarHBondContact CD2-O 3.37Å; L156-F205 HydrophobicContact CG-CD1 4.42Å; L156-R211 WeakPolarHBondContact O-CD 3.41Å; L156-R211 PolarHBondContact O-NH1 3.42Å; L156-V320 HydrophobicContact CB-CG1 3.58Å; L156-V320 HydrophobicContact CD1-CG1 3.95Å; L156-V320 HydrophobicContact CG-CG1 4.44Å; L156-V321 HydrophobicContact CD1-CG2 4.2Å |
| 157 | L | 97.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.5 | -37.2 | 174.8 | -74.6 | 168.9 | 0 | 0 | 0 | 112.4 | I153 C159 R211 R212 L214 F215 I234 L237 V320 | I153-L157 HydrophobicContact CG2-CD1 3.98Å; I153-L157 WeakPolarHBondContact O-CB 3.47Å; I153-L157 WeakPolarHBondContact O-CG 3.15Å; I153-L157 PolarHBondContact O-N 3.04Å; L157-C159 VanDerWaalsContact C-N 3.25Å; L157-C159 PolarHBondContact O-N 3.36Å; L157-R211 HydrophobicContact CD2-CB 4.36Å; L157-R211 VanDerWaalsContact CD2-O 3.25Å; L157-R211 WeakPolarHBondContact CD2-O 3.12Å; L157-R212 WeakPolarHBondContact O-CG 3.36Å; L157-L214 HydrophobicContact CD2-CD2 4.36Å; L157-F215 HydrophobicContact CD2-CE2 4.36Å; L157-I234 HydrophobicContact CD1-CG2 4.01Å; L157-I234 WeakPolarHBondContact CD1-O 3.3Å; L157-L237 HydrophobicContact CB-CB 3.92Å; L157-L237 HydrophobicContact CD1-CB 3.93Å; L157-V320 HydrophobicContact CD1-CG2 4.08Å; L157-V320 HydrophobicContact CD2-CG1 4.31Å; L157-V320 HydrophobicContact CD2-CG2 3.64Å; L157-V320 HydrophobicContact CG-CG1 3.99Å; L157-V320 HydrophobicContact CG-CG2 3.81Å |
| 158 | S | 96.3 | Very high | 95.9 | Very high | 17 Ų | 17 | 16.5 Ų | 16.5 | 12% | 0.119 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -2.1 | 177.3 | -52.8 | 0 | 0 | 0 | 0 | 113.5 | W134 C154 A155 L156 I160 R212 | W134-S158 WeakPolarHBondContact CZ2-OG 3.21Å; C154-S158 VanDerWaalsContact O-CB 3.22Å; C154-S158 WeakPolarHBondContact O-CB 3.45Å; C154-S158 PolarHBondContact O-N 2.68Å; C154-S158 PolarHBondContact O-OG 2.77Å; A155-S158 CarbonylContact O-C 3.6Å; A155-S158 PolarHBondContact O-N 2.94Å; L156-S158 VanDerWaalsContact C-N 3.31Å; S158-I160 PolarHBondContact O-N 3.01Å; S158-R212 VanDerWaalsContact C-NH1 3.34Å; S158-R212 PolarHBondContact O-NH1 3.46Å; S158-R212 PolarHBondContact O-NH2 3.11Å |
| 159 | C | 96.7 | Very high | 96.2 | Very high | 15 Ų | 15 | 18.2 Ų | 18.2 | 10% | 0.101 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 36 | -175.9 | -38 | 0 | 0 | 0 | 0 | 113.3 | A155 L156 L157 P207 N208 D209 R212 | A155-C159 PolarHBondContact O-N 2.8Å; L156-C159 PolarHBondContact O-N 3Å; L157-C159 VanDerWaalsContact C-N 3.25Å; L157-C159 PolarHBondContact O-N 3.36Å; C159-P207 HydrophobicContact CB-CB 4.08Å; C159-P207 WeakPolarHBondContact O-CB 3.37Å; C159-N208 PolarHBondContact SG-O 2.98Å; C159-D209 VanDerWaalsContact SG-CA 3.58Å; C159-R212 PolarHBondContact SG-NE 3.44Å |
| 160 | I | 96.6 | Very high | 96.4 | Very high | 15 Ų | 15 | 19.9 Ų | 19.9 | 8% | 0.077 | 11% | 0.108 | C | C | . | . | trans | -86.9 | 136.2 | 178.3 | -75.6 | 164.9 | 0 | 0 | 0 | 109.6 | W134 C138 A155 S158 | W134-I160 HydrophobicContact CH2-CD1 3.85Å; W134-I160 HydrophobicContact CZ2-CD1 4.41Å; C138-I160 HydrophobicContact CB-CD1 4.21Å; C138-I160 WeakPolarHBondContact O-CD1 2.88Å; A155-I160 HydrophobicContact CB-CB 4.2Å; A155-I160 HydrophobicContact CB-CG2 4.23Å; A155-I160 PolarHBondContact O-N 3.33Å; S158-I160 PolarHBondContact O-N 3.01Å | ||
| 161 | P | 97.4 | Very high | 96.6 | Very high | 26 Ų | 26 | 18.6 Ų | 18.6 | 17% | 0.169 | 10% | 0.099 | C | C | . | . | trans | -64.7 | 143.4 | 177.2 | 27 | -35.5 | 0 | 0 | 0 | 112.4 | L141 V163 P185 | L141-P161 PolarHBondContact N-O 2.93Å; P161-V163 HydrophobicContact CB-CG1 4.35Å; P161-P185 HydrophobicContact CB-CB 3.51Å; P161-P185 HydrophobicContact CB-CG 4.19Å; P161-P185 HydrophobicContact CG-CB 4.11Å; P161-P185 HydrophobicContact CG-CG 4.29Å | ||
| 162 | I | 98.2 | Very high | 96.7 | Very high | 5 Ų | 5 | 20.9 Ų | 20.9 | 3% | 0.026 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 117.9 | 174.8 | -54.5 | 179.1 | 0 | 0 | 0 | 107.4 | L141 M143 V152 A155 L156 P190 F205 | L141-I162 HydrophobicContact CB-CG1 4.33Å; L141-I162 HydrophobicContact CD2-CD1 4.29Å; L141-I162 HydrophobicContact CD2-CG1 4.08Å; L141-I162 HydrophobicContact CD2-CG2 4.27Å; L141-I162 CarbonylContact O-C 3.5Å; L141-I162 WeakPolarHBondContact O-CA 3.48Å; M143-I162 HydrophobicContact CG-CG2 3.94Å; M143-I162 HydrophobicContact SD-CG2 3.59Å; M143-I162 VanDerWaalsContact SD-CG2 3.59Å; V152-I162 HydrophobicContact CB-CD1 4.45Å; V152-I162 HydrophobicContact CG1-CD1 3.86Å; V152-I162 HydrophobicContact CG2-CD1 4.37Å; A155-I162 HydrophobicContact CB-CD1 4.49Å; A155-I162 HydrophobicContact CB-CG1 4.29Å; L156-I162 HydrophobicContact CD2-CD1 3.84Å; L156-I162 HydrophobicContact CG-CD1 4.16Å; I162-P190 HydrophobicContact CG2-CG 4.28Å; I162-P190 WeakPolarHBondContact O-CD 3.26Å; I162-F205 HydrophobicContact CD1-CD1 4.46Å |
| 163 | V | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 157.3 | -170.8 | -56.4 | 0 | 0 | 0 | 0 | 113.4 | I140 L141 V142 M143 P161 Y167 P185 F188 | I140-V163 HydrophobicContact CG2-CG2 3.55Å; L141-V163 PolarHBondContact O-N 3.02Å; V142-V163 WeakPolarHBondContact CA-O 3.44Å; V142-V163 HydrophobicContact CG2-CG2 3.83Å; M143-V163 PolarHBondContact N-O 2.83Å; P161-V163 HydrophobicContact CB-CG1 4.35Å; V163-Y167 HydrophobicContact CB-CG 4.18Å; V163-Y167 HydrophobicContact CG1-CD2 4.35Å; V163-Y167 HydrophobicContact CG1-CG 4.19Å; V163-Y167 HydrophobicContact CG2-CD1 4.01Å; V163-Y167 HydrophobicContact CG2-CG 4.04Å; V163-P185 HydrophobicContact CG1-CB 3.79Å; V163-F188 CarbonylContact C-O 3.54Å; V163-F188 VanDerWaalsContact CA-O 3.27Å; V163-F188 WeakPolarHBondContact CA-O 3.32Å; V163-F188 HydrophobicContact CB-CB 4.04Å; V163-F188 HydrophobicContact CG1-CB 4.29Å |
| 164 | T | 98 | Very high | 96.5 | Very high | 22 Ų | 22 | 27.4 Ų | 27.4 | 14% | 0.135 | 14% | 0.138 | C | C | . | . | trans | -72.1 | 163.2 | 167.6 | 65.3 | 0 | 0 | 0 | 0 | 111.2 | M143 D166 Y167 F188 P190 | M143-T164 WeakPolarHBondContact O-CA 3.21Å; T164-D166 WeakPolarHBondContact CB-OD2 3.13Å; T164-D166 PolarHBondContact O-N 2.89Å; T164-D166 VanDerWaalsContact O-N 3.11Å; T164-D166 PolarHBondContact OG1-N 3.11Å; T164-D166 PolarHBondContact OG1-OD2 3.02Å; T164-Y167 PolarHBondContact O-N 3.01Å; T164-F188 WeakPolarHBondContact CG2-O 3.42Å; T164-F188 PolarHBondContact N-O 2.88Å; T164-P190 HydrophobicContact CG2-CB 4Å; T164-P190 HydrophobicContact CG2-CG 3.9Å | ||
| 165 | P | 97.5 | Very high | 96 | Very high | 16 Ų | 16 | 29 Ų | 29 | 10% | 0.104 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -28.4 | 168.7 | -34 | 41.3 | 0 | 0 | 0 | 115.3 | M111 T115 S119 V142 Y167 L168 | M111-P165 HydrophobicContact CE-CG 3.61Å; T115-P165 HydrophobicContact CG2-CG 4.01Å; S119-P165 WeakPolarHBondContact OG-CB 3.32Å; V142-P165 HydrophobicContact CG1-CG 4.34Å; P165-Y167 VanDerWaalsContact C-N 3.29Å; P165-Y167 PolarHBondContact O-N 2.6Å; P165-L168 WeakPolarHBondContact O-CB 3.02Å; P165-L168 PolarHBondContact O-N 3.33Å |
| 166 | D | 97.6 | Very high | 95.4 | Very high | 89 Ų | 89 | 32.1 Ų | 32.1 | 48% | 0.476 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -68.3 | -29.4 | -172.2 | -40.2 | -70.6 | 0 | 0 | 0 | 111.8 | T164 L168 E169 E170 F188 | T164-D166 WeakPolarHBondContact CB-OD2 3.13Å; T164-D166 PolarHBondContact O-N 2.89Å; T164-D166 VanDerWaalsContact O-N 3.11Å; T164-D166 PolarHBondContact OG1-N 3.11Å; T164-D166 PolarHBondContact OG1-OD2 3.02Å; D166-L168 PolarHBondContact O-N 3.14Å; D166-E169 WeakPolarHBondContact O-CA 3.1Å; D166-E169 PolarHBondContact O-N 3.15Å; D166-E170 PolarHBondContact O-N 3.33Å; D166-F188 HydrophobicContact CB-CD1 4.25Å |
| 167 | Y | 97.7 | Very high | 94.9 | Very high | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -55.6 | -37.6 | 170.2 | 177 | -89.5 | 0 | 0 | 0 | 111.9 | I140 V163 T164 P165 E169 E170 I171 K182 P183 P185 F188 | I140-Y167 HydrophobicContact CD1-CD1 4.46Å; I140-Y167 HydrophobicContact CD1-CE1 3.64Å; V163-Y167 HydrophobicContact CB-CG 4.18Å; V163-Y167 HydrophobicContact CG1-CD2 4.35Å; V163-Y167 HydrophobicContact CG1-CG 4.19Å; V163-Y167 HydrophobicContact CG2-CD1 4.01Å; V163-Y167 HydrophobicContact CG2-CG 4.04Å; T164-Y167 PolarHBondContact O-N 3.01Å; P165-Y167 VanDerWaalsContact C-N 3.29Å; P165-Y167 PolarHBondContact O-N 2.6Å; Y167-E169 VanDerWaalsContact C-N 3.34Å; Y167-E170 PolarHBondContact O-N 2.94Å; Y167-I171 HydrophobicContact CD1-CG1 4.07Å; Y167-I171 HydrophobicContact CE1-CD1 4.18Å; Y167-I171 HydrophobicContact CE1-CG1 3.57Å; Y167-I171 HydrophobicContact CE2-CG1 4.43Å; Y167-I171 VanDerWaalsContact O-CG1 3.28Å; Y167-I171 WeakPolarHBondContact O-CG1 3.34Å; Y167-I171 PolarHBondContact O-N 3.29Å; Y167-K182 VanDerWaalsContact OH-CE 3.25Å; Y167-K182 WeakPolarHBondContact OH-CE 3.41Å; Y167-P183 HydrophobicContact CD2-CB 4.46Å; Y167-P183 HydrophobicContact CD2-CG 4.27Å; Y167-P183 HydrophobicContact CE2-CB 4.33Å; Y167-P183 HydrophobicContact CE2-CG 3.94Å; Y167-P185 HydrophobicContact CE2-CB 4.15Å; Y167-P185 HydrophobicContact CE2-CG 3.78Å; Y167-F188 HydrophobicContact CD2-CB 4.48Å; Y167-F188 AromaticContact CD2-CD2 3.68Å; Y167-F188 HydrophobicContact CD2-CD2 3.68Å; Y167-F188 HydrophobicContact CD2-CE2 4.13Å; Y167-F188 HydrophobicContact CD2-CG 4.04Å; Y167-F188 HydrophobicContact CG-CD2 4.43Å; Y167-F188 HydrophobicContact CG-CG 4.36Å |
| 168 | L | 96.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -70.9 | -31.6 | 177.5 | -54.7 | -178.9 | 0 | 0 | 0 | 112 | I106 F108 V122 I126 V142 P165 D166 K172 | I106-L168 HydrophobicContact CD1-CD1 4.18Å; I106-L168 HydrophobicContact CD1-CD2 3.51Å; I106-L168 HydrophobicContact CG1-CD2 4.42Å; F108-L168 HydrophobicContact CE1-CD1 4.25Å; F108-L168 HydrophobicContact CZ-CD1 4.46Å; V122-L168 HydrophobicContact CB-CB 4.47Å; V122-L168 HydrophobicContact CG1-CB 3.67Å; V122-L168 WeakPolarHBondContact CG1-O 3.29Å; I126-L168 HydrophobicContact CD1-CD2 4.15Å; V142-L168 HydrophobicContact CG1-CD1 4.28Å; V142-L168 HydrophobicContact CG2-CD1 4.22Å; V142-L168 HydrophobicContact CG2-CD2 4.3Å; V142-L168 HydrophobicContact CG2-CG 4.38Å; P165-L168 WeakPolarHBondContact O-CB 3.02Å; P165-L168 PolarHBondContact O-N 3.33Å; D166-L168 PolarHBondContact O-N 3.14Å; L168-K172 VanDerWaalsContact O-CB 3.31Å; L168-K172 WeakPolarHBondContact O-CB 3.4Å; L168-K172 PolarHBondContact O-N 2.83Å |
| 169 | E | 96.7 | Very high | 94.1 | Very high | 71 Ų | 71 | 41.7 Ų | 41.7 | 33% | 0.332 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -73.8 | -35 | 175.3 | -68 | -75.8 | -164.4 | 0 | 0 | 111.4 | V122 D166 Y167 K172 K173 | V122-E169 HydrophobicContact CG2-CG 4.34Å; V122-E169 WeakPolarHBondContact CG2-OE1 3.42Å; D166-E169 WeakPolarHBondContact O-CA 3.1Å; D166-E169 PolarHBondContact O-N 3.15Å; Y167-E169 VanDerWaalsContact C-N 3.34Å; E169-K172 PolarHBondContact O-N 3Å; E169-K172 IonicContact OE1-NZ 2.65Å; E169-K172 WeakPolarHBondContact OE2-CD 3.42Å; E169-K172 WeakPolarHBondContact OE2-CE 3.47Å; E169-K172 IonicContact OE2-NZ 2.67Å; E169-K172 PolarHBondContact OE2-NZ 3.31Å; E169-K173 WeakPolarHBondContact O-CG 3.27Å; E169-K173 PolarHBondContact O-N 3.42Å |
| 170 | E | 96.2 | Very high | 93.9 | Very high | 61 Ų | 61 | 41.8 Ų | 41.8 | 29% | 0.285 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.8 | -43.4 | 170 | -60.5 | -44.1 | 129.3 | 0 | 0 | 112.4 | D166 Y167 K172 K173 I174 P183 F188 | D166-E170 PolarHBondContact O-N 3.33Å; Y167-E170 PolarHBondContact O-N 2.94Å; E170-K172 PolarHBondContact O-N 3Å; E170-K173 PolarHBondContact O-N 3.4Å; E170-K173 VanDerWaalsContact O-N 3.14Å; E170-K173 IonicContact OE1-NZ 2.69Å; E170-K173 PolarHBondContact OE1-NZ 3.16Å; E170-K173 WeakPolarHBondContact OE2-CD 3.41Å; E170-K173 IonicContact OE2-NZ 3.67Å; E170-K173 PolarHBondContact OE2-NZ 2.97Å; E170-I174 PolarHBondContact O-N 3.32Å; E170-I174 VanDerWaalsContact O-N 3.11Å; E170-P183 HydrophobicContact CB-CB 4.36Å; E170-P183 HydrophobicContact CB-CG 4.12Å; E170-F188 HydrophobicContact CB-CZ 4.32Å; E170-F188 HydrophobicContact CG-CE1 3.64Å; E170-F188 HydrophobicContact CG-CZ 3.64Å |
| 171 | I | 95.1 | Very high | 93.8 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.4 | -37.3 | 173.2 | -68.4 | -69 | 0 | 0 | 0 | 111.4 | M1 I126 Y167 I174 Q175 K182 P183 | M1-I171 HydrophobicContact CE-CG2 3.75Å; I126-I171 HydrophobicContact CB-CG2 4.22Å; I126-I171 HydrophobicContact CD1-CB 4.39Å; I126-I171 HydrophobicContact CD1-CG2 3.75Å; I126-I171 HydrophobicContact CG2-CG2 4.03Å; Y167-I171 HydrophobicContact CD1-CG1 4.07Å; Y167-I171 HydrophobicContact CE1-CD1 4.18Å; Y167-I171 HydrophobicContact CE1-CG1 3.57Å; Y167-I171 HydrophobicContact CE2-CG1 4.43Å; Y167-I171 VanDerWaalsContact O-CG1 3.28Å; Y167-I171 WeakPolarHBondContact O-CG1 3.34Å; Y167-I171 PolarHBondContact O-N 3.29Å; I171-I174 HydrophobicContact CD1-CD1 4.14Å; I171-I174 VanDerWaalsContact O-CG1 3.23Å; I171-I174 WeakPolarHBondContact O-CG1 3.2Å; I171-Q175 PolarHBondContact O-N 2.95Å; I171-K182 HydrophobicContact CD1-CG 4.24Å; I171-P183 HydrophobicContact CD1-CG 3.71Å; I171-P183 HydrophobicContact CG1-CG 4.11Å |
| 172 | K | 94.8 | Very high | 93.6 | Very high | 75 Ų | 75 | 46.3 Ų | 46.3 | 33% | 0.326 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -69.1 | -37.1 | 174.4 | -178.9 | -176.8 | 130.9 | -149.8 | 0 | 113 | V122 L125 I126 L168 E169 E170 Q175 | V122-K172 HydrophobicContact CG1-CB 4.19Å; V122-K172 HydrophobicContact CG1-CD 3.95Å; L125-K172 HydrophobicContact CD1-CD 4.07Å; I126-K172 HydrophobicContact CG2-CB 3.69Å; I126-K172 HydrophobicContact CG2-CG 4.32Å; L168-K172 VanDerWaalsContact O-CB 3.31Å; L168-K172 WeakPolarHBondContact O-CB 3.4Å; L168-K172 PolarHBondContact O-N 2.83Å; E169-K172 PolarHBondContact O-N 3Å; E169-K172 IonicContact OE1-NZ 2.65Å; E169-K172 WeakPolarHBondContact OE2-CD 3.42Å; E169-K172 WeakPolarHBondContact OE2-CE 3.47Å; E169-K172 IonicContact OE2-NZ 2.67Å; E169-K172 PolarHBondContact OE2-NZ 3.31Å; E170-K172 PolarHBondContact O-N 3Å; K172-Q175 VanDerWaalsContact O-CB 3.32Å; K172-Q175 WeakPolarHBondContact O-CB 3.36Å; K172-Q175 PolarHBondContact O-N 3.14Å |
| 173 | K | 94 | Very high | 93.5 | Very high | 124 Ų | 124 | 47.1 Ų | 47.1 | 54% | 0.539 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.5 | -43.8 | 175.1 | -75.6 | 163.3 | 175.4 | 174.6 | 0 | 111.8 | E169 E170 Q175 | E169-K173 WeakPolarHBondContact O-CG 3.27Å; E169-K173 PolarHBondContact O-N 3.42Å; E170-K173 PolarHBondContact O-N 3.4Å; E170-K173 VanDerWaalsContact O-N 3.14Å; E170-K173 IonicContact OE1-NZ 2.69Å; E170-K173 PolarHBondContact OE1-NZ 3.16Å; E170-K173 WeakPolarHBondContact OE2-CD 3.41Å; E170-K173 IonicContact OE2-NZ 3.67Å; E170-K173 PolarHBondContact OE2-NZ 2.97Å; K173-Q175 PolarHBondContact O-N 3.17Å |
| 174 | I | 92 | Very high | 93.3 | Very high | 23 Ų | 23 | 50 Ų | 50 | 12% | 0.118 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -72.6 | -13.7 | -179 | 65.6 | 171.4 | 0 | 0 | 0 | 113.9 | V17 N19 E170 I171 G176 Y177 A180 | V17-I174 HydrophobicContact CB-CD1 3.99Å; V17-I174 HydrophobicContact CG1-CD1 4.5Å; V17-I174 HydrophobicContact CG2-CD1 3.65Å; N19-I174 PolarHBondContact ND2-O 3.47Å; E170-I174 PolarHBondContact O-N 3.32Å; E170-I174 VanDerWaalsContact O-N 3.11Å; I171-I174 HydrophobicContact CD1-CD1 4.14Å; I171-I174 VanDerWaalsContact O-CG1 3.23Å; I171-I174 WeakPolarHBondContact O-CG1 3.2Å; I174-G176 PolarHBondContact O-N 3.17Å; I174-Y177 PolarHBondContact O-N 2.71Å; I174-A180 HydrophobicContact CB-CB 3.75Å; I174-A180 HydrophobicContact CG2-CB 3.87Å |
| 175 | Q | 85.1 | Confident | 93.2 | Very high | 42 Ų | 42 | 50.4 Ų | 50.4 | 20% | 0.196 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -21.8 | 177.8 | -164.7 | 178 | 1.2 | 0 | 0 | 113.3 | Q20 L125 I171 K172 K173 Y177 | Q20-Q175 PolarHBondContact NE2-O 3.24Å; L125-Q175 PolarHBondContact O-NE2 3.17Å; L125-Q175 PolarHBondContact O-OE1 3.26Å; I171-Q175 PolarHBondContact O-N 2.95Å; K172-Q175 VanDerWaalsContact O-CB 3.32Å; K172-Q175 WeakPolarHBondContact O-CB 3.36Å; K172-Q175 PolarHBondContact O-N 3.14Å; K173-Q175 PolarHBondContact O-N 3.17Å; Q175-Y177 VanDerWaalsContact C-N 3.32Å; Q175-Y177 PolarHBondContact O-N 2.88Å |
| 176 | G | 83.6 | Confident | 93.1 | Very high | 65 Ų | 65 | 55.1 Ų | 55.1 | 67% | 0.67 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -1.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | I174 | I174-G176 PolarHBondContact O-N 3.17Š|
| 177 | Y | 88.2 | Confident | 93 | Very high | 148 Ų | 148 | 57.1 Ų | 57.1 | 58% | 0.58 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -114.3 | 144.7 | -179.4 | -56.9 | -96.4 | 0 | 0 | 0 | 110.4 | I174 Q175 F179 | I174-Y177 PolarHBondContact O-N 2.71Å; Q175-Y177 VanDerWaalsContact C-N 3.32Å; Q175-Y177 PolarHBondContact O-N 2.88Å; Y177-F179 PolarHBondContact O-N 3.25Å |
| 178 | T | 85.2 | Confident | 93 | Very high | 42 Ų | 42 | 58.6 Ų | 58.6 | 26% | 0.258 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -52.1 | -44.7 | 168.9 | -61 | 0 | 0 | 0 | 0 | 111.1 | I18 N19 P21 I24 | I18-T178 WeakPolarHBondContact CA-O 3.22Å; I18-T178 WeakPolarHBondContact CG2-O 3.39Å; N19-T178 PolarHBondContact N-O 2.98Å; N19-T178 VanDerWaalsContact N-O 3.16Å; P21-T178 PolarHBondContact O-OG1 3.08Å; I24-T178 HydrophobicContact CG1-CG2 4.44Å |
| 179 | F | 89.8 | Confident | 93.1 | Very high | 30 Ų | 30 | 60.5 Ų | 60.5 | 13% | 0.132 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 138.8 | -173.8 | -179 | -102.3 | 0 | 0 | 0 | 110.7 | F16 V17 I18 I24 D32 I33 Y177 | F16-F179 HydrophobicContact CB-CD2 4.09Å; F16-F179 HydrophobicContact CB-CE1 4.39Å; F16-F179 HydrophobicContact CB-CE2 3.27Å; F16-F179 HydrophobicContact CB-CZ 3.45Å; F16-F179 VanDerWaalsContact CB-CZ 3.45Å; F16-F179 AromaticContact CD1-CE1 3.78Å; F16-F179 HydrophobicContact CD1-CE1 3.78Å; F16-F179 HydrophobicContact CD1-CE2 4.14Å; F16-F179 AromaticContact CD1-CZ 3.36Å; F16-F179 HydrophobicContact CD1-CZ 3.36Å; F16-F179 HydrophobicContact CD2-CE2 4.29Å; F16-F179 AromaticContact CD2-CZ 3.89Å; F16-F179 HydrophobicContact CD2-CZ 3.89Å; F16-F179 HydrophobicContact CE1-CE1 4.3Å; F16-F179 HydrophobicContact CE1-CZ 4.02Å; F16-F179 HydrophobicContact CE2-CZ 4.48Å; F16-F179 HydrophobicContact CG-CE1 4.16Å; F16-F179 AromaticContact CG-CE2 3.67Å; F16-F179 HydrophobicContact CG-CE2 3.67Å; F16-F179 AromaticContact CG-CZ 3.28Å; F16-F179 HydrophobicContact CG-CZ 3.28Å; V17-F179 WeakPolarHBondContact O-CA 3.46Å; I18-F179 HydrophobicContact CG1-CD2 4.34Å; I24-F179 HydrophobicContact CD1-CB 4.04Å; I24-F179 HydrophobicContact CD1-CD2 3.47Å; I24-F179 VanDerWaalsContact CD1-CD2 3.47Å; I24-F179 HydrophobicContact CD1-CE2 4.22Å; I24-F179 HydrophobicContact CD1-CG 4.08Å; I24-F179 HydrophobicContact CG1-CB 3.8Å; I24-F179 HydrophobicContact CG1-CD2 3.8Å; I24-F179 HydrophobicContact CG1-CG 3.95Å; I24-F179 HydrophobicContact CG2-CD2 4.06Å; I24-F179 HydrophobicContact CG2-CE2 4.02Å; I24-F179 HydrophobicContact CG2-CG 4.4Å; I24-F179 HydrophobicContact CG2-CZ 4.37Å; D32-F179 HydrophobicContact CB-CD1 3.87Å; D32-F179 HydrophobicContact CB-CE1 3.86Å; I33-F179 HydrophobicContact CD1-CE2 3.95Å; I33-F179 HydrophobicContact CD1-CZ 3.62Å; I33-F179 HydrophobicContact CG1-CE1 4.03Å; I33-F179 HydrophobicContact CG1-CE2 4.3Å; I33-F179 HydrophobicContact CG1-CZ 3.48Å; I33-F179 VanDerWaalsContact CG1-CZ 3.48Å; Y177-F179 PolarHBondContact O-N 3.25Å |
| 180 | A | 93.3 | Very high | 93.1 | Very high | 16 Ų | 16 | 57.3 Ų | 57.3 | 13% | 0.132 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 153 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F16 V17 I174 K182 | F16-A180 CarbonylContact C-O 3.55Å; F16-A180 VanDerWaalsContact CA-O 3.31Å; F16-A180 WeakPolarHBondContact CA-O 3.22Å; V17-A180 PolarHBondContact N-O 2.86Å; V17-A180 PolarHBondContact O-N 3.34Å; V17-A180 VanDerWaalsContact O-N 3.11Å; I174-A180 HydrophobicContact CB-CB 3.75Å; I174-A180 HydrophobicContact CG2-CB 3.87Å; A180-K182 PolarHBondContact O-N 2.95Å |
| 181 | T | 93.6 | Very high | 93 | Very high | 86 Ų | 86 | 59.2 Ų | 59.2 | 53% | 0.528 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 133.3 | 167.5 | -51.1 | 0 | 0 | 0 | 0 | 110.1 | ||
| 182 | K | 94.5 | Very high | 92.9 | Very high | 50 Ų | 50 | 59.5 Ų | 59.5 | 22% | 0.217 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 134.7 | 174.2 | -165.5 | 179.9 | 176 | -177.8 | 0 | 110.1 | E3 T15 V17 Y167 I171 A180 | E3-K182 IonicContact OE1-NZ 3.07Å; E3-K182 PolarHBondContact OE1-NZ 3.37Å; T15-K182 HydrophobicContact CG2-CB 4.14Å; T15-K182 HydrophobicContact CG2-CD 3.75Å; T15-K182 WeakPolarHBondContact O-CB 3.36Å; T15-K182 PolarHBondContact O-N 3.45Å; V17-K182 HydrophobicContact CG2-CB 3.6Å; V17-K182 HydrophobicContact CG2-CD 4.2Å; V17-K182 HydrophobicContact CG2-CG 3.72Å; Y167-K182 VanDerWaalsContact OH-CE 3.25Å; Y167-K182 WeakPolarHBondContact OH-CE 3.41Å; I171-K182 HydrophobicContact CD1-CG 4.24Å; A180-K182 PolarHBondContact O-N 2.95Å |
| 183 | P | 95.4 | Very high | 92.7 | Very high | 23 Ų | 23 | 61.4 Ų | 61.4 | 15% | 0.149 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 138 | 169.3 | 24.6 | -33.3 | 0 | 0 | 0 | 110.6 | Y167 E170 I171 P185 F188 | Y167-P183 HydrophobicContact CD2-CB 4.46Å; Y167-P183 HydrophobicContact CD2-CG 4.27Å; Y167-P183 HydrophobicContact CE2-CB 4.33Å; Y167-P183 HydrophobicContact CE2-CG 3.94Å; E170-P183 HydrophobicContact CB-CB 4.36Å; E170-P183 HydrophobicContact CB-CG 4.12Å; I171-P183 HydrophobicContact CD1-CG 3.71Å; I171-P183 HydrophobicContact CG1-CG 4.11Å; P183-P185 WeakPolarHBondContact O-CD 3.41Å; P183-F188 HydrophobicContact CB-CE2 3.71Å; P183-F188 HydrophobicContact CB-CZ 4.07Å |
| 184 | D | 94.6 | Very high | 92.2 | Very high | 60 Ų | 60 | 56.8 Ų | 56.8 | 32% | 0.321 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 122.7 | 173.9 | -169.5 | -30.9 | 0 | 0 | 0 | 109 | K186 D187 F188 | D184-K186 PolarHBondContact O-N 3.19Å; D184-K186 WeakPolarHBondContact OD1-CB 3.47Å; D184-K186 WeakPolarHBondContact OD1-CG 3.32Å; D184-K186 PolarHBondContact OD1-N 3.48Å; D184-K186 IonicContact OD1-NZ 3.13Å; D184-K186 PolarHBondContact OD1-NZ 3Å; D184-K186 IonicContact OD2-NZ 3.76Å; D184-K186 PolarHBondContact OD2-NZ 2.95Å; D184-D187 PolarHBondContact O-N 3.47Å; D184-D187 VanDerWaalsContact O-N 3.11Å; D184-F188 VanDerWaalsContact O-CD2 3.3Å; D184-F188 WeakPolarHBondContact O-CD2 3.37Å |
| 185 | P | 95.9 | Very high | 91.6 | Very high | 31 Ų | 31 | 62.3 Ų | 62.3 | 20% | 0.201 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -54.7 | -23.3 | 177.3 | -26 | 34.5 | 0 | 0 | 0 | 114.8 | P161 V163 Y167 P183 D187 F188 | P161-P185 HydrophobicContact CB-CB 3.51Å; P161-P185 HydrophobicContact CB-CG 4.19Å; P161-P185 HydrophobicContact CG-CB 4.11Å; P161-P185 HydrophobicContact CG-CG 4.29Å; V163-P185 HydrophobicContact CG1-CB 3.79Å; Y167-P185 HydrophobicContact CE2-CB 4.15Å; Y167-P185 HydrophobicContact CE2-CG 3.78Å; P183-P185 WeakPolarHBondContact O-CD 3.41Å; P185-D187 VanDerWaalsContact C-N 3.29Å; P185-D187 PolarHBondContact O-N 3.1Å; P185-F188 PolarHBondContact O-N 2.69Å |
| 186 | K | 95.4 | Very high | 91.4 | Very high | 115 Ų | 115 | 64.2 Ų | 64.2 | 50% | 0.5 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -60.5 | -36 | 177.3 | -63.2 | 177.8 | -152.5 | 99.6 | 0 | 112.8 | D184 F188 L189 L206 | D184-K186 PolarHBondContact O-N 3.19Å; D184-K186 WeakPolarHBondContact OD1-CB 3.47Å; D184-K186 WeakPolarHBondContact OD1-CG 3.32Å; D184-K186 PolarHBondContact OD1-N 3.48Å; D184-K186 IonicContact OD1-NZ 3.13Å; D184-K186 PolarHBondContact OD1-NZ 3Å; D184-K186 IonicContact OD2-NZ 3.76Å; D184-K186 PolarHBondContact OD2-NZ 2.95Å; K186-F188 PolarHBondContact O-N 3.01Å; K186-F188 VanDerWaalsContact O-N 3.16Å; K186-L189 PolarHBondContact O-N 3.42Å; K186-L206 HydrophobicContact CB-CD2 4.38Å; K186-L206 HydrophobicContact CD-CD1 4.46Å; K186-L206 HydrophobicContact CG-CD1 4.48Å; K186-L206 HydrophobicContact CG-CD2 4.1Å |
| 187 | D | 96.2 | Very high | 91.4 | Very high | 131 Ų | 131 | 62 Ų | 62 | 70% | 0.701 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -69.6 | -12.7 | -176.6 | -60.3 | -27.2 | 0 | 0 | 0 | 112.6 | D184 P185 | D184-D187 PolarHBondContact O-N 3.47Å; D184-D187 VanDerWaalsContact O-N 3.11Å; P185-D187 VanDerWaalsContact C-N 3.29Å; P185-D187 PolarHBondContact O-N 3.1Å |
| 188 | F | 97.6 | Very high | 91.5 | Very high | 35 Ų | 35 | 57.4 Ų | 57.4 | 15% | 0.154 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -112.7 | 19.2 | -176.4 | -57 | -93.9 | 0 | 0 | 0 | 112.1 | V163 T164 D166 Y167 E170 P183 D184 P185 K186 P190 | V163-F188 CarbonylContact C-O 3.54Å; V163-F188 VanDerWaalsContact CA-O 3.27Å; V163-F188 WeakPolarHBondContact CA-O 3.32Å; V163-F188 HydrophobicContact CB-CB 4.04Å; V163-F188 HydrophobicContact CG1-CB 4.29Å; T164-F188 WeakPolarHBondContact CG2-O 3.42Å; T164-F188 PolarHBondContact N-O 2.88Å; D166-F188 HydrophobicContact CB-CD1 4.25Å; Y167-F188 HydrophobicContact CD2-CB 4.48Å; Y167-F188 AromaticContact CD2-CD2 3.68Å; Y167-F188 HydrophobicContact CD2-CD2 3.68Å; Y167-F188 HydrophobicContact CD2-CE2 4.13Å; Y167-F188 HydrophobicContact CD2-CG 4.04Å; Y167-F188 HydrophobicContact CG-CD2 4.43Å; Y167-F188 HydrophobicContact CG-CG 4.36Å; E170-F188 HydrophobicContact CB-CZ 4.32Å; E170-F188 HydrophobicContact CG-CE1 3.64Å; E170-F188 HydrophobicContact CG-CZ 3.64Å; P183-F188 HydrophobicContact CB-CE2 3.71Å; P183-F188 HydrophobicContact CB-CZ 4.07Å; D184-F188 VanDerWaalsContact O-CD2 3.3Å; D184-F188 WeakPolarHBondContact O-CD2 3.37Å; P185-F188 PolarHBondContact O-N 2.69Å; K186-F188 PolarHBondContact O-N 3.01Å; K186-F188 VanDerWaalsContact O-N 3.16Å; F188-P190 WeakPolarHBondContact O-CD 3.44Å |
| 189 | L | 97.3 | Very high | 91.7 | Very high | 41 Ų | 41 | 60.4 Ų | 60.4 | 22% | 0.215 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -63 | 123.7 | 179.5 | -176.6 | 68.7 | 0 | 0 | 0 | 111.1 | L146 K186 A202 F205 L206 | L146-L189 HydrophobicContact CD1-CD1 4.28Å; K186-L189 PolarHBondContact O-N 3.42Å; L189-A202 HydrophobicContact CD2-CB 3.84Å; L189-A202 VanDerWaalsContact CD2-O 3.26Å; L189-A202 WeakPolarHBondContact CD2-O 3.46Å; L189-F205 HydrophobicContact CD1-CB 4.05Å; L189-L206 HydrophobicContact CD1-CD2 4.43Å; L189-L206 HydrophobicContact CD2-CD2 4.1Å |
| 190 | P | 96.7 | Very high | 91.8 | Very high | 3 Ų | 3 | 65.7 Ų | 65.7 | 2% | 0.019 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 141.5 | -176.7 | -21.1 | 33.1 | 0 | 0 | 0 | 113.5 | M143 L146 I162 T164 F188 | M143-P190 HydrophobicContact CG-CB 4.33Å; M143-P190 HydrophobicContact CG-CG 3.84Å; M143-P190 WeakPolarHBondContact O-CG 3.38Å; L146-P190 HydrophobicContact CB-CB 4.34Å; I162-P190 HydrophobicContact CG2-CG 4.28Å; I162-P190 WeakPolarHBondContact O-CD 3.26Å; T164-P190 HydrophobicContact CG2-CB 4Å; T164-P190 HydrophobicContact CG2-CG 3.9Å; F188-P190 WeakPolarHBondContact O-CD 3.44Å |
| 191 | I | 94.5 | Very high | 91.7 | Very high | 102 Ų | 102 | 65.7 Ų | 65.7 | 52% | 0.523 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -55 | 137.3 | 175.8 | 61.7 | 175 | 0 | 0 | 0 | 112.1 | S145 L146 | S145-I191 CarbonylContact C-O 3.13Å; L146-I191 PolarHBondContact N-O 2.87Å |
| 192 | I | 92.8 | Very high | 91.6 | Very high | 8 Ų | 8 | 62.7 Ų | 62.7 | 4% | 0.041 | 32% | 0.321 | C | S | . | . | B | Isolated β-bridge | trans | -72.3 | 133.9 | -180 | -70.7 | 169.9 | 0 | 0 | 0 | 110.4 | L146 E194 L197 S198 Q199 D201 A202 F205 | L146-I192 HydrophobicContact CB-CG1 4.19Å; I192-E194 HydrophobicContact CG2-CB 4.26Å; I192-L197 HydrophobicContact CG2-CB 3.9Å; I192-S198 VanDerWaalsContact CD1-O 3.22Å; I192-S198 WeakPolarHBondContact CD1-O 3.3Å; I192-Q199 PolarHBondContact O-NE2 2.85Å; I192-D201 HydrophobicContact CD1-CB 4.19Å; I192-A202 HydrophobicContact CD1-CB 4.22Å; I192-F205 HydrophobicContact CD1-CD2 3.99Å; I192-F205 HydrophobicContact CD1-CE2 3.85Å; I192-F205 HydrophobicContact CG1-CE2 4.45Å |
| 193 | K | 90.1 | Very high | 91.6 | Very high | 114 Ų | 114 | 64.2 Ų | 64.2 | 50% | 0.496 | 34% | 0.338 | S | S | . | . | trans | -133.7 | 34.6 | 172.2 | -66.9 | -173 | -177.1 | 157.5 | 0 | 111.2 | S145 L146 I147 | S145-K193 VanDerWaalsContact OG-CE 3.32Å; S145-K193 WeakPolarHBondContact OG-CE 3.34Å; S145-K193 PolarHBondContact OG-NZ 2.89Å; L146-K193 PolarHBondContact O-N 3.1Å; I147-K193 HydrophobicContact CG1-CB 4.17Å | ||
| 194 | E | 84.1 | Confident | 91.6 | Very high | 27 Ų | 27 | 65.5 Ų | 65.5 | 13% | 0.126 | 34% | 0.341 | C | S | . | . | trans | -100.9 | 124.9 | 173.6 | -166.1 | 63.4 | -100.6 | 0 | 0 | 109.4 | I147 V148 I192 K196 L197 K642 | I147-E194 WeakPolarHBondContact CG2-OE2 3.43Å; V148-E194 HydrophobicContact CG2-CB 4.43Å; V148-E194 HydrophobicContact CG2-CG 3.98Å; V148-E194 PolarHBondContact N-OE2 3.3Å; I192-E194 HydrophobicContact CG2-CB 4.26Å; E194-K196 PolarHBondContact O-N 3.14Å; E194-L197 HydrophobicContact CB-CB 4.32Å; E194-L197 HydrophobicContact CB-CD1 4.17Å; E194-L197 HydrophobicContact CB-CG 4.46Å; E194-L197 HydrophobicContact CG-CD1 4.25Å; E194-L197 PolarHBondContact O-N 2.77Å; E194-L197 VanDerWaalsContact O-O 3.11Å; E194-K642 IonicContact OE1-NZ 2.67Å; E194-K642 PolarHBondContact OE1-NZ 3.03Å | ||
| 195 | D | 80.4 | Confident | 91.6 | Very high | 139 Ų | 139 | 62.6 Ų | 62.6 | 74% | 0.743 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -15.4 | -165.3 | -47.8 | -72.3 | 0 | 0 | 0 | 113.6 | K642 | D195-K642 IonicContact OD2-NZ 2.96Å; D195-K642 PolarHBondContact OD2-NZ 3.35Å |
| 196 | K | 80 | Confident | 91.7 | Very high | 83 Ų | 83 | 63.6 Ų | 63.6 | 36% | 0.361 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 4.9 | 179.4 | -65.9 | -178.5 | 173.5 | -179.5 | 0 | 113.8 | E194 F318 G338 L339 E342 | E194-K196 PolarHBondContact O-N 3.14Å; K196-F318 HydrophobicContact CB-CE1 4.46Å; K196-F318 HydrophobicContact CB-CZ 4.02Å; K196-F318 HydrophobicContact CD-CE2 4.33Å; K196-F318 HydrophobicContact CD-CZ 3.85Å; K196-G338 WeakPolarHBondContact CE-O 3.5Å; K196-G338 PolarHBondContact NZ-O 2.82Å; K196-L339 HydrophobicContact CD-CD2 4.38Å; K196-E342 VanDerWaalsContact NZ-CD 3.33Å; K196-E342 IonicContact NZ-OE1 2.68Å; K196-E342 PolarHBondContact NZ-OE1 2.97Å |
| 197 | L | 84.7 | Confident | 91.7 | Very high | 19 Ų | 19 | 61 Ų | 61 | 10% | 0.099 | 32% | 0.324 | C | S | . | . | trans | -133.5 | 144 | -176.3 | -63.5 | 173.2 | 0 | 0 | 0 | 111.4 | V148 I192 E194 D201 F205 F318 V321 Y322 | V148-L197 HydrophobicContact CG2-CD1 4.01Å; I192-L197 HydrophobicContact CG2-CB 3.9Å; E194-L197 HydrophobicContact CB-CB 4.32Å; E194-L197 HydrophobicContact CB-CD1 4.17Å; E194-L197 HydrophobicContact CB-CG 4.46Å; E194-L197 HydrophobicContact CG-CD1 4.25Å; E194-L197 PolarHBondContact O-N 2.77Å; E194-L197 VanDerWaalsContact O-O 3.11Å; L197-D201 HydrophobicContact CB-CB 4.35Å; L197-D201 HydrophobicContact CD2-CB 4.21Å; L197-F205 HydrophobicContact CD1-CE2 3.91Å; L197-F205 HydrophobicContact CD1-CZ 3.62Å; L197-F318 HydrophobicContact CD2-CE1 4.36Å; L197-V321 HydrophobicContact CD1-CG1 4.42Å; L197-V321 HydrophobicContact CD2-CG1 4.46Å; L197-Y322 HydrophobicContact CD2-CE2 4.14Å; L197-Y322 WeakPolarHBondContact CD2-OH 3.33Å | ||
| 198 | S | 88.7 | Confident | 91.7 | Very high | 51 Ų | 51 | 57.5 Ų | 57.5 | 36% | 0.357 | 31% | 0.305 | S | S | . | . | trans | -98.3 | 168.8 | 178.3 | 72.9 | 0 | 0 | 0 | 0 | 111.5 | I192 N200 D201 | I192-S198 VanDerWaalsContact CD1-O 3.22Å; I192-S198 WeakPolarHBondContact CD1-O 3.3Å; S198-N200 PolarHBondContact O-N 3.2Å; S198-N200 WeakPolarHBondContact OG-CB 3.38Å; S198-N200 PolarHBondContact OG-N 3.46Å; S198-D201 WeakPolarHBondContact CA-OD2 3.48Å; S198-D201 WeakPolarHBondContact CB-OD2 3.41Å; S198-D201 PolarHBondContact N-OD2 3.5Å; S198-D201 WeakPolarHBondContact O-CB 3.19Å; S198-D201 PolarHBondContact O-N 2.9Å; S198-D201 PolarHBondContact OG-OD2 3.22Å | ||
| 199 | Q | 91.3 | Very high | 91.6 | Very high | 105 Ų | 105 | 60.4 Ų | 60.4 | 49% | 0.491 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -64.6 | -20.2 | 170 | -52.8 | -53.7 | -36.9 | 0 | 0 | 112.2 | I192 D201 A202 | I192-Q199 PolarHBondContact O-NE2 2.85Å; Q199-D201 PolarHBondContact O-N 2.84Å; Q199-A202 WeakPolarHBondContact O-CB 3.5Å; Q199-A202 PolarHBondContact O-N 3.44Å; Q199-A202 VanDerWaalsContact O-N 3.07Å |
| 200 | N | 91 | Very high | 91.5 | Very high | 140 Ų | 140 | 63.7 Ų | 63.7 | 75% | 0.749 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -69.8 | -11.9 | 172.8 | -54.8 | -15.7 | 0 | 0 | 0 | 112.2 | S198 | S198-N200 PolarHBondContact O-N 3.2Å; S198-N200 WeakPolarHBondContact OG-CB 3.38Å; S198-N200 PolarHBondContact OG-N 3.46Å |
| 201 | D | 90.5 | Very high | 91.6 | Very high | 16 Ų | 16 | 63.8 Ų | 63.8 | 9% | 0.086 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -88.5 | -2.4 | 172.3 | -58.6 | -74.7 | 0 | 0 | 0 | 112.8 | I192 L197 S198 Q199 S203 K204 F205 Y322 | I192-D201 HydrophobicContact CD1-CB 4.19Å; L197-D201 HydrophobicContact CB-CB 4.35Å; L197-D201 HydrophobicContact CD2-CB 4.21Å; S198-D201 WeakPolarHBondContact CA-OD2 3.48Å; S198-D201 WeakPolarHBondContact CB-OD2 3.41Å; S198-D201 PolarHBondContact N-OD2 3.5Å; S198-D201 WeakPolarHBondContact O-CB 3.19Å; S198-D201 PolarHBondContact O-N 2.9Å; S198-D201 PolarHBondContact OG-OD2 3.22Å; Q199-D201 PolarHBondContact O-N 2.84Å; D201-S203 VanDerWaalsContact C-N 3.32Å; D201-S203 PolarHBondContact O-N 2.79Å; D201-K204 HydrophobicContact CB-CD 4.26Å; D201-K204 WeakPolarHBondContact O-CA 3.46Å; D201-K204 WeakPolarHBondContact O-CB 3.22Å; D201-K204 PolarHBondContact O-N 2.96Å; D201-K204 WeakPolarHBondContact OD1-CE 3.49Å; D201-K204 IonicContact OD1-NZ 3.24Å; D201-K204 PolarHBondContact OD1-NZ 3.09Å; D201-F205 WeakPolarHBondContact O-CD2 3.17Å; D201-Y322 PolarHBondContact OD1-OH 3.33Å |
| 202 | A | 92.9 | Very high | 91.6 | Very high | 24 Ų | 24 | 64 Ų | 64 | 20% | 0.198 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -55.7 | -42.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L189 I192 Q199 K204 F205 | L189-A202 HydrophobicContact CD2-CB 3.84Å; L189-A202 VanDerWaalsContact CD2-O 3.26Å; L189-A202 WeakPolarHBondContact CD2-O 3.46Å; I192-A202 HydrophobicContact CD1-CB 4.22Å; Q199-A202 WeakPolarHBondContact O-CB 3.5Å; Q199-A202 PolarHBondContact O-N 3.44Å; Q199-A202 VanDerWaalsContact O-N 3.07Å; A202-K204 PolarHBondContact O-N 2.95Å; A202-K204 VanDerWaalsContact O-N 3.09Å; A202-F205 PolarHBondContact O-N 2.95Å |
| 203 | S | 94.1 | Very high | 91.8 | Very high | 81 Ų | 81 | 68.9 Ų | 68.9 | 57% | 0.566 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -57.8 | -26 | 175.8 | 56.4 | 0 | 0 | 0 | 0 | 113.5 | D201 F205 L206 | D201-S203 VanDerWaalsContact C-N 3.32Å; D201-S203 PolarHBondContact O-N 2.79Å; S203-F205 PolarHBondContact O-N 3.17Å; S203-L206 PolarHBondContact O-N 3.44Å |
| 204 | K | 94 | Very high | 92.2 | Very high | 50 Ų | 50 | 64.2 Ų | 64.2 | 22% | 0.217 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -72 | -7.2 | 176.9 | -53.2 | -173.7 | 177.1 | 73.4 | 0 | 113.4 | D201 A202 R211 V321 Y322 | D201-K204 HydrophobicContact CB-CD 4.26Å; D201-K204 WeakPolarHBondContact O-CA 3.46Å; D201-K204 WeakPolarHBondContact O-CB 3.22Å; D201-K204 PolarHBondContact O-N 2.96Å; D201-K204 WeakPolarHBondContact OD1-CE 3.49Å; D201-K204 IonicContact OD1-NZ 3.24Å; D201-K204 PolarHBondContact OD1-NZ 3.09Å; A202-K204 PolarHBondContact O-N 2.95Å; A202-K204 VanDerWaalsContact O-N 3.09Å; K204-R211 PolarHBondContact O-NH2 2.91Å; K204-V321 HydrophobicContact CB-CG1 4.11Å; K204-V321 HydrophobicContact CD-CG1 4.4Å; K204-Y322 HydrophobicContact CD-CD1 4.02Å; K204-Y322 HydrophobicContact CD-CE1 3.89Å |
| 205 | F | 96 | Very high | 92.8 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -101.8 | -0.3 | 175.8 | -68.3 | -82.1 | 0 | 0 | 0 | 114.4 | L146 V148 V152 L156 I162 L189 I192 L197 D201 A202 S203 V321 | L146-F205 HydrophobicContact CD1-CB 3.63Å; L146-F205 HydrophobicContact CD1-CD1 3.62Å; L146-F205 HydrophobicContact CD1-CD2 3.87Å; L146-F205 HydrophobicContact CD1-CE1 4.28Å; L146-F205 HydrophobicContact CD1-CE2 4.48Å; L146-F205 HydrophobicContact CD1-CG 3.39Å; L146-F205 HydrophobicContact CD2-CD1 3.65Å; L146-F205 HydrophobicContact CD2-CD2 4.23Å; L146-F205 HydrophobicContact CD2-CE1 3.43Å; L146-F205 VanDerWaalsContact CD2-CE1 3.43Å; L146-F205 HydrophobicContact CD2-CE2 4.02Å; L146-F205 HydrophobicContact CD2-CG 4.06Å; L146-F205 HydrophobicContact CD2-CZ 3.63Å; L146-F205 HydrophobicContact CG-CD1 4.22Å; L146-F205 HydrophobicContact CG-CE1 4.46Å; L146-F205 HydrophobicContact CG-CG 4.37Å; V148-F205 HydrophobicContact CG2-CE1 4.25Å; V148-F205 HydrophobicContact CG2-CZ 4.09Å; V152-F205 HydrophobicContact CG1-CD1 4.12Å; V152-F205 HydrophobicContact CG1-CE1 3.99Å; L156-F205 HydrophobicContact CD1-CD1 3.78Å; L156-F205 HydrophobicContact CD1-CE1 3.92Å; L156-F205 HydrophobicContact CD2-CB 4.35Å; L156-F205 HydrophobicContact CD2-CD1 4.09Å; L156-F205 WeakPolarHBondContact CD2-O 3.37Å; L156-F205 HydrophobicContact CG-CD1 4.42Å; I162-F205 HydrophobicContact CD1-CD1 4.46Å; L189-F205 HydrophobicContact CD1-CB 4.05Å; I192-F205 HydrophobicContact CD1-CD2 3.99Å; I192-F205 HydrophobicContact CD1-CE2 3.85Å; I192-F205 HydrophobicContact CG1-CE2 4.45Å; L197-F205 HydrophobicContact CD1-CE2 3.91Å; L197-F205 HydrophobicContact CD1-CZ 3.62Å; D201-F205 WeakPolarHBondContact O-CD2 3.17Å; A202-F205 PolarHBondContact O-N 2.95Å; S203-F205 PolarHBondContact O-N 3.17Å; F205-V321 HydrophobicContact CE1-CG1 4.47Å; F205-V321 HydrophobicContact CE1-CG2 3.75Å; F205-V321 HydrophobicContact CE2-CG1 4.14Å; F205-V321 HydrophobicContact CZ-CB 4.47Å; F205-V321 HydrophobicContact CZ-CG1 3.83Å; F205-V321 HydrophobicContact CZ-CG2 3.74Å |
| 206 | L | 96.7 | Very high | 93.6 | Very high | 51 Ų | 51 | 59.4 Ų | 59.4 | 27% | 0.267 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -72.9 | 157.3 | 170.3 | -58.9 | -175.4 | 0 | 0 | 0 | 111.4 | K186 L189 S203 R211 | K186-L206 HydrophobicContact CB-CD2 4.38Å; K186-L206 HydrophobicContact CD-CD1 4.46Å; K186-L206 HydrophobicContact CG-CD1 4.48Å; K186-L206 HydrophobicContact CG-CD2 4.1Å; L189-L206 HydrophobicContact CD1-CD2 4.43Å; L189-L206 HydrophobicContact CD2-CD2 4.1Å; S203-L206 PolarHBondContact O-N 3.44Å; L206-R211 VanDerWaalsContact O-CZ 3.31Å; L206-R211 PolarHBondContact O-NH1 2.79Å; L206-R211 PolarHBondContact O-NH2 2.89Å |
| 207 | P | 96.4 | Very high | 94.3 | Very high | 61 Ų | 61 | 58.2 Ų | 58.2 | 40% | 0.396 | 33% | 0.331 | S | S | . | . | trans | -51 | 140 | 169.6 | -30.2 | 38.3 | 0 | 0 | 0 | 113.1 | C159 | C159-P207 HydrophobicContact CB-CB 4.08Å; C159-P207 WeakPolarHBondContact O-CB 3.37Å | ||
| 208 | N | 96.3 | Very high | 94.9 | Very high | 57 Ų | 57 | 58.6 Ų | 58.6 | 31% | 0.305 | 33% | 0.332 | S | S | . | . | trans | -157.6 | 114.4 | 176 | 175.5 | -11.6 | 0 | 0 | 0 | 107.9 | C159 L210 R211 | C159-N208 PolarHBondContact SG-O 2.98Å; N208-L210 VanDerWaalsContact C-N 3.26Å; N208-L210 PolarHBondContact O-N 3.29Å; N208-L210 VanDerWaalsContact OD1-CB 3.29Å; N208-L210 WeakPolarHBondContact OD1-CB 3.41Å; N208-L210 WeakPolarHBondContact OD1-CG 3.44Å; N208-L210 PolarHBondContact OD1-N 3.24Å; N208-R211 HydrophobicContact CB-CG 4.46Å; N208-R211 WeakPolarHBondContact O-CB 3.43Å; N208-R211 WeakPolarHBondContact O-CG 3.3Å; N208-R211 PolarHBondContact O-N 3.43Å | ||
| 209 | D | 95.1 | Very high | 95.3 | Very high | 96 Ų | 96 | 57.6 Ų | 57.6 | 51% | 0.513 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -70.2 | -16.9 | -173.5 | -67.4 | -80.1 | 0 | 0 | 0 | 114.5 | C159 R211 R212 | C159-D209 VanDerWaalsContact SG-CA 3.58Å; D209-R211 PolarHBondContact O-N 3.42Å; D209-R211 VanDerWaalsContact O-N 3.15Å; D209-R212 WeakPolarHBondContact O-CB 3.38Å; D209-R212 PolarHBondContact O-N 3.2Å; D209-R212 IonicContact OD1-CZ 2.61Å; D209-R212 IonicContact OD1-NE 2.67Å; D209-R212 PolarHBondContact OD1-NE 3.04Å; D209-R212 IonicContact OD1-NH2 2.89Å; D209-R212 PolarHBondContact OD1-NH2 3.33Å; D209-R212 VanDerWaalsContact OD1-NH2 3.14Å |
| 210 | L | 96.3 | Very high | 95.6 | Very high | 111 Ų | 111 | 52.6 Ų | 52.6 | 58% | 0.581 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -58.6 | -26.8 | 170.3 | -60.7 | 177.8 | 0 | 0 | 0 | 111.9 | N208 R212 L213 L214 | N208-L210 VanDerWaalsContact C-N 3.26Å; N208-L210 PolarHBondContact O-N 3.29Å; N208-L210 VanDerWaalsContact OD1-CB 3.29Å; N208-L210 WeakPolarHBondContact OD1-CB 3.41Å; N208-L210 WeakPolarHBondContact OD1-CG 3.44Å; N208-L210 PolarHBondContact OD1-N 3.24Å; L210-R212 PolarHBondContact O-N 3.21Å; L210-L213 PolarHBondContact O-N 3.04Å; L210-L213 VanDerWaalsContact O-N 3.15Å; L210-L214 PolarHBondContact O-N 2.85Å |
| 211 | R | 97 | Very high | 95.9 | Very high | 5 Ų | 5 | 46.4 Ų | 46.4 | 2% | 0.019 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -64.1 | -27.8 | 177.4 | -61.6 | -158.2 | -159.4 | 87.8 | 2.8 | 113.2 | L156 L157 K204 L206 N208 D209 L213 L214 V320 C323 | L156-R211 WeakPolarHBondContact O-CD 3.41Å; L156-R211 PolarHBondContact O-NH1 3.42Å; L157-R211 HydrophobicContact CD2-CB 4.36Å; L157-R211 VanDerWaalsContact CD2-O 3.25Å; L157-R211 WeakPolarHBondContact CD2-O 3.12Å; K204-R211 PolarHBondContact O-NH2 2.91Å; L206-R211 VanDerWaalsContact O-CZ 3.31Å; L206-R211 PolarHBondContact O-NH1 2.79Å; L206-R211 PolarHBondContact O-NH2 2.89Å; N208-R211 HydrophobicContact CB-CG 4.46Å; N208-R211 WeakPolarHBondContact O-CB 3.43Å; N208-R211 WeakPolarHBondContact O-CG 3.3Å; N208-R211 PolarHBondContact O-N 3.43Å; D209-R211 PolarHBondContact O-N 3.42Å; D209-R211 VanDerWaalsContact O-N 3.15Å; R211-L213 PolarHBondContact O-N 3.12Å; R211-L214 VanDerWaalsContact O-CB 3.28Å; R211-L214 WeakPolarHBondContact O-CB 3.33Å; R211-L214 PolarHBondContact O-N 2.92Å; R211-V320 VanDerWaalsContact CD-O 3.22Å; R211-V320 WeakPolarHBondContact CD-O 3.42Å; R211-V320 PolarHBondContact NE-O 3.35Å; R211-C323 HydrophobicContact CG-CB 4.36Å |
| 212 | R | 96.2 | Very high | 96.1 | Very high | 106 Ų | 106 | 45.8 Ų | 45.8 | 40% | 0.4 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -63.7 | -24.5 | 176.3 | -58.8 | -177.2 | -170.2 | -73.3 | 0.1 | 112.8 | L157 S158 C159 D209 L210 G238 N239 | L157-R212 WeakPolarHBondContact O-CG 3.36Å; S158-R212 VanDerWaalsContact C-NH1 3.34Å; S158-R212 PolarHBondContact O-NH1 3.46Å; S158-R212 PolarHBondContact O-NH2 3.11Å; C159-R212 PolarHBondContact SG-NE 3.44Å; D209-R212 WeakPolarHBondContact O-CB 3.38Å; D209-R212 PolarHBondContact O-N 3.2Å; D209-R212 IonicContact OD1-CZ 2.61Å; D209-R212 IonicContact OD1-NE 2.67Å; D209-R212 PolarHBondContact OD1-NE 3.04Å; D209-R212 IonicContact OD1-NH2 2.89Å; D209-R212 PolarHBondContact OD1-NH2 3.33Å; D209-R212 VanDerWaalsContact OD1-NH2 3.14Å; L210-R212 PolarHBondContact O-N 3.21Å; R212-G238 CarbonylContact O-C 3.59Å; R212-N239 VanDerWaalsContact O-CB 3.29Å; R212-N239 WeakPolarHBondContact O-CB 3.35Å; R212-N239 PolarHBondContact O-N 2.79Å |
| 213 | L | 96.8 | Very high | 96.1 | Very high | 110 Ų | 110 | 44.7 Ų | 44.7 | 58% | 0.576 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -110.9 | 4.9 | -178.1 | -60 | 177.9 | 0 | 0 | 0 | 112.8 | L210 R211 F215 S216 G238 N239 | L210-L213 PolarHBondContact O-N 3.04Å; L210-L213 VanDerWaalsContact O-N 3.15Å; R211-L213 PolarHBondContact O-N 3.12Å; L213-F215 VanDerWaalsContact C-N 3.28Å; L213-F215 PolarHBondContact O-N 3.06Å; L213-S216 WeakPolarHBondContact O-CB 3.28Å; L213-S216 PolarHBondContact O-N 2.93Å; L213-G238 CarbonylContact C-O 3.59Å; L213-N239 HydrophobicContact CD2-CB 4.28Å |
| 214 | L | 97.4 | Very high | 95.9 | Very high | 17 Ų | 17 | 42.2 Ų | 42.2 | 9% | 0.089 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -39.6 | -172.7 | 175.5 | 67.2 | 0 | 0 | 0 | 114 | L157 L210 R211 G238 A319 V320 C323 T325 | L157-L214 HydrophobicContact CD2-CD2 4.36Å; L210-L214 PolarHBondContact O-N 2.85Å; R211-L214 VanDerWaalsContact O-CB 3.28Å; R211-L214 WeakPolarHBondContact O-CB 3.33Å; R211-L214 PolarHBondContact O-N 2.92Å; L214-G238 PolarHBondContact N-O 3.44Å; L214-A319 HydrophobicContact CD2-CB 4.27Å; L214-A319 WeakPolarHBondContact CD2-O 3.22Å; L214-V320 HydrophobicContact CD2-CB 4.22Å; L214-V320 HydrophobicContact CD2-CG2 3.54Å; L214-C323 VanDerWaalsContact CD1-C 3.44Å; L214-T325 HydrophobicContact CD1-CG2 3.89Å; L214-T325 HydrophobicContact CG-CG2 4Å; L214-T325 WeakPolarHBondContact O-CG2 3.25Å |
| 215 | F | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 8.4 | -179.1 | -58.2 | -44.9 | 0 | 0 | 0 | 112.4 | L157 L213 G217 K218 F220 G238 G240 L316 A319 V320 T325 | L157-F215 HydrophobicContact CD2-CE2 4.36Å; L213-F215 VanDerWaalsContact C-N 3.28Å; L213-F215 PolarHBondContact O-N 3.06Å; F215-G217 PolarHBondContact O-N 2.99Å; F215-K218 WeakPolarHBondContact O-CB 3.25Å; F215-K218 PolarHBondContact O-N 3.31Å; F215-F220 HydrophobicContact CB-CE2 3.99Å; F215-F220 AromaticContact CD1-CE2 3.99Å; F215-F220 HydrophobicContact CD1-CE2 3.99Å; F215-F220 AromaticContact CD1-CZ 3.65Å; F215-F220 HydrophobicContact CD1-CZ 3.65Å; F215-F220 HydrophobicContact CE1-CZ 4.04Å; F215-F220 HydrophobicContact CG-CE2 4.03Å; F215-F220 HydrophobicContact CG-CZ 4.14Å; F215-G238 CarbonylContact C-O 3.55Å; F215-G238 WeakPolarHBondContact CA-O 3.45Å; F215-G238 WeakPolarHBondContact CB-O 3.47Å; F215-G238 PolarHBondContact N-O 3.34Å; F215-G240 WeakPolarHBondContact O-CA 3.12Å; F215-L316 HydrophobicContact CE1-CD2 4.06Å; F215-L316 HydrophobicContact CE2-CD2 4.19Å; F215-L316 HydrophobicContact CZ-CD2 3.69Å; F215-A319 HydrophobicContact CE1-CB 3.97Å; F215-A319 HydrophobicContact CZ-CB 4.32Å; F215-V320 HydrophobicContact CE2-CG2 4.15Å; F215-V320 HydrophobicContact CZ-CG2 3.92Å; F215-T325 HydrophobicContact CD1-CG2 3.69Å; F215-T325 HydrophobicContact CE1-CG2 3.93Å |
| 216 | S | 96.9 | Very high | 95.4 | Very high | 65 Ų | 65 | 50.7 Ų | 50.7 | 46% | 0.455 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 128.6 | -179.1 | -164.7 | 0 | 0 | 0 | 0 | 111.5 | L213 K218 G238 N239 | L213-S216 WeakPolarHBondContact O-CB 3.28Å; L213-S216 PolarHBondContact O-N 2.93Å; S216-K218 PolarHBondContact O-N 2.89Å; S216-G238 PolarHBondContact N-O 3.34Å; S216-N239 WeakPolarHBondContact CA-O 3.37Å; S216-N239 PolarHBondContact OG-ND2 3.41Å |
| 217 | G | 95.6 | Very high | 94.9 | Very high | 57 Ų | 57 | 51 Ų | 51 | 59% | 0.588 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | -14.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | F215 E280 | F215-G217 PolarHBondContact O-N 2.99Å; G217-E280 WeakPolarHBondContact O-CB 3.18Å; G217-E280 WeakPolarHBondContact O-CG 3.48Å |
| 218 | K | 97 | Very high | 94.8 | Very high | 27 Ų | 27 | 51 Ų | 51 | 12% | 0.117 | 27% | 0.268 | C | S | . | . | trans | -79.1 | 146.7 | 178.4 | -69 | -150.7 | 178.4 | -154.8 | 0 | 113.3 | F215 S216 F220 S241 T325 C329 | F215-K218 WeakPolarHBondContact O-CB 3.25Å; F215-K218 PolarHBondContact O-N 3.31Å; S216-K218 PolarHBondContact O-N 2.89Å; K218-F220 HydrophobicContact CB-CD2 4.2Å; K218-F220 HydrophobicContact CB-CE2 3.55Å; K218-F220 HydrophobicContact CB-CZ 4.22Å; K218-F220 HydrophobicContact CD-CE2 4.38Å; K218-F220 HydrophobicContact CD-CZ 4.22Å; K218-S241 PolarHBondContact O-N 2.84Å; K218-T325 HydrophobicContact CD-CG2 4.46Å; K218-T325 PolarHBondContact NZ-O 3.45Å; K218-C329 PolarHBondContact NZ-O 3.28Å | ||
| 219 | V | 96.8 | Very high | 94.5 | Very high | 30 Ų | 30 | 52.8 Ų | 52.8 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 115.9 | 176.9 | -173.5 | 0 | 0 | 0 | 0 | 109.9 | F221 S241 R243 E280 S281 C282 | V219-F221 HydrophobicContact CB-CE2 4.21Å; V219-F221 HydrophobicContact CG1-CD2 4.31Å; V219-F221 HydrophobicContact CG1-CE1 4.34Å; V219-F221 HydrophobicContact CG1-CE2 3.64Å; V219-F221 HydrophobicContact CG1-CZ 3.66Å; V219-S241 WeakPolarHBondContact CA-O 3.45Å; V219-R243 HydrophobicContact CG1-CG 4.05Å; V219-E280 HydrophobicContact CG2-CG 4.09Å; V219-E280 PolarHBondContact N-O 3.17Å; V219-S281 CarbonylContact O-C 3.28Å; V219-S281 WeakPolarHBondContact O-CA 3.16Å; V219-C282 PolarHBondContact O-N 3.26Å |
| 220 | F | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 111.1 | -177.3 | -69.5 | -97.5 | 0 | 0 | 0 | 110.9 | F215 K218 I235 S241 S242 R243 C282 V284 I311 L316 C329 | F215-F220 HydrophobicContact CB-CE2 3.99Å; F215-F220 AromaticContact CD1-CE2 3.99Å; F215-F220 HydrophobicContact CD1-CE2 3.99Å; F215-F220 AromaticContact CD1-CZ 3.65Å; F215-F220 HydrophobicContact CD1-CZ 3.65Å; F215-F220 HydrophobicContact CE1-CZ 4.04Å; F215-F220 HydrophobicContact CG-CE2 4.03Å; F215-F220 HydrophobicContact CG-CZ 4.14Å; K218-F220 HydrophobicContact CB-CD2 4.2Å; K218-F220 HydrophobicContact CB-CE2 3.55Å; K218-F220 HydrophobicContact CB-CZ 4.22Å; K218-F220 HydrophobicContact CD-CE2 4.38Å; K218-F220 HydrophobicContact CD-CZ 4.22Å; F220-I235 HydrophobicContact CB-CD1 3.57Å; F220-I235 HydrophobicContact CB-CG1 4.28Å; F220-I235 HydrophobicContact CB-CG2 4.33Å; F220-I235 HydrophobicContact CD1-CD1 4.3Å; F220-I235 HydrophobicContact CD1-CG1 4.48Å; F220-I235 HydrophobicContact CD2-CD1 4.36Å; F220-I235 HydrophobicContact CD2-CG1 4.14Å; F220-I235 HydrophobicContact CD2-CG2 3.58Å; F220-I235 HydrophobicContact CE2-CG2 4.18Å; F220-I235 HydrophobicContact CG-CD1 3.85Å; F220-I235 HydrophobicContact CG-CG1 4.06Å; F220-I235 HydrophobicContact CG-CG2 4.18Å; F220-S241 PolarHBondContact N-O 2.9Å; F220-S242 CarbonylContact O-C 3.52Å; F220-S242 WeakPolarHBondContact O-CA 3.25Å; F220-R243 PolarHBondContact O-N 2.67Å; F220-C282 CarbonylContact C-O 3.3Å; F220-C282 WeakPolarHBondContact CA-O 3.43Å; F220-C282 HydrophobicContact CD1-CB 3.97Å; F220-C282 HydrophobicContact CE1-CB 4.13Å; F220-V284 HydrophobicContact CB-CG2 4.49Å; F220-V284 HydrophobicContact CD1-CG2 4.16Å; F220-I311 HydrophobicContact CD1-CD1 3.85Å; F220-I311 HydrophobicContact CE1-CD1 3.56Å; F220-L316 HydrophobicContact CD1-CD2 4.04Å; F220-L316 HydrophobicContact CE1-CD2 3.52Å; F220-L316 HydrophobicContact CZ-CD2 4Å; F220-C329 HydrophobicContact CE1-CB 4.2Å; F220-C329 HydrophobicContact CZ-CB 4.38Å |
| 221 | F | 96.5 | Very high | 93.8 | Very high | 11 Ų | 11 | 46.3 Ų | 46.3 | 5% | 0.048 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 122.5 | 175 | -63.4 | -85.5 | 0 | 0 | 0 | 110 | V219 R243 L245 L254 I275 L276 C282 V283 V284 | V219-F221 HydrophobicContact CB-CE2 4.21Å; V219-F221 HydrophobicContact CG1-CD2 4.31Å; V219-F221 HydrophobicContact CG1-CE1 4.34Å; V219-F221 HydrophobicContact CG1-CE2 3.64Å; V219-F221 HydrophobicContact CG1-CZ 3.66Å; F221-R243 WeakPolarHBondContact CA-O 3.4Å; F221-R243 HydrophobicContact CD1-CB 3.83Å; F221-R243 HydrophobicContact CE1-CB 3.94Å; F221-R243 HydrophobicContact CE1-CG 4.17Å; F221-L245 HydrophobicContact CB-CB 4.45Å; F221-L245 HydrophobicContact CB-CD2 4.21Å; F221-L245 HydrophobicContact CD1-CB 4.24Å; F221-L245 HydrophobicContact CD1-CD2 3.88Å; F221-L245 HydrophobicContact CG-CD2 4.24Å; F221-L254 HydrophobicContact CE1-CD1 4.35Å; F221-I275 HydrophobicContact CD1-CD1 4.12Å; F221-I275 HydrophobicContact CE1-CD1 3.6Å; F221-I275 HydrophobicContact CZ-CB 4.14Å; F221-I275 HydrophobicContact CZ-CD1 3.83Å; F221-L276 HydrophobicContact CD2-CD2 3.95Å; F221-L276 HydrophobicContact CE2-CD2 4.21Å; F221-L276 HydrophobicContact CG-CD2 4.42Å; F221-C282 PolarHBondContact N-O 3.29Å; F221-V283 HydrophobicContact CB-CG2 4.25Å; F221-V284 PolarHBondContact O-N 3.02Å |
| 222 | V | 94.7 | Very high | 93.6 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.012 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 126.4 | 178.6 | -167.8 | 0 | 0 | 0 | 0 | 108.8 | K227 Y228 R243 L245 V284 | V222-K227 HydrophobicContact CG1-CB 3.85Å; V222-Y228 HydrophobicContact CB-CD2 4.28Å; V222-Y228 HydrophobicContact CG2-CD2 4.34Å; V222-R243 PolarHBondContact N-O 2.9Å; V222-L245 PolarHBondContact O-N 2.88Å; V222-V284 HydrophobicContact CG2-CB 4.44Å; V222-V284 HydrophobicContact CG2-CG2 4.17Å |
| 223 | L | 93.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -92 | 7.4 | -169.3 | -53.2 | 179.9 | 0 | 0 | 0 | 113.8 | L245 V283 F286 Q296 V299 Y300 | L223-L245 HydrophobicContact CD2-CB 4Å; L223-L245 HydrophobicContact CD2-CD2 4.16Å; L223-L245 HydrophobicContact CD2-CG 4.1Å; L223-L245 WeakPolarHBondContact CD2-O 3.42Å; L223-V283 HydrophobicContact CD1-CG1 3.83Å; L223-V283 HydrophobicContact CD2-CG1 4.23Å; L223-V283 HydrophobicContact CG-CG1 4.03Å; L223-F286 HydrophobicContact CB-CD1 3.74Å; L223-F286 HydrophobicContact CB-CE1 3.35Å; L223-F286 HydrophobicContact CB-CZ 4.08Å; L223-F286 HydrophobicContact CD1-CD1 4.2Å; L223-F286 HydrophobicContact CD1-CE1 3.79Å; L223-F286 HydrophobicContact CG-CD1 4.42Å; L223-F286 HydrophobicContact CG-CE1 4.16Å; L223-Q296 HydrophobicContact CD1-CG 4.26Å; L223-V299 HydrophobicContact CD1-CB 4.4Å; L223-V299 HydrophobicContact CD1-CG1 4.19Å; L223-V299 HydrophobicContact CD2-CG1 4.27Å; L223-V299 HydrophobicContact CD2-CG2 4.24Å; L223-Y300 HydrophobicContact CD1-CE1 4.06Å |
| 224 | N | 89.7 | Confident | 93.2 | Very high | 30 Ų | 30 | 40.3 Ų | 40.3 | 16% | 0.16 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -143.8 | 139.7 | 176.9 | 158.2 | -92.8 | 0 | 0 | 0 | 109.8 | D226 K227 Y228 F286 | N224-D226 PolarHBondContact ND2-OD2 3.33Å; N224-D226 PolarHBondContact OD1-N 3.17Å; N224-D226 VanDerWaalsContact OD1-N 3.12Å; N224-K227 PolarHBondContact OD1-N 3.47Å; N224-Y228 WeakPolarHBondContact O-CB 3.39Å; N224-Y228 PolarHBondContact O-N 3.31Å; N224-F286 HydrophobicContact CB-CD2 3.93Å; N224-F286 HydrophobicContact CB-CE2 4.13Å; N224-F286 HydrophobicContact CB-CG 4.47Å |
| 225 | K | 91 | Very high | 93.2 | Very high | 123 Ų | 123 | 39.5 Ų | 39.5 | 54% | 0.535 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -67 | -38.1 | -174.4 | -169.4 | 172.9 | -177.1 | 173.6 | 0 | 113.8 | Y228 N229 L244 | K225-Y228 WeakPolarHBondContact O-CB 3.35Å; K225-Y228 PolarHBondContact O-N 3.07Å; K225-N229 PolarHBondContact O-N 3.28Å; K225-N229 PolarHBondContact O-ND2 3.25Å; K225-N229 PolarHBondContact O-OD1 3.15Å; K225-L244 HydrophobicContact CB-CD1 4.36Å; K225-L244 HydrophobicContact CB-CD2 4.44Å; K225-L244 HydrophobicContact CG-CD2 4.26Å |
| 226 | D | 88.2 | Confident | 93.1 | Very high | 105 Ų | 105 | 45 Ų | 45 | 56% | 0.561 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -70.5 | -42.8 | -177.6 | -46.6 | -66.8 | 0 | 0 | 0 | 111.3 | N224 N229 I230 | N224-D226 PolarHBondContact ND2-OD2 3.33Å; N224-D226 PolarHBondContact OD1-N 3.17Å; N224-D226 VanDerWaalsContact OD1-N 3.12Å; D226-N229 PolarHBondContact O-N 3.24Å; D226-I230 WeakPolarHBondContact O-CG1 3.29Å; D226-I230 PolarHBondContact O-N 3.45Å |
| 227 | K | 88 | Confident | 93 | Very high | 56 Ų | 56 | 43.1 Ų | 43.1 | 24% | 0.243 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.2 | -39.1 | 170.1 | -72.7 | -68.1 | -177.2 | 175.9 | 0 | 111.9 | V222 N224 N229 I230 L231 E313 | V222-K227 HydrophobicContact CG1-CB 3.85Å; N224-K227 PolarHBondContact OD1-N 3.47Å; K227-N229 VanDerWaalsContact C-N 3.35Å; K227-N229 PolarHBondContact O-N 2.91Å; K227-I230 PolarHBondContact O-N 3.17Å; K227-L231 WeakPolarHBondContact O-CB 3.49Å; K227-L231 VanDerWaalsContact O-CG 3.3Å; K227-L231 WeakPolarHBondContact O-CG 3.45Å; K227-L231 PolarHBondContact O-N 3.03Å; K227-E313 WeakPolarHBondContact CD-OE2 3.41Å; K227-E313 WeakPolarHBondContact CE-OE2 3.29Å; K227-E313 IonicContact NZ-OE1 3.41Å; K227-E313 PolarHBondContact NZ-OE1 3.31Å; K227-E313 IonicContact NZ-OE2 2.69Å; K227-E313 PolarHBondContact NZ-OE2 2.66Å |
| 228 | Y | 93.6 | Very high | 93.1 | Very high | 63 Ų | 63 | 40.4 Ų | 40.4 | 25% | 0.247 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.4 | -47.2 | 174.6 | 174.9 | -97.8 | 0 | 0 | 0 | 111.6 | V222 N224 K225 I230 L231 S232 L244 | V222-Y228 HydrophobicContact CB-CD2 4.28Å; V222-Y228 HydrophobicContact CG2-CD2 4.34Å; N224-Y228 WeakPolarHBondContact O-CB 3.39Å; N224-Y228 PolarHBondContact O-N 3.31Å; K225-Y228 WeakPolarHBondContact O-CB 3.35Å; K225-Y228 PolarHBondContact O-N 3.07Å; Y228-I230 PolarHBondContact O-N 3.32Å; Y228-L231 PolarHBondContact O-N 3.31Å; Y228-S232 WeakPolarHBondContact O-CB 3.22Å; Y228-S232 PolarHBondContact O-N 3.05Å; Y228-S232 PolarHBondContact O-OG 3.31Å; Y228-S232 VanDerWaalsContact O-OG 3.1Å; Y228-L244 HydrophobicContact CD1-CB 4.38Å; Y228-L244 HydrophobicContact CD2-CB 4.06Å; Y228-L244 HydrophobicContact CE2-CB 4.29Å; Y228-L244 HydrophobicContact CG-CB 4.11Å; Y228-L244 HydrophobicContact CG-CD1 4.27Å |
| 229 | N | 89.1 | Confident | 93.1 | Very high | 93 Ų | 93 | 43.5 Ų | 43.5 | 50% | 0.497 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61 | -26.7 | 179.2 | -64.2 | -28.5 | 0 | 0 | 0 | 114.2 | K225 D226 K227 | K225-N229 PolarHBondContact O-N 3.28Å; K225-N229 PolarHBondContact O-ND2 3.25Å; K225-N229 PolarHBondContact O-OD1 3.15Å; D226-N229 PolarHBondContact O-N 3.24Å; K227-N229 VanDerWaalsContact C-N 3.35Å; K227-N229 PolarHBondContact O-N 2.91Å |
| 230 | I | 85.1 | Confident | 93.1 | Very high | 68 Ų | 68 | 42.6 Ų | 42.6 | 35% | 0.349 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -88.1 | -42.9 | 179.2 | -64.8 | 167.5 | 0 | 0 | 0 | 110.9 | D226 K227 Y228 W644 | D226-I230 WeakPolarHBondContact O-CG1 3.29Å; D226-I230 PolarHBondContact O-N 3.45Å; K227-I230 PolarHBondContact O-N 3.17Å; Y228-I230 PolarHBondContact O-N 3.32Å; I230-W644 HydrophobicContact CG2-CZ3 4.32Å |
| 231 | L | 92 | Very high | 93.1 | Very high | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.016 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -83.7 | -25.6 | -173 | -60.4 | 179.2 | 0 | 0 | 0 | 112.9 | K227 Y228 D233 I234 I235 V284 E313 L316 | K227-L231 WeakPolarHBondContact O-CB 3.49Å; K227-L231 VanDerWaalsContact O-CG 3.3Å; K227-L231 WeakPolarHBondContact O-CG 3.45Å; K227-L231 PolarHBondContact O-N 3.03Å; Y228-L231 PolarHBondContact O-N 3.31Å; L231-D233 VanDerWaalsContact C-N 3.29Å; L231-D233 PolarHBondContact O-N 3.36Å; L231-I234 HydrophobicContact CD2-CD1 4.41Å; L231-I234 PolarHBondContact O-N 2.94Å; L231-I235 HydrophobicContact CB-CD1 3.97Å; L231-I235 WeakPolarHBondContact O-CB 3.22Å; L231-I235 WeakPolarHBondContact O-CD1 3.5Å; L231-I235 VanDerWaalsContact O-CG1 3.3Å; L231-I235 WeakPolarHBondContact O-CG1 3.33Å; L231-I235 PolarHBondContact O-N 3.08Å; L231-V284 HydrophobicContact CD1-CG1 3.9Å; L231-E313 HydrophobicContact CD1-CG 4.39Å; L231-E313 HydrophobicContact CD2-CG 4.04Å; L231-L316 HydrophobicContact CD1-CD1 4.19Å; L231-L316 HydrophobicContact CD2-CD1 3.96Å; L231-L316 HydrophobicContact CG-CD1 4.49Å |
| 232 | S | 93.8 | Very high | 93.1 | Very high | 21 Ų | 21 | 45.7 Ų | 45.7 | 15% | 0.147 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -55.8 | -42 | -178.9 | 59.4 | 0 | 0 | 0 | 0 | 112.5 | Y228 R236 S242 | Y228-S232 WeakPolarHBondContact O-CB 3.22Å; Y228-S232 PolarHBondContact O-N 3.05Å; Y228-S232 PolarHBondContact O-OG 3.31Å; Y228-S232 VanDerWaalsContact O-OG 3.1Å; S232-R236 WeakPolarHBondContact O-CB 3.44Å; S232-R236 PolarHBondContact O-N 3.1Å; S232-S242 WeakPolarHBondContact CA-OG 3.34Å; S232-S242 WeakPolarHBondContact CB-OG 3.14Å |
| 233 | D | 90.8 | Very high | 93.1 | Very high | 65 Ų | 65 | 51.5 Ų | 51.5 | 35% | 0.348 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -71.4 | -39.3 | 177.6 | -83.2 | -19.5 | 0 | 0 | 0 | 113 | L231 R236 L237 | L231-D233 VanDerWaalsContact C-N 3.29Å; L231-D233 PolarHBondContact O-N 3.36Å; D233-R236 VanDerWaalsContact CG-NH2 3.35Å; D233-R236 PolarHBondContact O-N 2.84Å; D233-R236 IonicContact OD1-CZ 2.95Å; D233-R236 VanDerWaalsContact OD1-CZ 3.26Å; D233-R236 IonicContact OD1-NE 2.81Å; D233-R236 PolarHBondContact OD1-NE 3.06Å; D233-R236 IonicContact OD1-NH2 3.88Å; D233-R236 PolarHBondContact OD1-NH2 3.25Å; D233-R236 IonicContact OD2-NH2 2.68Å; D233-L237 WeakPolarHBondContact O-CB 3.19Å; D233-L237 WeakPolarHBondContact O-CG 3.49Å; D233-L237 PolarHBondContact O-N 3.46Å |
| 234 | I | 93.2 | Very high | 93.2 | Very high | 10 Ų | 10 | 53.2 Ų | 53.2 | 5% | 0.051 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.4 | -45.7 | 173.7 | -70.8 | 171.5 | 0 | 0 | 0 | 110.4 | I153 L157 L231 L237 G238 | I153-I234 HydrophobicContact CG2-CD1 4.38Å; I153-I234 HydrophobicContact CG2-CG1 4.35Å; I153-I234 HydrophobicContact CG2-CG2 3.72Å; L157-I234 HydrophobicContact CD1-CG2 4.01Å; L157-I234 WeakPolarHBondContact CD1-O 3.3Å; L231-I234 HydrophobicContact CD2-CD1 4.41Å; L231-I234 PolarHBondContact O-N 2.94Å; I234-L237 PolarHBondContact O-N 3.48Å; I234-G238 PolarHBondContact O-N 3.09Å |
| 235 | I | 96.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.9 | -43.7 | 179.9 | -69.2 | 156.4 | 0 | 0 | 0 | 110.3 | F220 L231 G238 G240 S241 L316 | F220-I235 HydrophobicContact CB-CD1 3.57Å; F220-I235 HydrophobicContact CB-CG1 4.28Å; F220-I235 HydrophobicContact CB-CG2 4.33Å; F220-I235 HydrophobicContact CD1-CD1 4.3Å; F220-I235 HydrophobicContact CD1-CG1 4.48Å; F220-I235 HydrophobicContact CD2-CD1 4.36Å; F220-I235 HydrophobicContact CD2-CG1 4.14Å; F220-I235 HydrophobicContact CD2-CG2 3.58Å; F220-I235 HydrophobicContact CE2-CG2 4.18Å; F220-I235 HydrophobicContact CG-CD1 3.85Å; F220-I235 HydrophobicContact CG-CG1 4.06Å; F220-I235 HydrophobicContact CG-CG2 4.18Å; L231-I235 HydrophobicContact CB-CD1 3.97Å; L231-I235 WeakPolarHBondContact O-CB 3.22Å; L231-I235 WeakPolarHBondContact O-CD1 3.5Å; L231-I235 VanDerWaalsContact O-CG1 3.3Å; L231-I235 WeakPolarHBondContact O-CG1 3.33Å; L231-I235 PolarHBondContact O-N 3.08Å; I235-G238 PolarHBondContact O-N 3.07Å; I235-G240 WeakPolarHBondContact O-CA 3.46Å; I235-G240 PolarHBondContact O-N 3.3Å; I235-S241 WeakPolarHBondContact CG2-O 3.28Å; I235-L316 HydrophobicContact CG1-CD2 4.15Å |
| 236 | R | 96 | Very high | 93.4 | Very high | 114 Ų | 114 | 48.2 Ų | 48.2 | 43% | 0.43 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.7 | -38.6 | 177.3 | -178.2 | -179.5 | 61.9 | 69.9 | -3.2 | 113 | S232 D233 G238 N239 | S232-R236 WeakPolarHBondContact O-CB 3.44Å; S232-R236 PolarHBondContact O-N 3.1Å; D233-R236 VanDerWaalsContact CG-NH2 3.35Å; D233-R236 PolarHBondContact O-N 2.84Å; D233-R236 IonicContact OD1-CZ 2.95Å; D233-R236 VanDerWaalsContact OD1-CZ 3.26Å; D233-R236 IonicContact OD1-NE 2.81Å; D233-R236 PolarHBondContact OD1-NE 3.06Å; D233-R236 IonicContact OD1-NH2 3.88Å; D233-R236 PolarHBondContact OD1-NH2 3.25Å; D233-R236 IonicContact OD2-NH2 2.68Å; R236-G238 PolarHBondContact O-N 3.28Å; R236-N239 PolarHBondContact O-N 3.42Å |
| 237 | L | 95.5 | Very high | 93.4 | Very high | 27 Ų | 27 | 44.6 Ų | 44.6 | 14% | 0.141 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.9 | -20.6 | 177.2 | -75.4 | 171.2 | 0 | 0 | 0 | 113.4 | W134 C154 L157 D233 I234 | W134-L237 HydrophobicContact CZ2-CD1 4.27Å; C154-L237 HydrophobicContact CB-CD1 3.76Å; L157-L237 HydrophobicContact CB-CB 3.92Å; L157-L237 HydrophobicContact CD1-CB 3.93Å; D233-L237 WeakPolarHBondContact O-CB 3.19Å; D233-L237 WeakPolarHBondContact O-CG 3.49Å; D233-L237 PolarHBondContact O-N 3.46Å; I234-L237 PolarHBondContact O-N 3.48Å |
| 238 | G | 96.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 16.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | R212 L213 L214 F215 S216 I234 I235 R236 G240 | R212-G238 CarbonylContact O-C 3.59Å; L213-G238 CarbonylContact C-O 3.59Å; L214-G238 PolarHBondContact N-O 3.44Å; F215-G238 CarbonylContact C-O 3.55Å; F215-G238 WeakPolarHBondContact CA-O 3.45Å; F215-G238 WeakPolarHBondContact CB-O 3.47Å; F215-G238 PolarHBondContact N-O 3.34Å; S216-G238 PolarHBondContact N-O 3.34Å; I234-G238 PolarHBondContact O-N 3.09Å; I235-G238 PolarHBondContact O-N 3.07Å; R236-G238 PolarHBondContact O-N 3.28Å; G238-G240 PolarHBondContact O-N 2.86Å |
| 239 | N | 97.2 | Very high | 93 | Very high | 92 Ų | 92 | 46.8 Ų | 46.8 | 49% | 0.492 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 22.3 | -175.3 | -160.3 | 56 | 0 | 0 | 0 | 115.2 | R212 L213 S216 R236 | R212-N239 VanDerWaalsContact O-CB 3.29Å; R212-N239 WeakPolarHBondContact O-CB 3.35Å; R212-N239 PolarHBondContact O-N 2.79Å; L213-N239 HydrophobicContact CD2-CB 4.28Å; S216-N239 WeakPolarHBondContact CA-O 3.37Å; S216-N239 PolarHBondContact OG-ND2 3.41Å; R236-N239 PolarHBondContact O-N 3.42Å |
| 240 | G | 97.6 | Very high | 92.8 | Very high | 10 Ų | 10 | 44.2 Ų | 44.2 | 10% | 0.103 | 23% | 0.234 | C | C | . | . | trans | -88.8 | 158.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | F215 I235 G238 | F215-G240 WeakPolarHBondContact O-CA 3.12Å; I235-G240 WeakPolarHBondContact O-CA 3.46Å; I235-G240 PolarHBondContact O-N 3.3Å; G238-G240 PolarHBondContact O-N 2.86Å | ||
| 241 | S | 96.6 | Very high | 92.8 | Very high | 57 Ų | 57 | 41 Ų | 41 | 40% | 0.399 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 139.1 | 169.2 | -74.7 | 0 | 0 | 0 | 0 | 110.9 | K218 V219 F220 I235 | K218-S241 PolarHBondContact O-N 2.84Å; V219-S241 WeakPolarHBondContact CA-O 3.45Å; F220-S241 PolarHBondContact N-O 2.9Å; I235-S241 WeakPolarHBondContact CG2-O 3.28Å |
| 242 | S | 96.1 | Very high | 92.2 | Very high | 19 Ų | 19 | 44.9 Ų | 44.9 | 13% | 0.133 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 148.5 | 167.8 | 58.7 | 0 | 0 | 0 | 0 | 110.7 | F220 S232 | F220-S242 CarbonylContact O-C 3.52Å; F220-S242 WeakPolarHBondContact O-CA 3.25Å; S232-S242 WeakPolarHBondContact CA-OG 3.34Å; S232-S242 WeakPolarHBondContact CB-OG 3.14Å |
| 243 | R | 95.2 | Very high | 91.6 | Very high | 125 Ų | 125 | 47.9 Ų | 47.9 | 47% | 0.472 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 134.5 | 176 | -61.9 | -64.6 | 178.9 | -179.5 | -1.2 | 109.7 | V219 F220 F221 V222 L254 | V219-R243 HydrophobicContact CG1-CG 4.05Å; F220-R243 PolarHBondContact O-N 2.67Å; F221-R243 WeakPolarHBondContact CA-O 3.4Å; F221-R243 HydrophobicContact CD1-CB 3.83Å; F221-R243 HydrophobicContact CE1-CB 3.94Å; F221-R243 HydrophobicContact CE1-CG 4.17Å; V222-R243 PolarHBondContact N-O 2.9Å; R243-L254 HydrophobicContact CG-CD2 4.47Å |
| 244 | L | 94.8 | Very high | 91 | Very high | 37 Ų | 37 | 46.7 Ų | 46.7 | 19% | 0.194 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 137.2 | 166 | -176.2 | 58.1 | 0 | 0 | 0 | 108.5 | K225 Y228 D246 V250 | K225-L244 HydrophobicContact CB-CD1 4.36Å; K225-L244 HydrophobicContact CB-CD2 4.44Å; K225-L244 HydrophobicContact CG-CD2 4.26Å; Y228-L244 HydrophobicContact CD1-CB 4.38Å; Y228-L244 HydrophobicContact CD2-CB 4.06Å; Y228-L244 HydrophobicContact CE2-CB 4.29Å; Y228-L244 HydrophobicContact CG-CB 4.11Å; Y228-L244 HydrophobicContact CG-CD1 4.27Å; L244-D246 HydrophobicContact CD1-CB 3.92Å; L244-D246 WeakPolarHBondContact CD2-OD2 3.5Å; L244-D246 HydrophobicContact CG-CB 4.33Å; L244-V250 VanDerWaalsContact O-CG1 3.25Å; L244-V250 WeakPolarHBondContact O-CG1 3.33Å |
| 245 | L | 93.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | trans | -146 | 54.2 | 177.5 | -175.2 | 63.6 | 0 | 0 | 0 | 108.5 | F221 V222 L223 S247 L251 L254 L272 I275 W295 | F221-L245 HydrophobicContact CB-CB 4.45Å; F221-L245 HydrophobicContact CB-CD2 4.21Å; F221-L245 HydrophobicContact CD1-CB 4.24Å; F221-L245 HydrophobicContact CD1-CD2 3.88Å; F221-L245 HydrophobicContact CG-CD2 4.24Å; V222-L245 PolarHBondContact O-N 2.88Å; L223-L245 HydrophobicContact CD2-CB 4Å; L223-L245 HydrophobicContact CD2-CD2 4.16Å; L223-L245 HydrophobicContact CD2-CG 4.1Å; L223-L245 WeakPolarHBondContact CD2-O 3.42Å; L245-S247 VanDerWaalsContact C-N 3.34Å; L245-L251 HydrophobicContact CD1-CB 3.87Å; L245-L251 HydrophobicContact CD1-CD1 3.94Å; L245-L251 HydrophobicContact CD1-CG 4.48Å; L245-L254 HydrophobicContact CD1-CD1 4.24Å; L245-L272 HydrophobicContact CD2-CD2 4.17Å; L245-I275 HydrophobicContact CD2-CD1 3.96Å; L245-W295 HydrophobicContact CD1-CZ2 3.96Å; L245-W295 HydrophobicContact CG-CZ2 4.06Å; L245-W295 PolarHBondContact O-NE1 2.67Å | ||
| 246 | D | 90.6 | Very high | 88 | Confident | 48 Ų | 48 | 51.6 Ų | 51.6 | 26% | 0.257 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -81.6 | -11.9 | -177.1 | 57.6 | 9.1 | 0 | 0 | 0 | 114 | L244 W295 | L244-D246 HydrophobicContact CD1-CB 3.92Å; L244-D246 WeakPolarHBondContact CD2-OD2 3.5Å; L244-D246 HydrophobicContact CG-CB 4.33Å; D246-W295 VanDerWaalsContact C-CD1 3.41Å |
| 247 | S | 89.2 | Confident | 86.2 | Confident | 28 Ų | 28 | 52.7 Ų | 52.7 | 20% | 0.196 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -151.9 | 157.4 | -170.5 | 51.8 | 0 | 0 | 0 | 0 | 112.6 | L245 D249 V250 | L245-S247 VanDerWaalsContact C-N 3.34Å; S247-D249 VanDerWaalsContact C-N 3.29Å; S247-D249 PolarHBondContact O-N 2.67Å; S247-V250 VanDerWaalsContact OG-CG2 3.28Å; S247-V250 WeakPolarHBondContact OG-CG2 3.21Å |
| 248 | P | 87.8 | Confident | 84.2 | Confident | 52 Ų | 52 | 55.8 Ų | 55.8 | 34% | 0.338 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.4 | -32.7 | 172.5 | -20.6 | 32.2 | 0 | 0 | 0 | 113.5 | V250 L251 L252 V268 W295 | P248-V250 PolarHBondContact O-N 3.24Å; P248-L251 VanDerWaalsContact O-CB 3.31Å; P248-L251 WeakPolarHBondContact O-CB 3.42Å; P248-L251 PolarHBondContact O-N 2.67Å; P248-L252 PolarHBondContact O-N 2.77Å; P248-V268 HydrophobicContact CB-CG1 4.46Å; P248-W295 HydrophobicContact CB-CH2 4.36Å; P248-W295 HydrophobicContact CB-CZ3 4.18Å; P248-W295 HydrophobicContact CG-CD2 4.38Å; P248-W295 HydrophobicContact CG-CE3 3.83Å; P248-W295 HydrophobicContact CG-CH2 4.38Å; P248-W295 HydrophobicContact CG-CZ3 3.85Å |
| 249 | D | 85.5 | Confident | 81.8 | Confident | 114 Ų | 114 | 65.9 Ų | 65.9 | 61% | 0.61 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -67.5 | -38.8 | -176.5 | -53.1 | -61.2 | 0 | 0 | 0 | 111.5 | S247 L251 L252 T253 | S247-D249 VanDerWaalsContact C-N 3.29Å; S247-D249 PolarHBondContact O-N 2.67Å; D249-L251 VanDerWaalsContact C-N 3.29Å; D249-L251 PolarHBondContact O-N 2.8Å; D249-L252 WeakPolarHBondContact O-CB 3.44Å; D249-L252 PolarHBondContact O-N 3.23Å; D249-T253 PolarHBondContact O-N 2.98Å |
| 250 | V | 85.7 | Confident | 79.6 | Confident | 38 Ų | 38 | 66.1 Ų | 66.1 | 23% | 0.23 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62 | -37 | 173.5 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | L244 S247 P248 L252 T253 L254 | L244-V250 VanDerWaalsContact O-CG1 3.25Å; L244-V250 WeakPolarHBondContact O-CG1 3.33Å; S247-V250 VanDerWaalsContact OG-CG2 3.28Å; S247-V250 WeakPolarHBondContact OG-CG2 3.21Å; P248-V250 PolarHBondContact O-N 3.24Å; V250-L252 VanDerWaalsContact C-N 3.33Å; V250-L252 PolarHBondContact O-N 3.07Å; V250-T253 PolarHBondContact O-N 2.94Å; V250-T253 PolarHBondContact O-OG1 2.73Å; V250-L254 HydrophobicContact CG1-CD1 4.3Å; V250-L254 HydrophobicContact CG1-CG 4.43Å; V250-L254 WeakPolarHBondContact O-CG 3.34Å; V250-L254 PolarHBondContact O-N 3.28Å |
| 251 | L | 84.6 | Confident | 77.1 | Confident | 1 Ų | 1 | 74 Ų | 74 | 1% | 0.005 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59.6 | -42.5 | 175.2 | -175.3 | 69 | 0 | 0 | 0 | 112.3 | L245 P248 D249 T253 L254 S255 V268 L271 L272 I275 W295 | L245-L251 HydrophobicContact CD1-CB 3.87Å; L245-L251 HydrophobicContact CD1-CD1 3.94Å; L245-L251 HydrophobicContact CD1-CG 4.48Å; P248-L251 VanDerWaalsContact O-CB 3.31Å; P248-L251 WeakPolarHBondContact O-CB 3.42Å; P248-L251 PolarHBondContact O-N 2.67Å; D249-L251 VanDerWaalsContact C-N 3.29Å; D249-L251 PolarHBondContact O-N 2.8Å; L251-T253 VanDerWaalsContact C-N 3.34Å; L251-T253 PolarHBondContact O-N 3.47Å; L251-L254 PolarHBondContact O-N 3.28Å; L251-S255 PolarHBondContact O-N 3.38Å; L251-S255 PolarHBondContact O-OG 3.38Å; L251-V268 HydrophobicContact CD2-CG1 3.91Å; L251-L271 HydrophobicContact CD2-CB 3.84Å; L251-L271 HydrophobicContact CD2-CD2 4.11Å; L251-L271 HydrophobicContact CD2-CG 4.1Å; L251-L271 HydrophobicContact CG-CB 4.3Å; L251-L271 HydrophobicContact CG-CD2 3.88Å; L251-L271 HydrophobicContact CG-CG 4Å; L251-L272 HydrophobicContact CD1-CD2 4.09Å; L251-L272 HydrophobicContact CD2-CD2 3.79Å; L251-L272 HydrophobicContact CD2-CG 3.66Å; L251-I275 HydrophobicContact CD1-CD1 3.4Å; L251-I275 VanDerWaalsContact CD1-CD1 3.4Å; L251-I275 HydrophobicContact CD1-CG1 3.91Å; L251-W295 HydrophobicContact CD2-CH2 4.28Å |
| 252 | L | 79.6 | Confident | 74.9 | Confident | 85 Ų | 85 | 75.1 Ų | 75.1 | 45% | 0.445 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59 | -46.6 | 176.2 | -62.3 | 172.6 | 0 | 0 | 0 | 110.7 | P248 D249 V250 L254 S255 S256 L271 | P248-L252 PolarHBondContact O-N 2.77Å; D249-L252 WeakPolarHBondContact O-CB 3.44Å; D249-L252 PolarHBondContact O-N 3.23Å; V250-L252 VanDerWaalsContact C-N 3.33Å; V250-L252 PolarHBondContact O-N 3.07Å; L252-L254 VanDerWaalsContact C-N 3.35Å; L252-L254 PolarHBondContact O-N 3.21Å; L252-S255 PolarHBondContact O-N 3Å; L252-S256 PolarHBondContact O-N 3.38Å; L252-S256 PolarHBondContact O-OG 3.2Å; L252-S256 VanDerWaalsContact O-OG 3.14Å; L252-L271 HydrophobicContact CD2-CD2 3.84Å |
| 253 | T | 79.9 | Confident | 72.8 | Confident | 83 Ų | 83 | 81.1 Ų | 81.1 | 51% | 0.509 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.1 | -34.5 | 178.7 | 69.4 | 0 | 0 | 0 | 0 | 113.7 | D249 V250 L251 S255 N257 | D249-T253 PolarHBondContact O-N 2.98Å; V250-T253 PolarHBondContact O-N 2.94Å; V250-T253 PolarHBondContact O-OG1 2.73Å; L251-T253 VanDerWaalsContact C-N 3.34Å; L251-T253 PolarHBondContact O-N 3.47Å; T253-S255 VanDerWaalsContact C-N 3.29Å; T253-S255 PolarHBondContact O-N 3.36Å; T253-N257 PolarHBondContact O-ND2 2.92Å |
| 254 | L | 78.5 | Confident | 71 | Confident | 41 Ų | 41 | 77.4 Ų | 77.4 | 22% | 0.215 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -62.4 | -38.5 | 175.1 | -71.6 | 170.5 | 0 | 0 | 0 | 111.4 | F221 R243 L245 V250 L251 L252 | F221-L254 HydrophobicContact CE1-CD1 4.35Å; R243-L254 HydrophobicContact CG-CD2 4.47Å; L245-L254 HydrophobicContact CD1-CD1 4.24Å; V250-L254 HydrophobicContact CG1-CD1 4.3Å; V250-L254 HydrophobicContact CG1-CG 4.43Å; V250-L254 WeakPolarHBondContact O-CG 3.34Å; V250-L254 PolarHBondContact O-N 3.28Å; L251-L254 PolarHBondContact O-N 3.28Å; L252-L254 VanDerWaalsContact C-N 3.35Å; L252-L254 PolarHBondContact O-N 3.21Å |
| 255 | S | 68.4 | Low | 69.6 | Low | 21 Ų | 21 | 87.7 Ų | 87.7 | 15% | 0.147 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -84.1 | -29.4 | -177.5 | -61 | 0 | 0 | 0 | 0 | 114.3 | L251 L252 T253 N257 N258 L271 | L251-S255 PolarHBondContact O-N 3.38Å; L251-S255 PolarHBondContact O-OG 3.38Å; L252-S255 PolarHBondContact O-N 3Å; T253-S255 VanDerWaalsContact C-N 3.29Å; T253-S255 PolarHBondContact O-N 3.36Å; S255-N257 PolarHBondContact O-N 2.92Å; S255-N257 VanDerWaalsContact O-N 3.16Å; S255-N258 WeakPolarHBondContact O-CB 3.07Å; S255-N258 PolarHBondContact O-N 2.9Å; S255-L271 WeakPolarHBondContact OG-CD1 3.47Å; S255-L271 WeakPolarHBondContact OG-CG 3.43Å |
| 256 | S | 59.7 | Low | 68.6 | Low | 92 Ų | 92 | 91.2 Ų | 91.2 | 64% | 0.643 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.1 | -15.7 | 174.3 | -60.4 | 0 | 0 | 0 | 0 | 114.3 | L252 N258 | L252-S256 PolarHBondContact O-N 3.38Å; L252-S256 PolarHBondContact O-OG 3.2Å; L252-S256 VanDerWaalsContact O-OG 3.14Å; S256-N258 VanDerWaalsContact C-N 3.32Å; S256-N258 CarbonylContact C-O 3.59Å |
| 257 | N | 56.6 | Low | 68.3 | Low | 136 Ų | 136 | 92.2 Ų | 92.2 | 73% | 0.727 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -18.6 | 172.9 | -72 | -60.5 | 0 | 0 | 0 | 113.1 | T253 S255 | T253-N257 PolarHBondContact O-ND2 2.92Å; S255-N257 PolarHBondContact O-N 2.92Å; S255-N257 VanDerWaalsContact O-N 3.16Å |
| 258 | N | 53.5 | Low | 68.2 | Low | 93 Ų | 93 | 93.2 Ų | 93.2 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -79.1 | 136.7 | 161 | -72.9 | -24 | 0 | 0 | 0 | 108.2 | S255 S256 V260 | S255-N258 WeakPolarHBondContact O-CB 3.07Å; S255-N258 PolarHBondContact O-N 2.9Å; S256-N258 VanDerWaalsContact C-N 3.32Å; S256-N258 CarbonylContact C-O 3.59Å; N258-V260 PolarHBondContact O-N 2.89Å |
| 259 | K | 47.5 | Very low | 68.3 | Low | 212 Ų | 212 | 92.9 Ų | 92.9 | 92% | 0.922 | 50% | 0.501 | S | S | * | . | trans | -72 | 38.8 | -174 | -61.6 | -176.1 | 178.1 | -179.4 | 0 | 114.8 | ||||
| 260 | V | 49.9 | Very low | 68.5 | Low | 97 Ų | 97 | 91.3 Ų | 91.3 | 59% | 0.588 | 49% | 0.493 | S | S | * | . | trans | -88.2 | 113.2 | 174 | -175.4 | 0 | 0 | 0 | 0 | 108 | N258 V262 | N258-V260 PolarHBondContact O-N 2.89Å; V260-V262 VanDerWaalsContact C-N 3.29Å; V260-V262 HydrophobicContact CB-CG2 4.19Å; V260-V262 HydrophobicContact CG1-CG2 3.8Å; V260-V262 PolarHBondContact O-N 3.26Å | ||
| 261 | H | 46.3 | Very low | 68.8 | Low | 176 Ų | 176 | 90.4 Ų | 90.4 | 82% | 0.815 | 49% | 0.487 | S | S | * | . | trans | -69.2 | 91 | 165.3 | -81.6 | -89 | 0 | 0 | 0 | 108.8 | T263 | H261-T263 VanDerWaalsContact C-N 3.35Å; H261-T263 PolarHBondContact O-N 2.85Å | ||
| 262 | V | 50.5 | Low | 69.2 | Low | 80 Ų | 80 | 90.4 Ų | 90.4 | 49% | 0.485 | 49% | 0.487 | S | S | . | . | trans | -73.4 | 86.3 | 179.8 | 177.2 | 0 | 0 | 0 | 0 | 109.6 | V260 G264 I266 | V260-V262 VanDerWaalsContact C-N 3.29Å; V260-V262 HydrophobicContact CB-CG2 4.19Å; V260-V262 HydrophobicContact CG1-CG2 3.8Å; V260-V262 PolarHBondContact O-N 3.26Å; V262-G264 WeakPolarHBondContact CG1-O 3.48Å; V262-G264 PolarHBondContact O-N 3.15Å; V262-I266 HydrophobicContact CB-CD1 4.33Å; V262-I266 HydrophobicContact CG1-CD1 3.58Å; V262-I266 HydrophobicContact CG1-CG1 3.76Å; V262-I266 HydrophobicContact CG2-CD1 3.74Å | ||
| 263 | T | 51.8 | Low | 69.9 | Low | 144 Ų | 144 | 90.4 Ų | 90.4 | 88% | 0.883 | 48% | 0.481 | S | S | * | . | trans | -84.7 | 17.4 | -178.6 | 48.8 | 0 | 0 | 0 | 0 | 114.1 | H261 | H261-T263 VanDerWaalsContact C-N 3.35Å; H261-T263 PolarHBondContact O-N 2.85Å | ||
| 264 | G | 57 | Low | 70.4 | Confident | 48 Ų | 48 | 89.7 Ų | 89.7 | 50% | 0.495 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -157.3 | 157.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V262 I266 | V262-G264 WeakPolarHBondContact CG1-O 3.48Å; V262-G264 PolarHBondContact O-N 3.15Å; G264-I266 PolarHBondContact O-N 2.83Å |
| 265 | R | 66.1 | Low | 71.1 | Confident | 253 Ų | 253 | 88.4 Ų | 88.4 | 96% | 0.955 | 47% | 0.467 | S | S | * | . | trans | -69.1 | 94 | 179.5 | -71.2 | -176.5 | 176.6 | -177.6 | -1.2 | 110.9 | ||||
| 266 | I | 72.4 | Confident | 72.4 | Confident | 74 Ų | 74 | 87.4 Ų | 87.4 | 38% | 0.379 | 46% | 0.46 | S | S | . | . | trans | -63 | 130.1 | 169.3 | -65.5 | 174.9 | 0 | 0 | 0 | 108.9 | V262 G264 D270 L271 | V262-I266 HydrophobicContact CB-CD1 4.33Å; V262-I266 HydrophobicContact CG1-CD1 3.58Å; V262-I266 HydrophobicContact CG1-CG1 3.76Å; V262-I266 HydrophobicContact CG2-CD1 3.74Å; G264-I266 PolarHBondContact O-N 2.83Å; I266-D270 HydrophobicContact CG2-CB 4.31Å; I266-L271 HydrophobicContact CG2-CB 4.3Å; I266-L271 HydrophobicContact CG2-CD1 4.35Å | ||
| 267 | P | 84.9 | Confident | 74.1 | Confident | 69 Ų | 69 | 85.9 Ų | 85.9 | 45% | 0.448 | 45% | 0.45 | S | S | . | . | trans | -60 | 137.6 | 173.5 | -24.9 | 35.9 | 0 | 0 | 0 | 112.1 | D269 D270 L271 | P267-D269 PolarHBondContact O-N 3.2Å; P267-D269 VanDerWaalsContact O-N 3.16Å; P267-D270 WeakPolarHBondContact CB-OD2 3.5Å; P267-D270 WeakPolarHBondContact CD-OD2 3.11Å; P267-D270 VanDerWaalsContact CG-OD2 3.28Å; P267-D270 WeakPolarHBondContact CG-OD2 3.48Å; P267-D270 PolarHBondContact O-N 2.93Å; P267-L271 PolarHBondContact O-N 2.92Å | ||
| 268 | V | 86.9 | Confident | 75.9 | Confident | 48 Ų | 48 | 82.4 Ų | 82.4 | 29% | 0.291 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -56.5 | -33.8 | 179.2 | -179.6 | 0 | 0 | 0 | 0 | 111.4 | P248 L251 L271 L272 W295 | P248-V268 HydrophobicContact CB-CG1 4.46Å; L251-V268 HydrophobicContact CD2-CG1 3.91Å; V268-L271 PolarHBondContact O-N 3.32Å; V268-L272 HydrophobicContact CG1-CD1 4.38Å; V268-L272 WeakPolarHBondContact O-CB 3.39Å; V268-L272 WeakPolarHBondContact O-CG 3.43Å; V268-L272 PolarHBondContact O-N 2.98Å; V268-W295 HydrophobicContact CG1-CH2 3.85Å; V268-W295 HydrophobicContact CG1-CZ3 3.68Å |
| 269 | D | 89.9 | Confident | 77.8 | Confident | 45 Ų | 45 | 82.8 Ų | 82.8 | 24% | 0.241 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -60.1 | -43.7 | 174.2 | -60.1 | 69.7 | 0 | 0 | 0 | 113 | P267 L272 R273 K298 | P267-D269 PolarHBondContact O-N 3.2Å; P267-D269 VanDerWaalsContact O-N 3.16Å; D269-L272 PolarHBondContact O-N 3.39Å; D269-R273 VanDerWaalsContact O-CG 3.27Å; D269-R273 WeakPolarHBondContact O-CG 3.47Å; D269-R273 PolarHBondContact O-N 3.41Å; D269-K298 WeakPolarHBondContact OD1-CE 3.1Å; D269-K298 IonicContact OD1-NZ 3.14Å; D269-K298 PolarHBondContact OD1-NZ 3.37Å; D269-K298 VanDerWaalsContact OD2-CE 3.3Å; D269-K298 WeakPolarHBondContact OD2-CE 3.45Å; D269-K298 IonicContact OD2-NZ 3.39Å; D269-K298 PolarHBondContact OD2-NZ 3.11Å |
| 270 | D | 89.7 | Confident | 80 | Confident | 81 Ų | 81 | 76 Ų | 76 | 43% | 0.433 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -73.7 | -33.6 | -177.8 | -61.7 | -34.5 | 0 | 0 | 0 | 111 | I266 P267 R273 D274 | I266-D270 HydrophobicContact CG2-CB 4.31Å; P267-D270 WeakPolarHBondContact CB-OD2 3.5Å; P267-D270 WeakPolarHBondContact CD-OD2 3.11Å; P267-D270 VanDerWaalsContact CG-OD2 3.28Å; P267-D270 WeakPolarHBondContact CG-OD2 3.48Å; P267-D270 PolarHBondContact O-N 2.93Å; D270-R273 WeakPolarHBondContact O-CB 3.42Å; D270-R273 PolarHBondContact O-N 3.21Å; D270-D274 PolarHBondContact O-N 3.5Å |
| 271 | L | 90.2 | Very high | 82.2 | Confident | 20 Ų | 20 | 71.6 Ų | 71.6 | 11% | 0.105 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -70.1 | -37.4 | 174.1 | -154.4 | 62.4 | 0 | 0 | 0 | 111.9 | L251 L252 S255 I266 P267 V268 R273 I275 | L251-L271 HydrophobicContact CD2-CB 3.84Å; L251-L271 HydrophobicContact CD2-CD2 4.11Å; L251-L271 HydrophobicContact CD2-CG 4.1Å; L251-L271 HydrophobicContact CG-CB 4.3Å; L251-L271 HydrophobicContact CG-CD2 3.88Å; L251-L271 HydrophobicContact CG-CG 4Å; L252-L271 HydrophobicContact CD2-CD2 3.84Å; S255-L271 WeakPolarHBondContact OG-CD1 3.47Å; S255-L271 WeakPolarHBondContact OG-CG 3.43Å; I266-L271 HydrophobicContact CG2-CB 4.3Å; I266-L271 HydrophobicContact CG2-CD1 4.35Å; P267-L271 PolarHBondContact O-N 2.92Å; V268-L271 PolarHBondContact O-N 3.32Å; L271-R273 VanDerWaalsContact C-N 3.34Å; L271-I275 PolarHBondContact O-N 2.77Å |
| 272 | L | 93.7 | Very high | 84.6 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.5 | -37.1 | 167.3 | -75.3 | 173.5 | 0 | 0 | 0 | 111.5 | L245 L251 V268 D269 L276 W295 K298 V299 V302 | L245-L272 HydrophobicContact CD2-CD2 4.17Å; L251-L272 HydrophobicContact CD1-CD2 4.09Å; L251-L272 HydrophobicContact CD2-CD2 3.79Å; L251-L272 HydrophobicContact CD2-CG 3.66Å; V268-L272 HydrophobicContact CG1-CD1 4.38Å; V268-L272 WeakPolarHBondContact O-CB 3.39Å; V268-L272 WeakPolarHBondContact O-CG 3.43Å; V268-L272 PolarHBondContact O-N 2.98Å; D269-L272 PolarHBondContact O-N 3.39Å; L272-L276 HydrophobicContact CB-CD1 4.48Å; L272-L276 HydrophobicContact CD2-CD1 4.28Å; L272-L276 WeakPolarHBondContact O-CB 3.5Å; L272-L276 VanDerWaalsContact O-CG 3.25Å; L272-L276 WeakPolarHBondContact O-CG 3.36Å; L272-L276 PolarHBondContact O-N 3.17Å; L272-W295 HydrophobicContact CD1-CH2 3.96Å; L272-W295 HydrophobicContact CD1-CZ3 4.16Å; L272-W295 HydrophobicContact CD2-CH2 3.99Å; L272-W295 HydrophobicContact CD2-CZ2 4.26Å; L272-W295 HydrophobicContact CG-CH2 4.23Å; L272-K298 HydrophobicContact CD1-CG 4.34Å; L272-V299 HydrophobicContact CD1-CG2 4.27Å; L272-V299 HydrophobicContact CD2-CG2 4.16Å; L272-V302 HydrophobicContact CB-CB 4.26Å; L272-V302 HydrophobicContact CB-CG1 3.98Å; L272-V302 HydrophobicContact CB-CG2 3.95Å; L272-V302 HydrophobicContact CD1-CG2 3.9Å |
| 273 | R | 94.1 | Very high | 86.8 | Confident | 86 Ų | 86 | 59.5 Ų | 59.5 | 33% | 0.325 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 176.3 | -76.3 | 172.3 | -168.9 | -58.7 | -14.9 | 112.1 | D269 D270 L271 S277 V302 S305 | D269-R273 VanDerWaalsContact O-CG 3.27Å; D269-R273 WeakPolarHBondContact O-CG 3.47Å; D269-R273 PolarHBondContact O-N 3.41Å; D270-R273 WeakPolarHBondContact O-CB 3.42Å; D270-R273 PolarHBondContact O-N 3.21Å; L271-R273 VanDerWaalsContact C-N 3.34Å; R273-S277 WeakPolarHBondContact O-CB 3.22Å; R273-S277 PolarHBondContact O-N 3.28Å; R273-S277 PolarHBondContact O-OG 3.02Å; R273-V302 HydrophobicContact CG-CG1 3.84Å; R273-S305 PolarHBondContact NH1-OG 3.26Å; R273-S305 PolarHBondContact NH2-OG 2.93Å |
| 274 | D | 91.5 | Very high | 88.8 | Confident | 67 Ų | 67 | 52.8 Ų | 52.8 | 36% | 0.358 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -53.9 | -60 | 174.8 | 176.4 | 66.5 | 0 | 0 | 0 | 109.8 | D270 L276 S277 K278 | D270-D274 PolarHBondContact O-N 3.5Å; D274-L276 PolarHBondContact O-N 3.25Å; D274-S277 PolarHBondContact O-OG 3.21Å; D274-K278 WeakPolarHBondContact O-CE 3.49Å; D274-K278 WeakPolarHBondContact O-CG 3.48Å; D274-K278 IonicContact OD1-NZ 2.98Å; D274-K278 WeakPolarHBondContact OD2-CE 3.32Å; D274-K278 IonicContact OD2-NZ 2.73Å; D274-K278 PolarHBondContact OD2-NZ 3.14Å |
| 275 | I | 93.3 | Very high | 90.4 | Very high | 14 Ų | 14 | 51.3 Ų | 51.3 | 7% | 0.072 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -70.2 | -32.7 | -172.9 | 62.7 | 151.4 | 0 | 0 | 0 | 114 | F221 L245 L251 L271 S281 | F221-I275 HydrophobicContact CD1-CD1 4.12Å; F221-I275 HydrophobicContact CE1-CD1 3.6Å; F221-I275 HydrophobicContact CZ-CB 4.14Å; F221-I275 HydrophobicContact CZ-CD1 3.83Å; L245-I275 HydrophobicContact CD2-CD1 3.96Å; L251-I275 HydrophobicContact CD1-CD1 3.4Å; L251-I275 VanDerWaalsContact CD1-CD1 3.4Å; L251-I275 HydrophobicContact CD1-CG1 3.91Å; L271-I275 PolarHBondContact O-N 2.77Å; I275-S281 VanDerWaalsContact O-CB 3.27Å; I275-S281 WeakPolarHBondContact O-CB 3.39Å; I275-S281 PolarHBondContact O-OG 3.44Å |
| 276 | L | 95.5 | Very high | 91.2 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -92.6 | -12 | -175.3 | -58.3 | -175.9 | 0 | 0 | 0 | 114.4 | F221 L272 D274 V283 V299 V302 L303 L306 R308 | F221-L276 HydrophobicContact CD2-CD2 3.95Å; F221-L276 HydrophobicContact CE2-CD2 4.21Å; F221-L276 HydrophobicContact CG-CD2 4.42Å; L272-L276 HydrophobicContact CB-CD1 4.48Å; L272-L276 HydrophobicContact CD2-CD1 4.28Å; L272-L276 WeakPolarHBondContact O-CB 3.5Å; L272-L276 VanDerWaalsContact O-CG 3.25Å; L272-L276 WeakPolarHBondContact O-CG 3.36Å; L272-L276 PolarHBondContact O-N 3.17Å; D274-L276 PolarHBondContact O-N 3.25Å; L276-V283 HydrophobicContact CD1-CG2 4.21Å; L276-V283 HydrophobicContact CD2-CG2 3.55Å; L276-V299 HydrophobicContact CD1-CG1 4.03Å; L276-V302 HydrophobicContact CD1-CG1 4.38Å; L276-L303 HydrophobicContact CB-CD2 4.24Å; L276-L303 HydrophobicContact CD1-CD2 3.94Å; L276-L303 HydrophobicContact CD1-CG 4.14Å; L276-L306 HydrophobicContact CB-CD1 3.87Å; L276-R308 WeakPolarHBondContact O-CD 3.33Å; L276-R308 PolarHBondContact O-NH1 3.05Å |
| 277 | S | 94.8 | Very high | 91.7 | Very high | 60 Ų | 60 | 43.7 Ų | 43.7 | 42% | 0.42 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -74.6 | -25.5 | 173.7 | 60.9 | 0 | 0 | 0 | 0 | 113.2 | R273 D274 | R273-S277 WeakPolarHBondContact O-CB 3.22Å; R273-S277 PolarHBondContact O-N 3.28Å; R273-S277 PolarHBondContact O-OG 3.02Å; D274-S277 PolarHBondContact O-OG 3.21Å |
| 278 | K | 94.6 | Very high | 91.5 | Very high | 63 Ų | 63 | 41.9 Ų | 41.9 | 27% | 0.274 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -65.7 | 129.1 | -174.8 | -43.5 | -174.3 | 178.3 | 167.6 | 0 | 110.7 | D274 E280 S281 R308 | D274-K278 WeakPolarHBondContact O-CE 3.49Å; D274-K278 WeakPolarHBondContact O-CG 3.48Å; D274-K278 IonicContact OD1-NZ 2.98Å; D274-K278 WeakPolarHBondContact OD2-CE 3.32Å; D274-K278 IonicContact OD2-NZ 2.73Å; D274-K278 PolarHBondContact OD2-NZ 3.14Å; K278-E280 VanDerWaalsContact CB-CD 3.44Å; K278-E280 WeakPolarHBondContact CB-OE1 3.35Å; K278-E280 VanDerWaalsContact CB-OE2 3.27Å; K278-E280 WeakPolarHBondContact CB-OE2 3.41Å; K278-E280 PolarHBondContact O-N 3.46Å; K278-E280 VanDerWaalsContact O-N 3.07Å; K278-S281 WeakPolarHBondContact O-CB 3.44Å; K278-S281 PolarHBondContact O-N 3.4Å; K278-R308 PolarHBondContact O-NH1 3.07Å |
| 279 | P | 92.5 | Very high | 91.2 | Very high | 100 Ų | 100 | 43 Ų | 43 | 65% | 0.649 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -33.9 | -171.2 | -29.3 | 36 | 0 | 0 | 0 | 114.8 | S281 R308 | P279-S281 VanDerWaalsContact C-N 3.3Å; P279-S281 PolarHBondContact O-N 3Å; P279-R308 PolarHBondContact O-NH2 2.86Å |
| 280 | E | 94.2 | Very high | 90.9 | Very high | 69 Ų | 69 | 46.3 Ų | 46.3 | 32% | 0.322 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -18 | -179.3 | 75.5 | -80.1 | -173.7 | 0 | 0 | 114.6 | G217 V219 K278 | G217-E280 WeakPolarHBondContact O-CB 3.18Å; G217-E280 WeakPolarHBondContact O-CG 3.48Å; V219-E280 HydrophobicContact CG2-CG 4.09Å; V219-E280 PolarHBondContact N-O 3.17Å; K278-E280 VanDerWaalsContact CB-CD 3.44Å; K278-E280 WeakPolarHBondContact CB-OE1 3.35Å; K278-E280 VanDerWaalsContact CB-OE2 3.27Å; K278-E280 WeakPolarHBondContact CB-OE2 3.41Å; K278-E280 PolarHBondContact O-N 3.46Å; K278-E280 VanDerWaalsContact O-N 3.07Å |
| 281 | S | 96.2 | Very high | 90.4 | Very high | 6 Ų | 6 | 48.3 Ų | 48.3 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 123.4 | -175.4 | -65.8 | 0 | 0 | 0 | 0 | 112.7 | V219 I275 K278 P279 R308 | V219-S281 CarbonylContact O-C 3.28Å; V219-S281 WeakPolarHBondContact O-CA 3.16Å; I275-S281 VanDerWaalsContact O-CB 3.27Å; I275-S281 WeakPolarHBondContact O-CB 3.39Å; I275-S281 PolarHBondContact O-OG 3.44Å; K278-S281 WeakPolarHBondContact O-CB 3.44Å; K278-S281 PolarHBondContact O-N 3.4Å; P279-S281 VanDerWaalsContact C-N 3.3Å; P279-S281 PolarHBondContact O-N 3Å; S281-R308 PolarHBondContact O-NH1 2.92Å; S281-R308 VanDerWaalsContact O-NH1 3.11Å |
| 282 | C | 96.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 128.4 | 178.4 | -60.9 | 0 | 0 | 0 | 0 | 109.9 | V219 F220 F221 I311 | V219-C282 PolarHBondContact O-N 3.26Å; F220-C282 CarbonylContact C-O 3.3Å; F220-C282 WeakPolarHBondContact CA-O 3.43Å; F220-C282 HydrophobicContact CD1-CB 3.97Å; F220-C282 HydrophobicContact CE1-CB 4.13Å; F221-C282 PolarHBondContact N-O 3.29Å; C282-I311 HydrophobicContact CB-CD1 3.85Å; C282-I311 HydrophobicContact CB-CG1 4.27Å |
| 283 | V | 96.5 | Very high | 89.9 | Confident | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.012 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 124.2 | 172.1 | 179.3 | 0 | 0 | 0 | 0 | 109 | F221 L223 L276 V299 Y300 L303 P310 I311 | F221-V283 HydrophobicContact CB-CG2 4.25Å; L223-V283 HydrophobicContact CD1-CG1 3.83Å; L223-V283 HydrophobicContact CD2-CG1 4.23Å; L223-V283 HydrophobicContact CG-CG1 4.03Å; L276-V283 HydrophobicContact CD1-CG2 4.21Å; L276-V283 HydrophobicContact CD2-CG2 3.55Å; V283-V299 HydrophobicContact CG1-CG1 4.13Å; V283-V299 HydrophobicContact CG2-CG1 4.25Å; V283-Y300 HydrophobicContact CG1-CE1 4.29Å; V283-L303 HydrophobicContact CB-CD1 3.87Å; V283-L303 HydrophobicContact CG1-CD1 4.3Å; V283-L303 HydrophobicContact CG2-CD1 3.9Å; V283-L303 HydrophobicContact CG2-CD2 4Å; V283-L303 HydrophobicContact CG2-CG 4.35Å; V283-P310 CarbonylContact O-C 3.49Å; V283-P310 WeakPolarHBondContact O-CA 3.32Å; V283-P310 WeakPolarHBondContact O-CB 3.5Å; V283-I311 WeakPolarHBondContact O-CG1 3.47Å; V283-I311 PolarHBondContact O-N 2.75Å |
| 284 | V | 93.9 | Very high | 89.6 | Confident | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.018 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 127.5 | 177.1 | -172.7 | 0 | 0 | 0 | 0 | 109.8 | F220 F221 V222 L231 I311 | F220-V284 HydrophobicContact CB-CG2 4.49Å; F220-V284 HydrophobicContact CD1-CG2 4.16Å; F221-V284 PolarHBondContact O-N 3.02Å; V222-V284 HydrophobicContact CG2-CB 4.44Å; V222-V284 HydrophobicContact CG2-CG2 4.17Å; L231-V284 HydrophobicContact CD1-CG1 3.9Å; V284-I311 HydrophobicContact CG2-CD1 4.45Å; V284-I311 HydrophobicContact CG2-CG1 4.45Å |
| 285 | H | 90.8 | Very high | 89.7 | Confident | 16 Ų | 16 | 49.1 Ų | 49.1 | 7% | 0.074 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 139.3 | 174.6 | -177.8 | 93.7 | 0 | 0 | 0 | 110.8 | Y300 P310 I311 L312 | H285-Y300 WeakPolarHBondContact CA-OH 3.14Å; H285-Y300 AromaticContact ND1-CZ 3.93Å; H285-Y300 PolarHBondContact ND1-OH 3.11Å; H285-P310 HydrophobicContact CB-CB 4.18Å; H285-I311 WeakPolarHBondContact CB-O 3.25Å; H285-I311 PolarHBondContact N-O 2.82Å; H285-L312 HydrophobicContact CB-CD2 3.93Å |
| 286 | F | 84.2 | Confident | 89.6 | Confident | 17 Ų | 17 | 48.9 Ų | 48.9 | 8% | 0.075 | 28% | 0.281 | C | S | . | . | trans | -139.8 | 158.9 | 169.4 | 79.4 | -65.3 | 0 | 0 | 0 | 109 | L223 N224 T292 Q296 | L223-F286 HydrophobicContact CB-CD1 3.74Å; L223-F286 HydrophobicContact CB-CE1 3.35Å; L223-F286 HydrophobicContact CB-CZ 4.08Å; L223-F286 HydrophobicContact CD1-CD1 4.2Å; L223-F286 HydrophobicContact CD1-CE1 3.79Å; L223-F286 HydrophobicContact CG-CD1 4.42Å; L223-F286 HydrophobicContact CG-CE1 4.16Å; N224-F286 HydrophobicContact CB-CD2 3.93Å; N224-F286 HydrophobicContact CB-CE2 4.13Å; N224-F286 HydrophobicContact CB-CG 4.47Å; F286-T292 HydrophobicContact CE2-CG2 4.39Å; F286-T292 WeakPolarHBondContact CE2-OG1 3.43Å; F286-T292 HydrophobicContact CZ-CG2 4.44Å; F286-T292 WeakPolarHBondContact CZ-OG1 3.31Å; F286-Q296 HydrophobicContact CE1-CB 4.07Å; F286-Q296 HydrophobicContact CE1-CG 3.75Å; F286-Q296 HydrophobicContact CZ-CB 4.24Å; F286-Q296 HydrophobicContact CZ-CG 4.32Å; F286-Q296 PolarHBondContact O-NE2 3.16Å | ||
| 287 | H | 83 | Confident | 89.5 | Confident | 150 Ų | 150 | 55 Ų | 55 | 69% | 0.694 | 30% | 0.304 | S | S | * | . | P | Polyproline II helix | trans | -76.1 | 130.1 | 173.4 | -171.1 | 85.3 | 0 | 0 | 0 | 109.8 | ||
| 288 | P | 80.4 | Confident | 89.4 | Confident | 31 Ų | 31 | 55.8 Ų | 55.8 | 20% | 0.201 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 142.3 | 179.9 | 17.5 | -28.2 | 0 | 0 | 0 | 112.7 | E293 | P288-E293 HydrophobicContact CB-CB 3.95Å; P288-E293 HydrophobicContact CB-CG 3.75Å; P288-E293 HydrophobicContact CG-CG 4.27Å |
| 289 | T | 81.1 | Confident | 89.4 | Confident | 72 Ų | 72 | 52.8 Ų | 52.8 | 44% | 0.442 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -91.2 | 160.4 | 149.1 | 68.3 | 0 | 0 | 0 | 0 | 109 | V291 T292 E293 | T289-V291 PolarHBondContact O-N 3.5Å; T289-V291 VanDerWaalsContact O-N 3.11Å; T289-T292 PolarHBondContact N-OG1 2.99Å; T289-T292 PolarHBondContact O-N 3.26Å; T289-T292 PolarHBondContact O-OG1 3.38Å; T289-T292 PolarHBondContact OG1-N 3.38Å; T289-T292 PolarHBondContact OG1-OG1 3Å; T289-E293 WeakPolarHBondContact O-CB 3.15Å; T289-E293 PolarHBondContact O-N 3.31Å |
| 290 | S | 82.3 | Confident | 89.5 | Confident | 115 Ų | 115 | 48.7 Ų | 48.7 | 80% | 0.804 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -29.8 | 174.2 | 50.3 | 0 | 0 | 0 | 0 | 113.6 | ||
| 291 | V | 80.4 | Confident | 89.5 | Confident | 122 Ų | 122 | 48.8 Ų | 48.8 | 74% | 0.739 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -40.5 | 177.2 | -176 | 0 | 0 | 0 | 0 | 111.8 | T289 | T289-V291 PolarHBondContact O-N 3.5Å; T289-V291 VanDerWaalsContact O-N 3.11Å |
| 292 | T | 84.3 | Confident | 89.4 | Confident | 20 Ų | 20 | 48.6 Ų | 48.6 | 12% | 0.123 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -13.2 | -172.6 | 57.8 | 0 | 0 | 0 | 0 | 114.2 | F286 T289 S294 W295 Q296 | F286-T292 HydrophobicContact CE2-CG2 4.39Å; F286-T292 WeakPolarHBondContact CE2-OG1 3.43Å; F286-T292 HydrophobicContact CZ-CG2 4.44Å; F286-T292 WeakPolarHBondContact CZ-OG1 3.31Å; T289-T292 PolarHBondContact N-OG1 2.99Å; T289-T292 PolarHBondContact O-N 3.26Å; T289-T292 PolarHBondContact O-OG1 3.38Å; T289-T292 PolarHBondContact OG1-N 3.38Å; T289-T292 PolarHBondContact OG1-OG1 3Å; T292-S294 PolarHBondContact O-N 3.29Å; T292-W295 PolarHBondContact O-N 3.37Å; T292-Q296 WeakPolarHBondContact O-CB 3.43Å; T292-Q296 PolarHBondContact O-N 3.47Å |
| 293 | E | 87.2 | Confident | 89.4 | Confident | 70 Ų | 70 | 48.8 Ų | 48.8 | 33% | 0.327 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.6 | -38.3 | -169.3 | -159.4 | -164 | -160 | 0 | 0 | 113.5 | P288 T289 R297 | P288-E293 HydrophobicContact CB-CB 3.95Å; P288-E293 HydrophobicContact CB-CG 3.75Å; P288-E293 HydrophobicContact CG-CG 4.27Å; T289-E293 WeakPolarHBondContact O-CB 3.15Å; T289-E293 PolarHBondContact O-N 3.31Å; E293-R297 VanDerWaalsContact CG-NH1 3.34Å; E293-R297 WeakPolarHBondContact O-CB 3.27Å; E293-R297 VanDerWaalsContact O-CG 3.32Å; E293-R297 WeakPolarHBondContact O-CG 3.19Å; E293-R297 PolarHBondContact O-N 3.45Å; E293-R297 IonicContact OE1-CZ 3.72Å; E293-R297 IonicContact OE1-NH1 2.79Å; E293-R297 IonicContact OE1-NH2 3.75Å; E293-R297 PolarHBondContact OE1-NH2 3Å; E293-R297 IonicContact OE2-CZ 3.41Å; E293-R297 IonicContact OE2-NH1 3.24Å; E293-R297 PolarHBondContact OE2-NH1 3Å; E293-R297 IonicContact OE2-NH2 3.73Å; E293-R297 PolarHBondContact OE2-NH2 2.64Å |
| 294 | S | 89.6 | Confident | 89.2 | Confident | 82 Ų | 82 | 55.6 Ų | 55.6 | 57% | 0.573 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -64.5 | -45.4 | 177.7 | 56.7 | 0 | 0 | 0 | 0 | 112 | T292 K298 | T292-S294 PolarHBondContact O-N 3.29Å; S294-K298 PolarHBondContact O-N 3.2Å |
| 295 | W | 92.4 | Very high | 89.3 | Confident | 19 Ų | 19 | 58.4 Ų | 58.4 | 7% | 0.072 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.6 | -43.2 | 176.6 | 178.9 | -126.3 | 0 | 0 | 0 | 111.9 | L245 D246 P248 L251 V268 L272 T292 R297 K298 V299 | L245-W295 HydrophobicContact CD1-CZ2 3.96Å; L245-W295 HydrophobicContact CG-CZ2 4.06Å; L245-W295 PolarHBondContact O-NE1 2.67Å; D246-W295 VanDerWaalsContact C-CD1 3.41Å; P248-W295 HydrophobicContact CB-CH2 4.36Å; P248-W295 HydrophobicContact CB-CZ3 4.18Å; P248-W295 HydrophobicContact CG-CD2 4.38Å; P248-W295 HydrophobicContact CG-CE3 3.83Å; P248-W295 HydrophobicContact CG-CH2 4.38Å; P248-W295 HydrophobicContact CG-CZ3 3.85Å; L251-W295 HydrophobicContact CD2-CH2 4.28Å; V268-W295 HydrophobicContact CG1-CH2 3.85Å; V268-W295 HydrophobicContact CG1-CZ3 3.68Å; L272-W295 HydrophobicContact CD1-CH2 3.96Å; L272-W295 HydrophobicContact CD1-CZ3 4.16Å; L272-W295 HydrophobicContact CD2-CH2 3.99Å; L272-W295 HydrophobicContact CD2-CZ2 4.26Å; L272-W295 HydrophobicContact CG-CH2 4.23Å; T292-W295 PolarHBondContact O-N 3.37Å; W295-R297 PolarHBondContact O-N 3.02Å; W295-K298 HydrophobicContact CE3-CB 4.16Å; W295-K298 HydrophobicContact CE3-CG 4.33Å; W295-K298 HydrophobicContact CZ3-CB 4.49Å; W295-K298 HydrophobicContact CZ3-CG 4.21Å; W295-K298 WeakPolarHBondContact O-CA 3.49Å; W295-K298 VanDerWaalsContact O-CB 3.31Å; W295-K298 WeakPolarHBondContact O-CB 3.32Å; W295-K298 PolarHBondContact O-N 2.82Å; W295-V299 HydrophobicContact CD2-CG2 4.13Å; W295-V299 HydrophobicContact CH2-CG2 4.32Å; W295-V299 HydrophobicContact CZ2-CG2 3.9Å; W295-V299 PolarHBondContact O-N 2.58Å |
| 296 | Q | 92.2 | Very high | 89.4 | Confident | 8 Ų | 8 | 60 Ų | 60 | 4% | 0.037 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.8 | -44.9 | 176.8 | -174.5 | 175.3 | 21.6 | 0 | 0 | 112.2 | L223 F286 T292 K298 V299 Y300 | L223-Q296 HydrophobicContact CD1-CG 4.26Å; F286-Q296 HydrophobicContact CE1-CB 4.07Å; F286-Q296 HydrophobicContact CE1-CG 3.75Å; F286-Q296 HydrophobicContact CZ-CB 4.24Å; F286-Q296 HydrophobicContact CZ-CG 4.32Å; F286-Q296 PolarHBondContact O-NE2 3.16Å; T292-Q296 WeakPolarHBondContact O-CB 3.43Å; T292-Q296 PolarHBondContact O-N 3.47Å; Q296-K298 VanDerWaalsContact C-N 3.26Å; Q296-K298 PolarHBondContact O-N 3.5Å; Q296-V299 PolarHBondContact O-N 2.69Å; Q296-Y300 HydrophobicContact CG-CD1 4.44Å; Q296-Y300 HydrophobicContact CG-CD2 3.86Å; Q296-Y300 HydrophobicContact CG-CE1 4.1Å; Q296-Y300 HydrophobicContact CG-CE2 3.45Å; Q296-Y300 VanDerWaalsContact CG-CE2 3.45Å; Q296-Y300 HydrophobicContact CG-CG 4.36Å; Q296-Y300 VanDerWaalsContact NE2-CE2 3.31Å; Q296-Y300 PolarHBondContact NE2-OH 3.01Å; Q296-Y300 WeakPolarHBondContact O-CB 3.18Å; Q296-Y300 VanDerWaalsContact O-CG 3.24Å; Q296-Y300 PolarHBondContact O-N 3.01Å |
| 297 | R | 92.3 | Very high | 89.9 | Confident | 129 Ų | 129 | 68.4 Ų | 68.4 | 49% | 0.487 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -55.7 | -41.2 | 172 | -76 | -179.2 | -173.8 | 105.8 | -5.7 | 111.8 | E293 W295 Y300 S301 | E293-R297 VanDerWaalsContact CG-NH1 3.34Å; E293-R297 WeakPolarHBondContact O-CB 3.27Å; E293-R297 VanDerWaalsContact O-CG 3.32Å; E293-R297 WeakPolarHBondContact O-CG 3.19Å; E293-R297 PolarHBondContact O-N 3.45Å; E293-R297 IonicContact OE1-CZ 3.72Å; E293-R297 IonicContact OE1-NH1 2.79Å; E293-R297 IonicContact OE1-NH2 3.75Å; E293-R297 PolarHBondContact OE1-NH2 3Å; E293-R297 IonicContact OE2-CZ 3.41Å; E293-R297 IonicContact OE2-NH1 3.24Å; E293-R297 PolarHBondContact OE2-NH1 3Å; E293-R297 IonicContact OE2-NH2 3.73Å; E293-R297 PolarHBondContact OE2-NH2 2.64Å; W295-R297 PolarHBondContact O-N 3.02Å; R297-Y300 PolarHBondContact O-N 3.35Å; R297-S301 WeakPolarHBondContact O-CB 3.33Å; R297-S301 PolarHBondContact O-N 2.93Å |
| 298 | K | 92.8 | Very high | 90.5 | Very high | 78 Ų | 78 | 61.7 Ų | 61.7 | 34% | 0.339 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.1 | -50.1 | 179.8 | -168.7 | 61.6 | 161.1 | 170.5 | 0 | 111.8 | D269 L272 S294 W295 Q296 Y300 S301 V302 | D269-K298 WeakPolarHBondContact OD1-CE 3.1Å; D269-K298 IonicContact OD1-NZ 3.14Å; D269-K298 PolarHBondContact OD1-NZ 3.37Å; D269-K298 VanDerWaalsContact OD2-CE 3.3Å; D269-K298 WeakPolarHBondContact OD2-CE 3.45Å; D269-K298 IonicContact OD2-NZ 3.39Å; D269-K298 PolarHBondContact OD2-NZ 3.11Å; L272-K298 HydrophobicContact CD1-CG 4.34Å; S294-K298 PolarHBondContact O-N 3.2Å; W295-K298 HydrophobicContact CE3-CB 4.16Å; W295-K298 HydrophobicContact CE3-CG 4.33Å; W295-K298 HydrophobicContact CZ3-CB 4.49Å; W295-K298 HydrophobicContact CZ3-CG 4.21Å; W295-K298 WeakPolarHBondContact O-CA 3.49Å; W295-K298 VanDerWaalsContact O-CB 3.31Å; W295-K298 WeakPolarHBondContact O-CB 3.32Å; W295-K298 PolarHBondContact O-N 2.82Å; Q296-K298 VanDerWaalsContact C-N 3.26Å; Q296-K298 PolarHBondContact O-N 3.5Å; K298-Y300 PolarHBondContact O-N 2.89Å; K298-S301 WeakPolarHBondContact O-CB 3.42Å; K298-S301 PolarHBondContact O-N 3Å; K298-V302 PolarHBondContact O-N 3.45Å |
| 299 | V | 94.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.3 | -44.9 | 175.2 | 174.5 | 0 | 0 | 0 | 0 | 111.3 | L223 L272 L276 V283 W295 Q296 S301 V302 L303 | L223-V299 HydrophobicContact CD1-CB 4.4Å; L223-V299 HydrophobicContact CD1-CG1 4.19Å; L223-V299 HydrophobicContact CD2-CG1 4.27Å; L223-V299 HydrophobicContact CD2-CG2 4.24Å; L272-V299 HydrophobicContact CD1-CG2 4.27Å; L272-V299 HydrophobicContact CD2-CG2 4.16Å; L276-V299 HydrophobicContact CD1-CG1 4.03Å; V283-V299 HydrophobicContact CG1-CG1 4.13Å; V283-V299 HydrophobicContact CG2-CG1 4.25Å; W295-V299 HydrophobicContact CD2-CG2 4.13Å; W295-V299 HydrophobicContact CH2-CG2 4.32Å; W295-V299 HydrophobicContact CZ2-CG2 3.9Å; W295-V299 PolarHBondContact O-N 2.58Å; Q296-V299 PolarHBondContact O-N 2.69Å; V299-S301 PolarHBondContact O-N 3.19Å; V299-V302 PolarHBondContact O-N 2.75Å; V299-L303 HydrophobicContact CG1-CD1 4.45Å; V299-L303 PolarHBondContact O-N 3.45Å |
| 300 | Y | 94.5 | Very high | 91.7 | Very high | 14 Ų | 14 | 57.2 Ų | 57.2 | 6% | 0.055 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.3 | -31.3 | -179.4 | -69 | -4.4 | 0 | 0 | 0 | 113.3 | L223 V283 H285 Q296 R297 K298 L303 R304 P310 F349 | L223-Y300 HydrophobicContact CD1-CE1 4.06Å; V283-Y300 HydrophobicContact CG1-CE1 4.29Å; H285-Y300 WeakPolarHBondContact CA-OH 3.14Å; H285-Y300 AromaticContact ND1-CZ 3.93Å; H285-Y300 PolarHBondContact ND1-OH 3.11Å; Q296-Y300 HydrophobicContact CG-CD1 4.44Å; Q296-Y300 HydrophobicContact CG-CD2 3.86Å; Q296-Y300 HydrophobicContact CG-CE1 4.1Å; Q296-Y300 HydrophobicContact CG-CE2 3.45Å; Q296-Y300 VanDerWaalsContact CG-CE2 3.45Å; Q296-Y300 HydrophobicContact CG-CG 4.36Å; Q296-Y300 VanDerWaalsContact NE2-CE2 3.31Å; Q296-Y300 PolarHBondContact NE2-OH 3.01Å; Q296-Y300 WeakPolarHBondContact O-CB 3.18Å; Q296-Y300 VanDerWaalsContact O-CG 3.24Å; Q296-Y300 PolarHBondContact O-N 3.01Å; R297-Y300 PolarHBondContact O-N 3.35Å; K298-Y300 PolarHBondContact O-N 2.89Å; Y300-L303 HydrophobicContact CD1-CD1 3.95Å; Y300-L303 HydrophobicContact CE1-CD1 4.46Å; Y300-L303 PolarHBondContact O-N 3.31Å; Y300-R304 WeakPolarHBondContact O-CB 3.48Å; Y300-R304 PolarHBondContact O-N 3.03Å; Y300-P310 HydrophobicContact CD1-CG 4.31Å; Y300-P310 HydrophobicContact CE1-CB 3.79Å; Y300-P310 HydrophobicContact CE1-CG 3.83Å; Y300-F349 HydrophobicContact CD1-CZ 4.32Å; Y300-F349 HydrophobicContact CD2-CD2 4.46Å; Y300-F349 AromaticContact CD2-CE2 3.35Å; Y300-F349 HydrophobicContact CD2-CE2 3.35Å; Y300-F349 AromaticContact CD2-CZ 3.57Å; Y300-F349 HydrophobicContact CD2-CZ 3.57Å; Y300-F349 HydrophobicContact CE2-CD2 4.48Å; Y300-F349 AromaticContact CE2-CE2 3.46Å; Y300-F349 HydrophobicContact CE2-CE2 3.46Å; Y300-F349 VanDerWaalsContact CE2-CE2 3.46Å; Y300-F349 HydrophobicContact CE2-CZ 4.06Å; Y300-F349 AromaticContact CG-CE2 3.97Å; Y300-F349 HydrophobicContact CG-CE2 3.97Å; Y300-F349 AromaticContact CG-CZ 3.7Å; Y300-F349 HydrophobicContact CG-CZ 3.7Å |
| 301 | S | 94.1 | Very high | 92.2 | Very high | 71 Ų | 71 | 51.8 Ų | 51.8 | 50% | 0.497 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62 | -44.5 | 170.9 | -172.4 | 0 | 0 | 0 | 0 | 111.6 | R297 K298 V299 R304 S305 | R297-S301 WeakPolarHBondContact O-CB 3.33Å; R297-S301 PolarHBondContact O-N 2.93Å; K298-S301 WeakPolarHBondContact O-CB 3.42Å; K298-S301 PolarHBondContact O-N 3Å; V299-S301 PolarHBondContact O-N 3.19Å; S301-R304 PolarHBondContact O-N 3.31Å; S301-S305 PolarHBondContact O-N 2.81Å; S301-S305 PolarHBondContact O-OG 3.29Å |
| 302 | V | 95.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.6 | -49.8 | 175.7 | 177.1 | 0 | 0 | 0 | 0 | 110.7 | L272 R273 L276 K298 V299 R304 S305 L306 | L272-V302 HydrophobicContact CB-CB 4.26Å; L272-V302 HydrophobicContact CB-CG1 3.98Å; L272-V302 HydrophobicContact CB-CG2 3.95Å; L272-V302 HydrophobicContact CD1-CG2 3.9Å; R273-V302 HydrophobicContact CG-CG1 3.84Å; L276-V302 HydrophobicContact CD1-CG1 4.38Å; K298-V302 PolarHBondContact O-N 3.45Å; V299-V302 PolarHBondContact O-N 2.75Å; V302-R304 PolarHBondContact O-N 2.77Å; V302-S305 PolarHBondContact O-N 2.86Å; V302-S305 VanDerWaalsContact O-N 3.11Å; V302-S305 PolarHBondContact O-OG 3.37Å; V302-L306 HydrophobicContact CG1-CD1 3.91Å; V302-L306 HydrophobicContact CG1-CG 4.41Å; V302-L306 WeakPolarHBondContact O-CG 3.4Å; V302-L306 PolarHBondContact O-N 2.8Å |
| 303 | L | 95.3 | Very high | 92.9 | Very high | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -53.1 | -49.2 | 175.2 | -70.2 | 174.2 | 0 | 0 | 0 | 112.4 | L276 V283 V299 Y300 S305 L306 R307 R308 P310 | L276-L303 HydrophobicContact CB-CD2 4.24Å; L276-L303 HydrophobicContact CD1-CD2 3.94Å; L276-L303 HydrophobicContact CD1-CG 4.14Å; V283-L303 HydrophobicContact CB-CD1 3.87Å; V283-L303 HydrophobicContact CG1-CD1 4.3Å; V283-L303 HydrophobicContact CG2-CD1 3.9Å; V283-L303 HydrophobicContact CG2-CD2 4Å; V283-L303 HydrophobicContact CG2-CG 4.35Å; V299-L303 HydrophobicContact CG1-CD1 4.45Å; V299-L303 PolarHBondContact O-N 3.45Å; Y300-L303 HydrophobicContact CD1-CD1 3.95Å; Y300-L303 HydrophobicContact CE1-CD1 4.46Å; Y300-L303 PolarHBondContact O-N 3.31Å; L303-S305 VanDerWaalsContact C-N 3.3Å; L303-S305 PolarHBondContact O-N 3.13Å; L303-L306 CarbonylContact O-C 3.59Å; L303-L306 WeakPolarHBondContact O-CA 3.48Å; L303-L306 WeakPolarHBondContact O-CB 3.49Å; L303-L306 PolarHBondContact O-N 2.9Å; L303-R307 PolarHBondContact O-N 2.79Å; L303-R308 CarbonylContact C-O 3.41Å; L303-R308 VanDerWaalsContact C-O 3.28Å; L303-R308 HydrophobicContact CD2-CB 4.13Å; L303-R308 PolarHBondContact O-N 3.22Å; L303-R308 VanDerWaalsContact O-O 3.11Å; L303-P310 HydrophobicContact CD1-CB 4.27Å |
| 304 | R | 93.6 | Very high | 92.9 | Very high | 146 Ų | 146 | 45.2 Ų | 45.2 | 55% | 0.551 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -57.9 | -42.9 | 178.3 | -175.1 | 179.8 | -178.6 | -176.9 | 1.5 | 111.6 | Y300 S301 V302 L306 R307 | Y300-R304 WeakPolarHBondContact O-CB 3.48Å; Y300-R304 PolarHBondContact O-N 3.03Å; S301-R304 PolarHBondContact O-N 3.31Å; V302-R304 PolarHBondContact O-N 2.77Å; R304-L306 VanDerWaalsContact C-N 3.28Å; R304-L306 PolarHBondContact O-N 3.35Å; R304-R307 PolarHBondContact O-N 2.89Å |
| 305 | S | 94.1 | Very high | 93 | Very high | 61 Ų | 61 | 41.3 Ų | 41.3 | 43% | 0.427 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -69.7 | -22.8 | 177.6 | 73.8 | 0 | 0 | 0 | 0 | 114 | R273 S301 V302 L303 R307 | R273-S305 PolarHBondContact NH1-OG 3.26Å; R273-S305 PolarHBondContact NH2-OG 2.93Å; S301-S305 PolarHBondContact O-N 2.81Å; S301-S305 PolarHBondContact O-OG 3.29Å; V302-S305 PolarHBondContact O-N 2.86Å; V302-S305 VanDerWaalsContact O-N 3.11Å; V302-S305 PolarHBondContact O-OG 3.37Å; L303-S305 VanDerWaalsContact C-N 3.3Å; L303-S305 PolarHBondContact O-N 3.13Å; S305-R307 VanDerWaalsContact C-N 3.29Å |
| 306 | L | 94.9 | Very high | 93 | Very high | 49 Ų | 49 | 40.6 Ų | 40.6 | 26% | 0.257 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 1.6 | 170.6 | -64.5 | 170.1 | 0 | 0 | 0 | 112.8 | L276 V302 L303 R304 R308 | L276-L306 HydrophobicContact CB-CD1 3.87Å; V302-L306 HydrophobicContact CG1-CD1 3.91Å; V302-L306 HydrophobicContact CG1-CG 4.41Å; V302-L306 WeakPolarHBondContact O-CG 3.4Å; V302-L306 PolarHBondContact O-N 2.8Å; L303-L306 CarbonylContact O-C 3.59Å; L303-L306 WeakPolarHBondContact O-CA 3.48Å; L303-L306 WeakPolarHBondContact O-CB 3.49Å; L303-L306 PolarHBondContact O-N 2.9Å; R304-L306 VanDerWaalsContact C-N 3.28Å; R304-L306 PolarHBondContact O-N 3.35Å; L306-R308 HydrophobicContact CB-CG 3.87Å; L306-R308 WeakPolarHBondContact O-CG 3.45Å; L306-R308 PolarHBondContact O-N 3.34Å |
| 307 | R | 93.7 | Very high | 93 | Very high | 194 Ų | 194 | 40.8 Ų | 40.8 | 73% | 0.732 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 32.9 | -170.3 | -56.1 | -177.5 | 177.9 | -174.2 | -1.2 | 113.7 | L303 R304 S305 F354 | L303-R307 PolarHBondContact O-N 2.79Å; R304-R307 PolarHBondContact O-N 2.89Å; S305-R307 VanDerWaalsContact C-N 3.29Å; R307-F354 HydrophobicContact CB-CE1 4.49Å; R307-F354 WeakPolarHBondContact O-CE1 3.39Å; R307-F354 WeakPolarHBondContact O-CZ 3.39Å |
| 308 | R | 94.6 | Very high | 93 | Very high | 9 Ų | 9 | 35.8 Ų | 35.8 | 3% | 0.034 | 17% | 0.173 | C | C | . | . | trans | -111.3 | 158.8 | 176.2 | -47.7 | -168.5 | 88.2 | -173.3 | 6.6 | 110.3 | L276 K278 P279 S281 L303 L306 P331 D332 | L276-R308 WeakPolarHBondContact O-CD 3.33Å; L276-R308 PolarHBondContact O-NH1 3.05Å; K278-R308 PolarHBondContact O-NH1 3.07Å; P279-R308 PolarHBondContact O-NH2 2.86Å; S281-R308 PolarHBondContact O-NH1 2.92Å; S281-R308 VanDerWaalsContact O-NH1 3.11Å; L303-R308 CarbonylContact C-O 3.41Å; L303-R308 VanDerWaalsContact C-O 3.28Å; L303-R308 HydrophobicContact CD2-CB 4.13Å; L303-R308 PolarHBondContact O-N 3.22Å; L303-R308 VanDerWaalsContact O-O 3.11Å; L306-R308 HydrophobicContact CB-CG 3.87Å; L306-R308 WeakPolarHBondContact O-CG 3.45Å; L306-R308 PolarHBondContact O-N 3.34Å; R308-P331 WeakPolarHBondContact CA-O 3.27Å; R308-P331 HydrophobicContact CB-CB 4.43Å; R308-D332 IonicContact CZ-OD1 3.26Å; R308-D332 IonicContact CZ-OD2 3.92Å; R308-D332 IonicContact NE-OD1 3.81Å; R308-D332 PolarHBondContact NE-OD1 3.06Å; R308-D332 IonicContact NE-OD2 2.77Å; R308-D332 IonicContact NH2-OD1 2.69Å; R308-D332 PolarHBondContact NH2-OD1 3.19Å; R308-D332 IonicContact NH2-OD2 3.01Å; R308-D332 PolarHBondContact NH2-OD2 3.42Å | ||
| 309 | R | 93.4 | Very high | 93 | Very high | 3 Ų | 3 | 32 Ų | 32 | 1% | 0.011 | 16% | 0.157 | C | C | . | . | trans | -117.3 | 158.1 | 171.8 | 64.5 | 172.6 | -174 | 93.3 | 3.1 | 111.5 | E315 N330 P331 K333 P353 | R309-E315 IonicContact CZ-OE1 2.79Å; R309-E315 IonicContact CZ-OE2 2.6Å; R309-E315 IonicContact NH1-OE1 2.67Å; R309-E315 PolarHBondContact NH1-OE1 3.32Å; R309-E315 IonicContact NH1-OE2 3.33Å; R309-E315 IonicContact NH2-OE1 2.64Å; R309-E315 PolarHBondContact NH2-OE1 2.91Å; R309-E315 IonicContact NH2-OE2 2.72Å; R309-E315 PolarHBondContact NH2-OE2 3.05Å; R309-N330 PolarHBondContact NE-O 2.83Å; R309-N330 PolarHBondContact NH2-O 2.82Å; R309-P331 WeakPolarHBondContact CG-O 3.07Å; R309-P331 PolarHBondContact N-O 2.85Å; R309-P331 WeakPolarHBondContact O-CB 3.19Å; R309-K333 WeakPolarHBondContact CD-O 3.44Å; R309-K333 PolarHBondContact NE-O 3.44Å; R309-P353 HydrophobicContact CB-CG 3.89Å | ||
| 310 | P | 94.1 | Very high | 93.1 | Very high | 7 Ų | 7 | 32 Ų | 32 | 5% | 0.045 | 16% | 0.157 | C | C | . | . | P | Polyproline II helix | trans | -66.6 | 154.4 | 158.9 | 32 | -35.4 | 0 | 0 | 0 | 110.4 | V283 H285 Y300 L303 F349 | V283-P310 CarbonylContact O-C 3.49Å; V283-P310 WeakPolarHBondContact O-CA 3.32Å; V283-P310 WeakPolarHBondContact O-CB 3.5Å; H285-P310 HydrophobicContact CB-CB 4.18Å; Y300-P310 HydrophobicContact CD1-CG 4.31Å; Y300-P310 HydrophobicContact CE1-CB 3.79Å; Y300-P310 HydrophobicContact CE1-CG 3.83Å; L303-P310 HydrophobicContact CD1-CB 4.27Å; P310-F349 VanDerWaalsContact CD-CZ 3.46Å; P310-F349 HydrophobicContact CG-CE2 3.67Å; P310-F349 HydrophobicContact CG-CZ 3.61Å |
| 311 | I | 93.9 | Very high | 93 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | B | Isolated β-bridge | trans | -100.4 | 147.8 | 175.8 | 60.1 | 160.9 | 0 | 0 | 0 | 110.5 | F220 C282 V283 V284 H285 E315 C329 P331 | F220-I311 HydrophobicContact CD1-CD1 3.85Å; F220-I311 HydrophobicContact CE1-CD1 3.56Å; C282-I311 HydrophobicContact CB-CD1 3.85Å; C282-I311 HydrophobicContact CB-CG1 4.27Å; V283-I311 WeakPolarHBondContact O-CG1 3.47Å; V283-I311 PolarHBondContact O-N 2.75Å; V284-I311 HydrophobicContact CG2-CD1 4.45Å; V284-I311 HydrophobicContact CG2-CG1 4.45Å; H285-I311 WeakPolarHBondContact CB-O 3.25Å; H285-I311 PolarHBondContact N-O 2.82Å; I311-E315 VanDerWaalsContact CA-OE1 3.25Å; I311-E315 WeakPolarHBondContact CA-OE1 3.46Å; I311-E315 WeakPolarHBondContact CB-OE1 3.44Å; I311-C329 HydrophobicContact CD1-CB 3.86Å; I311-P331 HydrophobicContact CG2-CB 4.33Å |
| 312 | L | 90.8 | Very high | 93 | Very high | 3 Ų | 3 | 31.6 Ų | 31.6 | 2% | 0.016 | 15% | 0.145 | C | C | . | . | P | Polyproline II helix | trans | -80.6 | 153.9 | -179.2 | -51.6 | -172.9 | 0 | 0 | 0 | 111.3 | H285 S314 E315 L339 I343 I345 | H285-L312 HydrophobicContact CB-CD2 3.93Å; L312-S314 PolarHBondContact O-N 2.98Å; L312-E315 HydrophobicContact CB-CG 4.27Å; L312-E315 PolarHBondContact N-OE1 3.32Å; L312-E315 WeakPolarHBondContact O-CB 3.39Å; L312-E315 PolarHBondContact O-N 3.46Å; L312-L339 HydrophobicContact CD1-CB 4.03Å; L312-I343 HydrophobicContact CD1-CD1 4.28Å; L312-I343 HydrophobicContact CD2-CD1 3.78Å; L312-I343 HydrophobicContact CG-CD1 4.5Å; L312-I345 HydrophobicContact CD2-CD1 4.19Å |
| 313 | E | 87.9 | Confident | 92.9 | Very high | 46 Ų | 46 | 33.3 Ų | 33.3 | 22% | 0.215 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.5 | -34.8 | 175.5 | -172.9 | 172.1 | 161.6 | 0 | 0 | 111.9 | K227 L231 E315 L316 | K227-E313 WeakPolarHBondContact CD-OE2 3.41Å; K227-E313 WeakPolarHBondContact CE-OE2 3.29Å; K227-E313 IonicContact NZ-OE1 3.41Å; K227-E313 PolarHBondContact NZ-OE1 3.31Å; K227-E313 IonicContact NZ-OE2 2.69Å; K227-E313 PolarHBondContact NZ-OE2 2.66Å; L231-E313 HydrophobicContact CD1-CG 4.39Å; L231-E313 HydrophobicContact CD2-CG 4.04Å; E313-E315 VanDerWaalsContact C-N 3.27Å; E313-E315 PolarHBondContact O-N 3.05Å; E313-L316 WeakPolarHBondContact O-CB 3.37Å; E313-L316 PolarHBondContact O-N 3.28Å |
| 314 | S | 87.4 | Confident | 92.9 | Very high | 26 Ų | 26 | 34.5 Ų | 34.5 | 18% | 0.182 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.3 | -26.3 | 173 | 47.6 | 0 | 0 | 0 | 0 | 113.2 | L312 L316 G317 F318 E342 | L312-S314 PolarHBondContact O-N 2.98Å; S314-L316 VanDerWaalsContact C-N 3.28Å; S314-L316 PolarHBondContact O-N 2.97Å; S314-G317 PolarHBondContact O-N 3.02Å; S314-G317 VanDerWaalsContact O-N 3.11Å; S314-F318 WeakPolarHBondContact O-CD2 3.31Å; S314-F318 PolarHBondContact O-N 3.28Å; S314-E342 WeakPolarHBondContact CB-OE2 3.43Å; S314-E342 PolarHBondContact OG-OE2 3.48Å |
| 315 | E | 91.5 | Very high | 93 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.5 | -30.3 | 173.7 | -72.8 | -178.5 | -104.4 | 0 | 0 | 112.7 | R309 I311 L312 E313 G317 F318 A319 Y328 C329 L339 | R309-E315 IonicContact CZ-OE1 2.79Å; R309-E315 IonicContact CZ-OE2 2.6Å; R309-E315 IonicContact NH1-OE1 2.67Å; R309-E315 PolarHBondContact NH1-OE1 3.32Å; R309-E315 IonicContact NH1-OE2 3.33Å; R309-E315 IonicContact NH2-OE1 2.64Å; R309-E315 PolarHBondContact NH2-OE1 2.91Å; R309-E315 IonicContact NH2-OE2 2.72Å; R309-E315 PolarHBondContact NH2-OE2 3.05Å; I311-E315 VanDerWaalsContact CA-OE1 3.25Å; I311-E315 WeakPolarHBondContact CA-OE1 3.46Å; I311-E315 WeakPolarHBondContact CB-OE1 3.44Å; L312-E315 HydrophobicContact CB-CG 4.27Å; L312-E315 PolarHBondContact N-OE1 3.32Å; L312-E315 WeakPolarHBondContact O-CB 3.39Å; L312-E315 PolarHBondContact O-N 3.46Å; E313-E315 VanDerWaalsContact C-N 3.27Å; E313-E315 PolarHBondContact O-N 3.05Å; E315-G317 VanDerWaalsContact C-N 3.31Å; E315-F318 PolarHBondContact O-N 2.84Å; E315-A319 WeakPolarHBondContact O-CB 3.45Å; E315-A319 PolarHBondContact O-N 2.86Å; E315-Y328 HydrophobicContact CG-CD1 4.38Å; E315-C329 PolarHBondContact O-SG 2.94Å; E315-C329 VanDerWaalsContact O-SG 3.37Å; E315-C329 PolarHBondContact OE2-N 2.88Å; E315-L339 HydrophobicContact CG-CD1 3.81Å |
| 316 | L | 92.1 | Very high | 92.8 | Very high | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.6 | -42.2 | 172.3 | -73.3 | 164.6 | 0 | 0 | 0 | 110.6 | F215 F220 L231 I235 E313 S314 V320 | F215-L316 HydrophobicContact CE1-CD2 4.06Å; F215-L316 HydrophobicContact CE2-CD2 4.19Å; F215-L316 HydrophobicContact CZ-CD2 3.69Å; F220-L316 HydrophobicContact CD1-CD2 4.04Å; F220-L316 HydrophobicContact CE1-CD2 3.52Å; F220-L316 HydrophobicContact CZ-CD2 4Å; L231-L316 HydrophobicContact CD1-CD1 4.19Å; L231-L316 HydrophobicContact CD2-CD1 3.96Å; L231-L316 HydrophobicContact CG-CD1 4.49Å; I235-L316 HydrophobicContact CG1-CD2 4.15Å; E313-L316 WeakPolarHBondContact O-CB 3.37Å; E313-L316 PolarHBondContact O-N 3.28Å; S314-L316 VanDerWaalsContact C-N 3.28Å; S314-L316 PolarHBondContact O-N 2.97Å; L316-V320 WeakPolarHBondContact O-CG2 3.36Å; L316-V320 PolarHBondContact O-N 2.94Å |
| 317 | G | 92.3 | Very high | 92.4 | Very high | 12 Ų | 12 | 35.1 Ų | 35.1 | 12% | 0.124 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.6 | -48.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S314 E315 V320 V321 | S314-G317 PolarHBondContact O-N 3.02Å; S314-G317 VanDerWaalsContact O-N 3.11Å; E315-G317 VanDerWaalsContact C-N 3.31Å; G317-V320 PolarHBondContact O-N 3.05Å; G317-V321 WeakPolarHBondContact O-CG2 3.38Å; G317-V321 PolarHBondContact O-N 3.22Å |
| 318 | F | 91.5 | Very high | 92.3 | Very high | 23 Ų | 23 | 27.3 Ų | 27.3 | 10% | 0.101 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.2 | -35.1 | 178.6 | -77.1 | -67.9 | 0 | 0 | 0 | 113.3 | K196 L197 S314 E315 V320 V321 Y322 Y328 L339 | K196-F318 HydrophobicContact CB-CE1 4.46Å; K196-F318 HydrophobicContact CB-CZ 4.02Å; K196-F318 HydrophobicContact CD-CE2 4.33Å; K196-F318 HydrophobicContact CD-CZ 3.85Å; L197-F318 HydrophobicContact CD2-CE1 4.36Å; S314-F318 WeakPolarHBondContact O-CD2 3.31Å; S314-F318 PolarHBondContact O-N 3.28Å; E315-F318 PolarHBondContact O-N 2.84Å; F318-V320 PolarHBondContact O-N 3.22Å; F318-V321 PolarHBondContact O-N 3.27Å; F318-Y322 HydrophobicContact CD1-CD2 4.16Å; F318-Y322 AromaticContact CD1-CE2 3.88Å; F318-Y322 HydrophobicContact CD1-CE2 3.88Å; F318-Y322 HydrophobicContact CE1-CE2 4.45Å; F318-Y322 WeakPolarHBondContact O-CB 3.49Å; F318-Y322 PolarHBondContact O-N 2.85Å; F318-Y328 HydrophobicContact CB-CD1 3.45Å; F318-Y328 VanDerWaalsContact CB-CD1 3.45Å; F318-Y328 HydrophobicContact CB-CD2 3.84Å; F318-Y328 HydrophobicContact CB-CE1 3.53Å; F318-Y328 HydrophobicContact CB-CE2 3.94Å; F318-Y328 HydrophobicContact CB-CG 3.61Å; F318-Y328 HydrophobicContact CD1-CE1 4.48Å; F318-Y328 HydrophobicContact CG-CD1 4.27Å; F318-Y328 AromaticContact CG-CE1 3.96Å; F318-Y328 HydrophobicContact CG-CE1 3.96Å; F318-L339 HydrophobicContact CD2-CD1 4.11Å; F318-L339 HydrophobicContact CD2-CD2 3.74Å; F318-L339 HydrophobicContact CE2-CD2 3.4Å; F318-L339 VanDerWaalsContact CE2-CD2 3.4Å; F318-L339 HydrophobicContact CZ-CD2 4.14Å |
| 319 | A | 94.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59 | -38 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L214 F215 E315 C323 S324 | L214-A319 HydrophobicContact CD2-CB 4.27Å; L214-A319 WeakPolarHBondContact CD2-O 3.22Å; F215-A319 HydrophobicContact CE1-CB 3.97Å; F215-A319 HydrophobicContact CZ-CB 4.32Å; E315-A319 WeakPolarHBondContact O-CB 3.45Å; E315-A319 PolarHBondContact O-N 2.86Å; A319-C323 CarbonylContact O-C 3.6Å; A319-C323 WeakPolarHBondContact O-CA 3.16Å; A319-C323 PolarHBondContact O-N 3.44Å; A319-S324 PolarHBondContact O-N 3.12Å |
| 320 | V | 95.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -74.4 | -43.6 | 178.3 | 172.1 | 0 | 0 | 0 | 0 | 111.9 | I153 L156 L157 R211 L214 F215 L316 G317 F318 C323 | I153-V320 HydrophobicContact CD1-CB 4.24Å; I153-V320 HydrophobicContact CD1-CG1 4.24Å; I153-V320 HydrophobicContact CG2-CB 4.33Å; I153-V320 HydrophobicContact CG2-CG1 4.27Å; I153-V320 HydrophobicContact CG2-CG2 4.04Å; L156-V320 HydrophobicContact CB-CG1 3.58Å; L156-V320 HydrophobicContact CD1-CG1 3.95Å; L156-V320 HydrophobicContact CG-CG1 4.44Å; L157-V320 HydrophobicContact CD1-CG2 4.08Å; L157-V320 HydrophobicContact CD2-CG1 4.31Å; L157-V320 HydrophobicContact CD2-CG2 3.64Å; L157-V320 HydrophobicContact CG-CG1 3.99Å; L157-V320 HydrophobicContact CG-CG2 3.81Å; R211-V320 VanDerWaalsContact CD-O 3.22Å; R211-V320 WeakPolarHBondContact CD-O 3.42Å; R211-V320 PolarHBondContact NE-O 3.35Å; L214-V320 HydrophobicContact CD2-CB 4.22Å; L214-V320 HydrophobicContact CD2-CG2 3.54Å; F215-V320 HydrophobicContact CE2-CG2 4.15Å; F215-V320 HydrophobicContact CZ-CG2 3.92Å; L316-V320 WeakPolarHBondContact O-CG2 3.36Å; L316-V320 PolarHBondContact O-N 2.94Å; G317-V320 PolarHBondContact O-N 3.05Å; F318-V320 PolarHBondContact O-N 3.22Å; V320-C323 PolarHBondContact O-N 3.07Å |
| 321 | V | 93 | Very high | 92.3 | Very high | 4 Ų | 4 | 27.5 Ų | 27.5 | 2% | 0.024 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.7 | -48.4 | 177.1 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | L156 L197 K204 F205 G317 F318 C323 | L156-V321 HydrophobicContact CD1-CG2 4.2Å; L197-V321 HydrophobicContact CD1-CG1 4.42Å; L197-V321 HydrophobicContact CD2-CG1 4.46Å; K204-V321 HydrophobicContact CB-CG1 4.11Å; K204-V321 HydrophobicContact CD-CG1 4.4Å; F205-V321 HydrophobicContact CE1-CG1 4.47Å; F205-V321 HydrophobicContact CE1-CG2 3.75Å; F205-V321 HydrophobicContact CE2-CG1 4.14Å; F205-V321 HydrophobicContact CZ-CB 4.47Å; F205-V321 HydrophobicContact CZ-CG1 3.83Å; F205-V321 HydrophobicContact CZ-CG2 3.74Å; G317-V321 WeakPolarHBondContact O-CG2 3.38Å; G317-V321 PolarHBondContact O-N 3.22Å; F318-V321 PolarHBondContact O-N 3.27Å; V321-C323 VanDerWaalsContact C-N 3.3Å; V321-C323 PolarHBondContact O-N 2.8Å |
| 322 | Y | 92.5 | Very high | 92.2 | Very high | 72 Ų | 72 | 30.5 Ų | 30.5 | 28% | 0.282 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 4.6 | 178.9 | -70.8 | -86.4 | 0 | 0 | 0 | 114 | L197 D201 K204 F318 S324 Y328 | L197-Y322 HydrophobicContact CD2-CE2 4.14Å; L197-Y322 WeakPolarHBondContact CD2-OH 3.33Å; D201-Y322 PolarHBondContact OD1-OH 3.33Å; K204-Y322 HydrophobicContact CD-CD1 4.02Å; K204-Y322 HydrophobicContact CD-CE1 3.89Å; F318-Y322 HydrophobicContact CD1-CD2 4.16Å; F318-Y322 AromaticContact CD1-CE2 3.88Å; F318-Y322 HydrophobicContact CD1-CE2 3.88Å; F318-Y322 HydrophobicContact CE1-CE2 4.45Å; F318-Y322 WeakPolarHBondContact O-CB 3.49Å; F318-Y322 PolarHBondContact O-N 2.85Å; Y322-S324 PolarHBondContact O-N 3.44Å; Y322-S324 VanDerWaalsContact O-N 3.13Å; Y322-Y328 HydrophobicContact CD2-CD2 4.44Å; Y322-Y328 AromaticContact CD2-CE2 3.52Å; Y322-Y328 HydrophobicContact CD2-CE2 3.52Å; Y322-Y328 AromaticContact CD2-CZ 3.96Å; Y322-Y328 HydrophobicContact CE2-CE2 4.29Å; Y322-Y328 AromaticContact CG-CE2 3.82Å; Y322-Y328 HydrophobicContact CG-CE2 3.82Å |
| 323 | C | 95 | Very high | 92.1 | Very high | 37 Ų | 37 | 36.4 Ų | 36.4 | 25% | 0.25 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45 | 41.1 | -177.5 | -162.7 | 0 | 0 | 0 | 0 | 114 | R211 L214 A319 V320 V321 | R211-C323 HydrophobicContact CG-CB 4.36Å; L214-C323 VanDerWaalsContact CD1-C 3.44Å; A319-C323 CarbonylContact O-C 3.6Å; A319-C323 WeakPolarHBondContact O-CA 3.16Å; A319-C323 PolarHBondContact O-N 3.44Å; V320-C323 PolarHBondContact O-N 3.07Å; V321-C323 VanDerWaalsContact C-N 3.3Å; V321-C323 PolarHBondContact O-N 2.8Å |
| 324 | S | 94.3 | Very high | 92 | Very high | 28 Ų | 28 | 40.5 Ų | 40.5 | 20% | 0.196 | 20% | 0.195 | C | C | . | . | trans | -147.8 | 115.3 | -172.3 | -169.8 | 0 | 0 | 0 | 0 | 114.5 | A319 Y322 K326 | A319-S324 PolarHBondContact O-N 3.12Å; Y322-S324 PolarHBondContact O-N 3.44Å; Y322-S324 VanDerWaalsContact O-N 3.13Å; S324-K326 PolarHBondContact O-N 3.46Å; S324-K326 PolarHBondContact OG-N 3.04Å | ||
| 325 | T | 94.7 | Very high | 91.8 | Very high | 35 Ų | 35 | 39.5 Ų | 39.5 | 22% | 0.215 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 11.5 | 167.9 | 62.8 | 0 | 0 | 0 | 0 | 114.1 | L214 F215 K218 Y328 | L214-T325 HydrophobicContact CD1-CG2 3.89Å; L214-T325 HydrophobicContact CG-CG2 4Å; L214-T325 WeakPolarHBondContact O-CG2 3.25Å; F215-T325 HydrophobicContact CD1-CG2 3.69Å; F215-T325 HydrophobicContact CE1-CG2 3.93Å; K218-T325 HydrophobicContact CD-CG2 4.46Å; K218-T325 PolarHBondContact NZ-O 3.45Å; T325-Y328 CarbonylContact C-O 3.54Å; T325-Y328 WeakPolarHBondContact CA-O 3.33Å |
| 326 | K | 91.8 | Very high | 91.2 | Very high | 167 Ų | 167 | 41 Ų | 41 | 73% | 0.726 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -38 | 174.8 | -176.1 | 178.9 | 178.8 | 179.5 | 0 | 111.1 | S324 N330 | S324-K326 PolarHBondContact O-N 3.46Å; S324-K326 PolarHBondContact OG-N 3.04Å; K326-N330 PolarHBondContact O-ND2 2.69Å |
| 327 | L | 86.5 | Confident | 90.2 | Very high | 67 Ų | 67 | 48.5 Ų | 48.5 | 35% | 0.351 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -41.8 | 177.9 | -61.7 | 176.5 | 0 | 0 | 0 | 112 | P336 | L327-P336 WeakPolarHBondContact O-CG 3.32Š|
| 328 | Y | 91.1 | Very high | 89 | Confident | 31 Ų | 31 | 49.2 Ų | 49.2 | 12% | 0.122 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -120.2 | 161.3 | -179 | -53.8 | -79.5 | 0 | 0 | 0 | 109.9 | E315 F318 Y322 T325 N330 P336 L339 | E315-Y328 HydrophobicContact CG-CD1 4.38Å; F318-Y328 HydrophobicContact CB-CD1 3.45Å; F318-Y328 VanDerWaalsContact CB-CD1 3.45Å; F318-Y328 HydrophobicContact CB-CD2 3.84Å; F318-Y328 HydrophobicContact CB-CE1 3.53Å; F318-Y328 HydrophobicContact CB-CE2 3.94Å; F318-Y328 HydrophobicContact CB-CG 3.61Å; F318-Y328 HydrophobicContact CD1-CE1 4.48Å; F318-Y328 HydrophobicContact CG-CD1 4.27Å; F318-Y328 AromaticContact CG-CE1 3.96Å; F318-Y328 HydrophobicContact CG-CE1 3.96Å; Y322-Y328 HydrophobicContact CD2-CD2 4.44Å; Y322-Y328 AromaticContact CD2-CE2 3.52Å; Y322-Y328 HydrophobicContact CD2-CE2 3.52Å; Y322-Y328 AromaticContact CD2-CZ 3.96Å; Y322-Y328 HydrophobicContact CE2-CE2 4.29Å; Y322-Y328 AromaticContact CG-CE2 3.82Å; Y322-Y328 HydrophobicContact CG-CE2 3.82Å; T325-Y328 CarbonylContact C-O 3.54Å; T325-Y328 WeakPolarHBondContact CA-O 3.33Å; Y328-N330 PolarHBondContact O-N 3.43Å; Y328-P336 HydrophobicContact CD1-CG 3.8Å; Y328-P336 HydrophobicContact CE1-CB 4.02Å; Y328-P336 HydrophobicContact CE1-CG 3.73Å; Y328-L339 HydrophobicContact CD1-CD1 4.01Å; Y328-L339 HydrophobicContact CE1-CD1 4Å |
| 329 | C | 93.8 | Very high | 88 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | S | Bend | trans | 53.7 | 36.9 | -174.1 | -59.2 | 0 | 0 | 0 | 0 | 112.2 | K218 F220 I311 E315 | K218-C329 PolarHBondContact NZ-O 3.28Å; F220-C329 HydrophobicContact CE1-CB 4.2Å; F220-C329 HydrophobicContact CZ-CB 4.38Å; I311-C329 HydrophobicContact CD1-CB 3.86Å; E315-C329 PolarHBondContact O-SG 2.94Å; E315-C329 VanDerWaalsContact O-SG 3.37Å; E315-C329 PolarHBondContact OE2-N 2.88Å |
| 330 | N | 93.5 | Very high | 86.3 | Confident | 20 Ų | 20 | 51.6 Ų | 51.6 | 11% | 0.107 | 26% | 0.255 | C | S | . | . | trans | -118.4 | 99.4 | -178.4 | -168.8 | -18.1 | 0 | 0 | 0 | 109.8 | R309 K326 Y328 D332 K333 | R309-N330 PolarHBondContact NE-O 2.83Å; R309-N330 PolarHBondContact NH2-O 2.82Å; K326-N330 PolarHBondContact O-ND2 2.69Å; Y328-N330 PolarHBondContact O-N 3.43Å; N330-D332 PolarHBondContact O-N 2.81Å; N330-D332 PolarHBondContact OD1-N 2.98Å; N330-K333 HydrophobicContact CB-CG 4.49Å; N330-K333 WeakPolarHBondContact ND2-CG 3.44Å | ||
| 331 | P | 94.4 | Very high | 84.1 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.013 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -10.6 | -176.4 | 33.6 | -37.8 | 0 | 0 | 0 | 113.3 | R308 R309 I311 | R308-P331 WeakPolarHBondContact CA-O 3.27Å; R308-P331 HydrophobicContact CB-CB 4.43Å; R309-P331 WeakPolarHBondContact CG-O 3.07Å; R309-P331 PolarHBondContact N-O 2.85Å; R309-P331 WeakPolarHBondContact O-CB 3.19Å; I311-P331 HydrophobicContact CG2-CB 4.33Å |
| 332 | D | 92.8 | Very high | 82.1 | Confident | 63 Ų | 63 | 63.1 Ų | 63.1 | 34% | 0.337 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 9.3 | -177.3 | -51.7 | -55.6 | 0 | 0 | 0 | 112.7 | R308 N330 | R308-D332 IonicContact CZ-OD1 3.26Å; R308-D332 IonicContact CZ-OD2 3.92Å; R308-D332 IonicContact NE-OD1 3.81Å; R308-D332 PolarHBondContact NE-OD1 3.06Å; R308-D332 IonicContact NE-OD2 2.77Å; R308-D332 IonicContact NH2-OD1 2.69Å; R308-D332 PolarHBondContact NH2-OD1 3.19Å; R308-D332 IonicContact NH2-OD2 3.01Å; R308-D332 PolarHBondContact NH2-OD2 3.42Å; N330-D332 PolarHBondContact O-N 2.81Å; N330-D332 PolarHBondContact OD1-N 2.98Å |
| 333 | K | 88.7 | Confident | 79.8 | Confident | 128 Ų | 128 | 62.1 Ų | 62.1 | 56% | 0.557 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -128.3 | 158.8 | 174 | -60.8 | -62.7 | 169.4 | -161.6 | 0 | 109.6 | R309 N330 | R309-K333 WeakPolarHBondContact CD-O 3.44Å; R309-K333 PolarHBondContact NE-O 3.44Å; N330-K333 HydrophobicContact CB-CG 4.49Å; N330-K333 WeakPolarHBondContact ND2-CG 3.44Å |
| 334 | R | 85.3 | Confident | 77.1 | Confident | 132 Ų | 132 | 66.6 Ų | 66.6 | 50% | 0.498 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 145.1 | 165.9 | -67.1 | -178.6 | 176.3 | -176.9 | 2 | 108.9 | F354 Q355 | R334-F354 HydrophobicContact CG-CB 4.03Å; R334-F354 HydrophobicContact CG-CD2 3.81Å; R334-F354 HydrophobicContact CG-CG 4.25Å; R334-F354 PolarHBondContact NH2-O 3.21Å; R334-Q355 VanDerWaalsContact NH2-CG 3.29Å |
| 335 | C | 82.4 | Confident | 74.6 | Confident | 4 Ų | 4 | 65.9 Ų | 65.9 | 3% | 0.027 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 140.2 | 172.2 | -167.9 | 0 | 0 | 0 | 0 | 108.9 | Y340 | C335-Y340 HydrophobicContact CB-CD2 4Å; C335-Y340 HydrophobicContact CB-CE1 4.21Å; C335-Y340 HydrophobicContact CB-CE2 3.46Å; C335-Y340 VanDerWaalsContact CB-CE2 3.46Å |
| 336 | P | 78.7 | Confident | 71.6 | Confident | 33 Ų | 33 | 68 Ų | 68 | 21% | 0.214 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -55.2 | 140.1 | 175.4 | -29.5 | 37.7 | 0 | 0 | 0 | 112.9 | L327 Y328 L339 | L327-P336 WeakPolarHBondContact O-CG 3.32Å; Y328-P336 HydrophobicContact CD1-CG 3.8Å; Y328-P336 HydrophobicContact CE1-CB 4.02Å; Y328-P336 HydrophobicContact CE1-CG 3.73Å; P336-L339 HydrophobicContact CB-CD1 4.2Å; P336-L339 HydrophobicContact CB-CG 4.33Å; P336-L339 HydrophobicContact CG-CD1 4.39Å; P336-L339 WeakPolarHBondContact O-CB 3.13Å; P336-L339 PolarHBondContact O-N 2.68Å |
| 337 | D | 70.5 | Confident | 69.1 | Low | 161 Ų | 161 | 63.6 Ų | 63.6 | 86% | 0.861 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 148 | -178.1 | -60.8 | -56.7 | 0 | 0 | 0 | 111.6 | L339 | D337-L339 PolarHBondContact O-N 3.24Š|
| 338 | G | 67.6 | Low | 66.8 | Low | 27 Ų | 27 | 64.2 Ų | 64.2 | 28% | 0.278 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | -11 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | K196 | K196-G338 WeakPolarHBondContact CE-O 3.5Å; K196-G338 PolarHBondContact NZ-O 2.82Å |
| 339 | L | 70.1 | Confident | 64.2 | Low | 7 Ų | 7 | 64.6 Ų | 64.6 | 4% | 0.037 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -38.3 | 169.7 | -58.3 | -166.2 | 0 | 0 | 0 | 112.3 | K196 L312 E315 F318 Y328 P336 D337 Q341 E342 | K196-L339 HydrophobicContact CD-CD2 4.38Å; L312-L339 HydrophobicContact CD1-CB 4.03Å; E315-L339 HydrophobicContact CG-CD1 3.81Å; F318-L339 HydrophobicContact CD2-CD1 4.11Å; F318-L339 HydrophobicContact CD2-CD2 3.74Å; F318-L339 HydrophobicContact CE2-CD2 3.4Å; F318-L339 VanDerWaalsContact CE2-CD2 3.4Å; F318-L339 HydrophobicContact CZ-CD2 4.14Å; Y328-L339 HydrophobicContact CD1-CD1 4.01Å; Y328-L339 HydrophobicContact CE1-CD1 4Å; P336-L339 HydrophobicContact CB-CD1 4.2Å; P336-L339 HydrophobicContact CB-CG 4.33Å; P336-L339 HydrophobicContact CG-CD1 4.39Å; P336-L339 WeakPolarHBondContact O-CB 3.13Å; P336-L339 PolarHBondContact O-N 2.68Å; D337-L339 PolarHBondContact O-N 3.24Å; L339-Q341 PolarHBondContact O-N 2.79Å; L339-Q341 VanDerWaalsContact O-N 3.07Å; L339-E342 WeakPolarHBondContact O-CB 3.33Å; L339-E342 PolarHBondContact O-N 2.94Å; L339-E342 VanDerWaalsContact O-N 3.12Å |
| 340 | Y | 58.9 | Low | 61.3 | Low | 65 Ų | 65 | 69.3 Ų | 69.3 | 26% | 0.255 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -58 | -23.3 | 176.2 | -84.7 | -54.9 | 0 | 0 | 0 | 114.1 | C335 E342 I343 I345 | C335-Y340 HydrophobicContact CB-CD2 4Å; C335-Y340 HydrophobicContact CB-CE1 4.21Å; C335-Y340 HydrophobicContact CB-CE2 3.46Å; C335-Y340 VanDerWaalsContact CB-CE2 3.46Å; Y340-E342 PolarHBondContact O-N 3.22Å; Y340-I343 PolarHBondContact O-N 3.36Å; Y340-I343 VanDerWaalsContact O-O 3.07Å; Y340-I345 HydrophobicContact CD1-CD1 3.63Å; Y340-I345 HydrophobicContact CD1-CG1 4.4Å; Y340-I345 HydrophobicContact CE1-CD1 3.9Å |
| 341 | Q | 51.1 | Low | 58.5 | Low | 170 Ų | 170 | 71.4 Ų | 71.4 | 79% | 0.794 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -70.3 | -8 | 179 | -66.5 | 176.9 | -8.1 | 0 | 0 | 114 | L339 I343 | L339-Q341 PolarHBondContact O-N 2.79Å; L339-Q341 VanDerWaalsContact O-N 3.07Å; Q341-I343 VanDerWaalsContact C-N 3.33Å |
| 342 | E | 49.5 | Very low | 55.9 | Low | 77 Ų | 77 | 72.3 Ų | 72.3 | 36% | 0.36 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -79.9 | -12.7 | 177.8 | -66.7 | 175.8 | 168.7 | 0 | 0 | 113.6 | K196 S314 L339 Y340 | K196-E342 VanDerWaalsContact NZ-CD 3.33Å; K196-E342 IonicContact NZ-OE1 2.68Å; K196-E342 PolarHBondContact NZ-OE1 2.97Å; S314-E342 WeakPolarHBondContact CB-OE2 3.43Å; S314-E342 PolarHBondContact OG-OE2 3.48Å; L339-E342 WeakPolarHBondContact O-CB 3.33Å; L339-E342 PolarHBondContact O-N 2.94Å; L339-E342 VanDerWaalsContact O-N 3.12Å; Y340-E342 PolarHBondContact O-N 3.22Å |
| 343 | I | 44.4 | Very low | 53.2 | Low | 50 Ų | 50 | 70.4 Ų | 70.4 | 26% | 0.256 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -142.7 | 137 | -172.3 | -51 | 157.8 | 0 | 0 | 0 | 109.4 | L312 Y340 Q341 I345 | L312-I343 HydrophobicContact CD1-CD1 4.28Å; L312-I343 HydrophobicContact CD2-CD1 3.78Å; L312-I343 HydrophobicContact CG-CD1 4.5Å; Y340-I343 PolarHBondContact O-N 3.36Å; Y340-I343 VanDerWaalsContact O-O 3.07Å; Q341-I343 VanDerWaalsContact C-N 3.33Å; I343-I345 HydrophobicContact CB-CD1 4.01Å; I343-I345 HydrophobicContact CB-CG1 3.64Å; I343-I345 HydrophobicContact CD1-CD1 4.06Å; I343-I345 HydrophobicContact CG2-CD1 4.28Å; I343-I345 HydrophobicContact CG2-CG1 3.73Å; I343-I345 WeakPolarHBondContact O-CG1 3.18Å; I343-I345 PolarHBondContact O-N 2.9Å |
| 344 | D | 39.5 | Very low | 50.9 | Low | 132 Ų | 132 | 67.3 Ų | 67.3 | 71% | 0.706 | 38% | 0.379 | S | S | * | . | trans | -74.8 | 67.4 | 171.4 | -170 | 12.2 | 0 | 0 | 0 | 111.5 | S346 | D344-S346 PolarHBondContact O-N 3.18Å; D344-S346 WeakPolarHBondContact OD1-CB 3.44Å; D344-S346 PolarHBondContact OD1-OG 3.46Å | ||
| 345 | I | 41.9 | Very low | 48.6 | Very low | 12 Ų | 12 | 64.9 Ų | 64.9 | 6% | 0.062 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -78.8 | 3.1 | 179.1 | -19.4 | -166.5 | 0 | 0 | 0 | 112.2 | L312 Y340 I343 G347 T348 F349 S350 | L312-I345 HydrophobicContact CD2-CD1 4.19Å; Y340-I345 HydrophobicContact CD1-CD1 3.63Å; Y340-I345 HydrophobicContact CD1-CG1 4.4Å; Y340-I345 HydrophobicContact CE1-CD1 3.9Å; I343-I345 HydrophobicContact CB-CD1 4.01Å; I343-I345 HydrophobicContact CB-CG1 3.64Å; I343-I345 HydrophobicContact CD1-CD1 4.06Å; I343-I345 HydrophobicContact CG2-CD1 4.28Å; I343-I345 HydrophobicContact CG2-CG1 3.73Å; I343-I345 WeakPolarHBondContact O-CG1 3.18Å; I343-I345 PolarHBondContact O-N 2.9Å; I345-G347 PolarHBondContact O-N 3.34Å; I345-G347 VanDerWaalsContact O-N 3.12Å; I345-T348 PolarHBondContact O-N 3.38Å; I345-T348 VanDerWaalsContact O-N 3.09Å; I345-F349 HydrophobicContact CB-CB 4.48Å; I345-F349 HydrophobicContact CG2-CB 3.76Å; I345-F349 HydrophobicContact CG2-CD2 3.69Å; I345-F349 HydrophobicContact CG2-CG 4.23Å; I345-F349 CarbonylContact O-C 3.21Å; I345-F349 VanDerWaalsContact O-C 3.3Å; I345-F349 PolarHBondContact O-N 2.93Å; I345-S350 PolarHBondContact O-N 3.45Å |
| 346 | S | 31.2 | Very low | 46.2 | Very low | 81 Ų | 81 | 70.7 Ų | 70.7 | 57% | 0.566 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -52.2 | -31.7 | 177.9 | -39 | 0 | 0 | 0 | 0 | 112.9 | D344 S350 | D344-S346 PolarHBondContact O-N 3.18Å; D344-S346 WeakPolarHBondContact OD1-CB 3.44Å; D344-S346 PolarHBondContact OD1-OG 3.46Å; S346-S350 VanDerWaalsContact O-CB 3.23Å; S346-S350 WeakPolarHBondContact O-CB 3.33Å |
| 347 | G | 38.8 | Very low | 43.9 | Very low | 73 Ų | 73 | 74.7 Ų | 74.7 | 75% | 0.753 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -81.1 | -30 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | I345 | I345-G347 PolarHBondContact O-N 3.34Å; I345-G347 VanDerWaalsContact O-N 3.12Å |
| 348 | T | 37.8 | Very low | 42 | Very low | 81 Ų | 81 | 72.2 Ų | 72.2 | 50% | 0.497 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123 | -21.4 | -166.2 | -15.7 | 0 | 0 | 0 | 0 | 114.5 | I345 | I345-T348 PolarHBondContact O-N 3.38Å; I345-T348 VanDerWaalsContact O-N 3.09Å |
| 349 | F | 36.4 | Very low | 40.4 | Very low | 38 Ų | 38 | 79 Ų | 79 | 17% | 0.167 | 44% | 0.442 | C | S | . | . | trans | -133.5 | 47.7 | 165.5 | -71.8 | -84.5 | 0 | 0 | 0 | 110.1 | Y300 P310 I345 V351 | Y300-F349 HydrophobicContact CD1-CZ 4.32Å; Y300-F349 HydrophobicContact CD2-CD2 4.46Å; Y300-F349 AromaticContact CD2-CE2 3.35Å; Y300-F349 HydrophobicContact CD2-CE2 3.35Å; Y300-F349 AromaticContact CD2-CZ 3.57Å; Y300-F349 HydrophobicContact CD2-CZ 3.57Å; Y300-F349 HydrophobicContact CE2-CD2 4.48Å; Y300-F349 AromaticContact CE2-CE2 3.46Å; Y300-F349 HydrophobicContact CE2-CE2 3.46Å; Y300-F349 VanDerWaalsContact CE2-CE2 3.46Å; Y300-F349 HydrophobicContact CE2-CZ 4.06Å; Y300-F349 AromaticContact CG-CE2 3.97Å; Y300-F349 HydrophobicContact CG-CE2 3.97Å; Y300-F349 AromaticContact CG-CZ 3.7Å; Y300-F349 HydrophobicContact CG-CZ 3.7Å; P310-F349 VanDerWaalsContact CD-CZ 3.46Å; P310-F349 HydrophobicContact CG-CE2 3.67Å; P310-F349 HydrophobicContact CG-CZ 3.61Å; I345-F349 HydrophobicContact CB-CB 4.48Å; I345-F349 HydrophobicContact CG2-CB 3.76Å; I345-F349 HydrophobicContact CG2-CD2 3.69Å; I345-F349 HydrophobicContact CG2-CG 4.23Å; I345-F349 CarbonylContact O-C 3.21Å; I345-F349 VanDerWaalsContact O-C 3.3Å; I345-F349 PolarHBondContact O-N 2.93Å; F349-V351 PolarHBondContact O-N 3.07Å | ||
| 350 | S | 34.4 | Very low | 38.7 | Very low | 99 Ų | 99 | 84.4 Ų | 84.4 | 69% | 0.692 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -50.4 | -21.2 | 167.5 | -171 | 0 | 0 | 0 | 0 | 113.3 | I345 S346 | I345-S350 PolarHBondContact O-N 3.45Å; S346-S350 VanDerWaalsContact O-CB 3.23Å; S346-S350 WeakPolarHBondContact O-CB 3.33Å |
| 351 | V | 34.1 | Very low | 37.4 | Very low | 65 Ų | 65 | 87.8 Ų | 87.8 | 39% | 0.394 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -119.5 | 108.4 | 178.5 | -168.9 | 0 | 0 | 0 | 0 | 107.5 | F349 Q355 | F349-V351 PolarHBondContact O-N 3.07Å; V351-Q355 WeakPolarHBondContact CG1-O 3.5Å |
| 352 | N | 40.6 | Very low | 36.5 | Very low | 21 Ų | 21 | 85.2 Ų | 85.2 | 11% | 0.112 | 50% | 0.497 | C | S | . | . | trans | -51.2 | 127.4 | 165.4 | -179 | -2.8 | 0 | 0 | 0 | 107.6 | F354 Q355 | N352-F354 PolarHBondContact O-N 2.98Å; N352-Q355 HydrophobicContact CB-CB 4.17Å; N352-Q355 HydrophobicContact CB-CG 4.21Å; N352-Q355 PolarHBondContact ND2-OE1 3.36Å; N352-Q355 PolarHBondContact O-N 2.85Å | ||
| 353 | P | 36 | Very low | 35.6 | Very low | 22 Ų | 22 | 86 Ų | 86 | 14% | 0.143 | 51% | 0.511 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -6.3 | -172 | 20.6 | -31.2 | 0 | 0 | 0 | 114.6 | R309 | R309-P353 HydrophobicContact CB-CG 3.89Š|
| 354 | F | 40.2 | Very low | 34.9 | Very low | 64 Ų | 64 | 86.8 Ų | 86.8 | 28% | 0.281 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | 18.5 | 173.7 | -50.1 | -76.5 | 0 | 0 | 0 | 113.9 | R307 R334 N352 | R307-F354 HydrophobicContact CB-CE1 4.49Å; R307-F354 WeakPolarHBondContact O-CE1 3.39Å; R307-F354 WeakPolarHBondContact O-CZ 3.39Å; R334-F354 HydrophobicContact CG-CB 4.03Å; R334-F354 HydrophobicContact CG-CD2 3.81Å; R334-F354 HydrophobicContact CG-CG 4.25Å; R334-F354 PolarHBondContact NH2-O 3.21Å; N352-F354 PolarHBondContact O-N 2.98Å |
| 355 | Q | 35.5 | Very low | 34.6 | Very low | 80 Ų | 80 | 89.6 Ų | 89.6 | 37% | 0.374 | 54% | 0.537 | S | S | . | . | trans | -132.7 | 77.2 | 172.7 | -70.1 | 177.5 | -105.2 | 0 | 0 | 109.3 | R334 V351 N352 | R334-Q355 VanDerWaalsContact NH2-CG 3.29Å; V351-Q355 WeakPolarHBondContact CG1-O 3.5Å; N352-Q355 HydrophobicContact CB-CB 4.17Å; N352-Q355 HydrophobicContact CB-CG 4.21Å; N352-Q355 PolarHBondContact ND2-OE1 3.36Å; N352-Q355 PolarHBondContact O-N 2.85Å | ||
| 356 | I | 33.5 | Very low | 34.1 | Very low | 127 Ų | 127 | 93.8 Ų | 93.8 | 65% | 0.651 | 57% | 0.567 | S | S | * | * | trans | -98.3 | 100.1 | 158.5 | -61.8 | 175 | 0 | 0 | 0 | 104.8 | ||||
| 357 | D | 29.9 | Very low | 34.2 | Very low | 116 Ų | 116 | 98.5 Ų | 98.5 | 62% | 0.62 | 58% | 0.58 | S | S | * | * | trans | -71.7 | 140.5 | 172.1 | -59.4 | -50.5 | 0 | 0 | 0 | 109 | E359 | D357-E359 PolarHBondContact O-N 2.77Š| ||
| 358 | S | 31 | Very low | 33.8 | Very low | 109 Ų | 109 | 103.4 Ų | 103.4 | 76% | 0.762 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 13.9 | -154.9 | -55.4 | 0 | 0 | 0 | 0 | 117 | ||
| 359 | E | 34.1 | Very low | 33.5 | Very low | 171 Ų | 171 | 103.9 Ų | 103.9 | 80% | 0.799 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -10.7 | -165.2 | -59 | -167 | 142.5 | 0 | 0 | 114.8 | D357 I361 | D357-E359 PolarHBondContact O-N 2.77Å; E359-I361 PolarHBondContact O-N 2.87Å |
| 360 | V | 33.8 | Very low | 33.1 | Very low | 119 Ų | 119 | 110.3 Ų | 110.3 | 72% | 0.721 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | 18 | -173.1 | -154.7 | 0 | 0 | 0 | 0 | 113.8 | ||
| 361 | I | 31.8 | Very low | 32.9 | Very low | 137 Ų | 137 | 110.3 Ų | 110.3 | 70% | 0.703 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | -22.4 | 177.6 | -64.8 | 179.5 | 0 | 0 | 0 | 112 | E359 S363 | E359-I361 PolarHBondContact O-N 2.87Å; I361-S363 PolarHBondContact O-N 3.48Å |
| 362 | S | 32.2 | Very low | 33 | Very low | 116 Ų | 116 | 113.3 Ų | 113.3 | 81% | 0.811 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -2.5 | -171.5 | -55.6 | 0 | 0 | 0 | 0 | 115.9 | ||
| 363 | S | 31.2 | Very low | 32.8 | Very low | 94 Ų | 94 | 120.3 Ų | 120.3 | 66% | 0.657 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.2 | 3.1 | -169.5 | 60.8 | 0 | 0 | 0 | 0 | 115.7 | I361 | I361-S363 PolarHBondContact O-N 3.48Š|
| 364 | G | 29.6 | Very low | 32.7 | Very low | 65 Ų | 65 | 122.3 Ų | 122.3 | 67% | 0.67 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -115.2 | -7.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 365 | F | 32.4 | Very low | 32.3 | Very low | 192 Ų | 192 | 123.8 Ų | 123.8 | 84% | 0.842 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -102.9 | 2.1 | -166.7 | -116.4 | -87.9 | 0 | 0 | 0 | 115.6 | ||
| 366 | S | 31.1 | Very low | 32.3 | Very low | 99 Ų | 99 | 128 Ų | 128 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -99.8 | 17.4 | -169.5 | 48.3 | 0 | 0 | 0 | 0 | 115.3 | ||
| 367 | Q | 33.2 | Very low | 32.6 | Very low | 180 Ų | 180 | 129.1 Ų | 129.1 | 84% | 0.841 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -123.8 | 7.4 | -174.2 | -70.2 | -171.1 | -18.9 | 0 | 0 | 115.7 | ||
| 368 | L | 31.7 | Very low | 33 | Very low | 176 Ų | 176 | 128.9 Ų | 128.9 | 92% | 0.921 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -123.3 | 17.8 | -177.1 | -72 | 174.5 | 0 | 0 | 0 | 115 | ||
| 369 | S | 29.9 | Very low | 33.2 | Very low | 91 Ų | 91 | 130.9 Ų | 130.9 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -128.6 | 88 | 171.6 | 59.9 | 0 | 0 | 0 | 0 | 110.5 | ||
| 370 | N | 28.9 | Very low | 33.2 | Very low | 173 Ų | 173 | 127.7 Ų | 127.7 | 93% | 0.925 | 77% | 0.768 | S | S | * | * | trans | 171.8 | 83.7 | 153.1 | -89.6 | -15.6 | 0 | 0 | 0 | 110.7 | ||||
| 371 | A | 29.6 | Very low | 33.3 | Very low | 99 Ų | 99 | 126.1 Ų | 126.1 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | -156.8 | 99.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 372 | V | 36.3 | Very low | 33.3 | Very low | 128 Ų | 128 | 126.8 Ų | 126.8 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | 176.3 | 117.7 | 158.9 | 139.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 373 | I | 37.6 | Very low | 33.4 | Very low | 169 Ų | 169 | 132.9 Ų | 132.9 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | trans | 61.2 | 134.8 | 169 | -54.3 | 160.3 | 0 | 0 | 0 | 116.1 | ||||
| 374 | G | 32.8 | Very low | 33.4 | Very low | 63 Ų | 63 | 135.6 Ų | 135.6 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | cis | 153.3 | 131.9 | -6.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 375 | A | 32.7 | Very low | 33.6 | Very low | 95 Ų | 95 | 142.8 Ų | 142.8 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | 63.5 | 151.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 376 | E | 35.1 | Very low | 33.4 | Very low | 169 Ų | 169 | 138.6 Ų | 138.6 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | cis | -155.2 | 140.7 | -11 | -119.4 | 169.2 | -154.8 | 0 | 0 | 110.7 | ||||
| 377 | I | 40.1 | Very low | 33.5 | Very low | 151 Ų | 151 | 138.4 Ų | 138.4 | 77% | 0.774 | 79% | 0.792 | S | S | * | * | trans | 58.2 | 135.6 | 151.8 | -63.3 | 168.5 | 0 | 0 | 0 | 120 | ||||
| 378 | P | 37 | Very low | 33.3 | Very low | 111 Ų | 111 | 139 Ų | 139 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | trans | -105.4 | 175.3 | -176.7 | 42.1 | -36.7 | 0 | 0 | 0 | 114.4 | ||||
| 379 | D | 36.5 | Very low | 33.3 | Very low | 150 Ų | 150 | 138.9 Ų | 138.9 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | -165.9 | 141.6 | 120.8 | -130.9 | -25.3 | 0 | 0 | 0 | 118.9 | |||||
| 380 | S | 33.7 | Very low | 33.5 | Very low | 104 Ų | 104 | 142.5 Ų | 142.5 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | 69.5 | 157.6 | 142.1 | 84 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 381 | A | 36.9 | Very low | 33.5 | Very low | 86 Ų | 86 | 140.4 Ų | 140.4 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | trans | 83 | 75.5 | 146.9 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 382 | N | 30.7 | Very low | 33.6 | Very low | 151 Ų | 151 | 141.6 Ų | 141.6 | 81% | 0.807 | 78% | 0.779 | S | S | * | * | 11.6 | 133.3 | 129 | -74.7 | -41.7 | 0 | 0 | 0 | 120.3 | |||||
| 383 | R | 34.6 | Very low | 33.3 | Very low | 245 Ų | 245 | 143.9 Ų | 143.9 | 93% | 0.925 | 78% | 0.781 | S | S | * | * | -171.2 | 143.3 | 105.1 | -99.2 | 161 | -157 | -151 | 4.5 | 113.8 | |||||
| 384 | N | 31.8 | Very low | 33.2 | Very low | 151 Ų | 151 | 141.3 Ų | 141.3 | 81% | 0.807 | 78% | 0.778 | S | S | * | * | trans | -77.2 | 153.9 | 169.5 | -55.6 | -60.1 | 0 | 0 | 0 | 111.1 | ||||
| 385 | F | 33.1 | Very low | 33.3 | Very low | 215 Ų | 215 | 145.1 Ų | 145.1 | 94% | 0.943 | 78% | 0.783 | S | S | * | * | trans | -152.7 | 151.9 | 135.6 | -115.6 | -75.3 | 0 | 0 | 0 | 112.1 | ||||
| 386 | S | 27.9 | Very low | 33.5 | Very low | 104 Ų | 104 | 150 Ų | 150 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -141.8 | 140 | 179.9 | 167.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 387 | S | 33.2 | Very low | 33.4 | Very low | 96 Ų | 96 | 145.3 Ų | 145.3 | 67% | 0.671 | 78% | 0.784 | S | S | * | * | trans | 174.9 | 138.4 | 130.2 | 55.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 388 | K | 29.3 | Very low | 33.2 | Very low | 193 Ų | 193 | 145.5 Ų | 145.5 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | trans | 40.1 | 127.9 | 132.6 | -54.6 | 169.4 | -180 | 170.8 | 0 | 120.6 | ||||
| 389 | M | 31.4 | Very low | 33.1 | Very low | 173 Ų | 173 | 148.9 Ų | 148.9 | 85% | 0.852 | 79% | 0.789 | S | S | * | * | 155 | 153.7 | 116 | -85.6 | 178.4 | 70 | 0 | 0 | 109.8 | |||||
| 390 | K | 33.8 | Very low | 33 | Very low | 167 Ų | 167 | 149.1 Ų | 149.1 | 73% | 0.726 | 79% | 0.789 | S | S | * | * | cis | 175.8 | 129.8 | -32 | -122.7 | -160.6 | 170.8 | -172.2 | 0 | 106.4 | ||||
| 391 | N | 28.9 | Very low | 32.8 | Very low | 129 Ų | 129 | 154.8 Ų | 154.8 | 69% | 0.69 | 80% | 0.795 | S | S | * | * | trans | 75.2 | 160.7 | 149 | -63.4 | 24.6 | 0 | 0 | 0 | 122 | ||||
| 392 | T | 33.3 | Very low | 32.4 | Very low | 124 Ų | 124 | 155 Ų | 155 | 76% | 0.761 | 79% | 0.791 | S | S | * | * | trans | 67.8 | 143 | 167.1 | 54.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 393 | E | 30 | Very low | 32.4 | Very low | 175 Ų | 175 | 158.2 Ų | 158.2 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | cis | -165.9 | -179.3 | -33.6 | -141 | 161.9 | -150.5 | 0 | 0 | 109.9 | ||||
| 394 | S | 34.7 | Very low | 32.1 | Very low | 115 Ų | 115 | 153.9 Ų | 153.9 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | 70 | 155.4 | 171.9 | 76.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 395 | D | 34.5 | Very low | 31.9 | Very low | 143 Ų | 143 | 152.5 Ų | 152.5 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | cis | -162.7 | -171.4 | -40.1 | -156.3 | -13.4 | 0 | 0 | 0 | 108.7 | ||||
| 396 | F | 36.6 | Very low | 31.5 | Very low | 198 Ų | 198 | 147.5 Ų | 147.5 | 87% | 0.868 | 76% | 0.764 | S | S | * | * | trans | 72.8 | 130.6 | -177.2 | -53.1 | -86.4 | 0 | 0 | 0 | 114.3 | ||||
| 397 | G | 32.9 | Very low | 31.6 | Very low | 70 Ų | 70 | 153.3 Ų | 153.3 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | cis | 124.5 | 113.3 | 6.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 398 | L | 37.3 | Very low | 31.2 | Very low | 156 Ų | 156 | 155.5 Ų | 155.5 | 82% | 0.817 | 77% | 0.773 | S | S | * | * | -159.4 | 139.8 | 71.4 | -77.7 | 167.2 | 0 | 0 | 0 | 109.7 | |||||
| 399 | K | 35 | Very low | 31.2 | Very low | 181 Ų | 181 | 151.1 Ų | 151.1 | 79% | 0.787 | 77% | 0.766 | S | S | * | * | 57.4 | 132.3 | 85.1 | -89.9 | 178.5 | 177.8 | 170.5 | 0 | 113.8 | |||||
| 400 | L | 32.9 | Very low | 31 | Very low | 155 Ų | 155 | 151.1 Ų | 151.1 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | cis | -146.1 | -173.9 | 11.2 | -81.2 | 109.2 | 0 | 0 | 0 | 110.2 | ||||
| 401 | R | 30.4 | Very low | 30.9 | Very low | 224 Ų | 224 | 151.5 Ų | 151.5 | 85% | 0.845 | 77% | 0.768 | S | S | * | * | -174.2 | 163.3 | -51.4 | -153.1 | -177.9 | -158.6 | -146.1 | 6.9 | 107.9 | |||||
| 402 | S | 28.1 | Very low | 30.8 | Very low | 90 Ų | 90 | 153.5 Ų | 153.5 | 63% | 0.629 | 77% | 0.773 | S | S | * | * | trans | -100.5 | 152.9 | -170.4 | 51.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 403 | Y | 30.8 | Very low | 30.7 | Very low | 218 Ų | 218 | 157 Ų | 157 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | trans | -145.7 | 137.7 | 146.4 | -73 | -77.5 | 0 | 0 | 0 | 106.6 | ||||
| 404 | Q | 28.6 | Very low | 30.5 | Very low | 154 Ų | 154 | 151.4 Ų | 151.4 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | cis | 82.1 | 118.4 | 29.8 | -74.6 | -159.7 | -10.9 | 0 | 0 | 117.6 | ||||
| 405 | N | 26.4 | Very low | 30.3 | Very low | 122 Ų | 122 | 151.4 Ų | 151.4 | 65% | 0.652 | 77% | 0.767 | S | S | * | * | trans | 86.7 | 113.9 | 136.7 | -70.7 | -8.6 | 0 | 0 | 0 | 123.1 | ||||
| 406 | T | 25.9 | Very low | 29.9 | Very low | 110 Ų | 110 | 150.8 Ų | 150.8 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | 86.6 | 145.3 | 123 | 59.6 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 407 | R | 29.2 | Very low | 29.6 | Very low | 226 Ų | 226 | 149 Ų | 149 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | trans | 72.7 | 155.8 | 154.5 | -73.2 | 160.9 | -175.3 | -143.2 | 1.1 | 117 | ||||
| 408 | L | 25.8 | Very low | 29.3 | Very low | 142 Ų | 142 | 150.3 Ų | 150.3 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | cis | -170.8 | 179.3 | -36.7 | -122.2 | -179.3 | 0 | 0 | 0 | 106 | ||||
| 409 | C | 29.1 | Very low | 28.8 | Very low | 102 Ų | 102 | 152.8 Ų | 152.8 | 69% | 0.689 | 77% | 0.768 | S | S | * | * | trans | 69.6 | 123.9 | 179.6 | -48.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 410 | E | 26.4 | Very low | 28.7 | Very low | 172 Ų | 172 | 151.7 Ų | 151.7 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | cis | 67.2 | 101.8 | 49.9 | -57.1 | 174.6 | 164.3 | 0 | 0 | 112.6 | ||||
| 411 | H | 32.5 | Very low | 28.6 | Very low | 175 Ų | 175 | 150.5 Ų | 150.5 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | -151.1 | 137.3 | 113.4 | -133.5 | -77.6 | 0 | 0 | 0 | 111.9 | |||||
| 412 | E | 27.3 | Very low | 28.7 | Very low | 171 Ų | 171 | 145 Ų | 145 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | trans | -73 | 147.9 | 162.8 | -54.7 | 175 | 118.2 | 0 | 0 | 109.6 | ||||
| 413 | F | 30.7 | Very low | 28.8 | Very low | 199 Ų | 199 | 146.3 Ų | 146.3 | 87% | 0.873 | 77% | 0.765 | S | S | * | * | trans | -156.5 | 131.3 | 132 | -119.8 | -76.5 | 0 | 0 | 0 | 111 | ||||
| 414 | G | 26.1 | Very low | 28.8 | Very low | 56 Ų | 56 | 144.4 Ų | 144.4 | 58% | 0.577 | 76% | 0.762 | S | S | * | * | trans | -106.2 | -162.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 415 | S | 29.7 | Very low | 29 | Very low | 115 Ų | 115 | 143 Ų | 143 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | 79.3 | 119.1 | -169.6 | -41.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 416 | T | 25.8 | Very low | 29.4 | Very low | 130 Ų | 130 | 142.3 Ų | 142.3 | 80% | 0.798 | 77% | 0.766 | S | S | * | * | cis | 74 | 95.6 | 47.8 | -54 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 417 | I | 30.2 | Very low | 29.7 | Very low | 161 Ų | 161 | 143.8 Ų | 143.8 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | trans | -172.2 | 105.9 | 152.9 | -99.8 | 148.9 | 0 | 0 | 0 | 104.5 | ||||
| 418 | S | 27.4 | Very low | 29.7 | Very low | 97 Ų | 97 | 142.8 Ų | 142.8 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | 95.2 | 112.9 | 72.4 | -75.5 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 419 | K | 27.6 | Very low | 30 | Very low | 209 Ų | 209 | 144.5 Ų | 144.5 | 91% | 0.909 | 77% | 0.768 | S | S | * | * | trans | 12.2 | 115 | 153 | -58.5 | 172.8 | 179.8 | 177.1 | 0 | 117.8 | ||||
| 420 | I | 31.1 | Very low | 30.1 | Very low | 158 Ų | 158 | 144.7 Ų | 144.7 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | trans | -133.1 | 125.5 | 144.7 | -64.1 | -175.6 | 0 | 0 | 0 | 109.4 | ||||
| 421 | V | 32.6 | Very low | 30.3 | Very low | 129 Ų | 129 | 143.3 Ų | 143.3 | 78% | 0.782 | 77% | 0.769 | S | S | * | * | trans | -143.1 | 123.4 | 164.7 | 177.7 | 0 | 0 | 0 | 0 | 107.8 | V423 | V421-V423 HydrophobicContact CG1-CG2 4.46Š| ||
| 422 | P | 32.6 | Very low | 30.4 | Very low | 108 Ų | 108 | 138 Ų | 138 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | trans | -121.4 | 138.9 | 139.5 | 5.3 | 16 | 0 | 0 | 0 | 109.2 | ||||
| 423 | V | 29.6 | Very low | 30.6 | Very low | 118 Ų | 118 | 137 Ų | 137 | 72% | 0.715 | 76% | 0.762 | S | S | * | * | cis | 79.6 | 86.2 | 44 | -175.2 | 0 | 0 | 0 | 0 | 114 | V421 | V421-V423 HydrophobicContact CG1-CG2 4.46Š| ||
| 424 | K | 30.9 | Very low | 30.6 | Very low | 178 Ų | 178 | 133.2 Ų | 133.2 | 77% | 0.774 | 76% | 0.755 | S | S | * | * | trans | 49.1 | 133.4 | 133.8 | -59.7 | -172.3 | 174.6 | -175.9 | 0 | 122.9 | ||||
| 425 | T | 31.6 | Very low | 31 | Very low | 126 Ų | 126 | 137.8 Ų | 137.8 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | trans | 70 | 163.6 | 133.9 | 50.8 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 426 | P | 36.3 | Very low | 31.3 | Very low | 106 Ų | 106 | 137.2 Ų | 137.2 | 69% | 0.688 | 76% | 0.757 | S | S | * | * | cis | -140.9 | -178 | -27.9 | 35 | -14.6 | 0 | 0 | 0 | 116.7 | ||||
| 427 | E | 31.5 | Very low | 31.9 | Very low | 141 Ų | 141 | 138.5 Ų | 138.5 | 66% | 0.659 | 75% | 0.753 | S | S | * | * | trans | 75.2 | 133.4 | 140.7 | -89.2 | -165.9 | 121.7 | 0 | 0 | 126.8 | ||||
| 428 | R | 29 | Very low | 32.2 | Very low | 206 Ų | 206 | 136.5 Ų | 136.5 | 78% | 0.777 | 74% | 0.744 | S | S | * | * | trans | 48.5 | 134 | 138.1 | -76 | -177.3 | 163 | 139.1 | -15.1 | 124 | ||||
| 429 | M | 32.5 | Very low | 32.8 | Very low | 177 Ų | 177 | 136.8 Ų | 136.8 | 87% | 0.872 | 75% | 0.746 | S | S | * | * | 153.8 | 149.4 | 123.2 | -84.5 | -177 | 96.5 | 0 | 0 | 110.1 | |||||
| 430 | T | 30.4 | Very low | 33.3 | Very low | 107 Ų | 107 | 135.7 Ų | 135.7 | 66% | 0.656 | 74% | 0.744 | S | S | * | * | cis | 177.4 | 139.9 | -38.4 | 17.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 431 | V | 31.3 | Very low | 33.9 | Very low | 142 Ų | 142 | 133.7 Ų | 133.7 | 86% | 0.861 | 74% | 0.742 | S | S | * | * | trans | 78.7 | 125.2 | 153 | 174.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 432 | G | 33.3 | Very low | 34.1 | Very low | 65 Ų | 65 | 135 Ų | 135 | 67% | 0.67 | 74% | 0.743 | S | S | * | * | trans | 106.7 | 152.4 | 139.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 433 | N | 33.2 | Very low | 34.4 | Very low | 150 Ų | 150 | 136 Ų | 136 | 80% | 0.802 | 75% | 0.747 | S | S | * | * | cis | -172.7 | 136.8 | -30.3 | -123.3 | 13.2 | 0 | 0 | 0 | 111.9 | ||||
| 434 | V | 30.8 | Very low | 34.7 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 72% | 0.715 | 74% | 0.743 | S | S | * | * | trans | 76 | 150.8 | 141 | 178.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 435 | L | 34.6 | Very low | 35.1 | Very low | 152 Ų | 152 | 134.4 Ų | 134.4 | 80% | 0.796 | 74% | 0.744 | S | S | * | * | trans | 93.8 | 141.9 | 170.4 | -57.6 | -172 | 0 | 0 | 0 | 120.3 | ||||
| 436 | V | 34.9 | Very low | 35.1 | Very low | 104 Ų | 104 | 139.3 Ų | 139.3 | 63% | 0.63 | 75% | 0.749 | S | S | * | * | cis | -171.3 | 176.8 | -32.2 | 102.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 437 | H | 38.5 | Very low | 35.1 | Very low | 157 Ų | 157 | 140.1 Ų | 140.1 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | 74.3 | 145.5 | 172.1 | -72.7 | -60.3 | 0 | 0 | 0 | 117.8 | ||||
| 438 | D | 36.2 | Very low | 35.3 | Very low | 119 Ų | 119 | 139 Ų | 139 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | cis | -151.7 | 145.8 | 2.1 | -123.2 | -28.9 | 0 | 0 | 0 | 115.6 | ||||
| 439 | S | 39.4 | Very low | 35.7 | Very low | 102 Ų | 102 | 136.3 Ų | 136.3 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | trans | 34.1 | 150.6 | 133.9 | -55.3 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 440 | E | 39 | Very low | 35.8 | Very low | 187 Ų | 187 | 132.8 Ų | 132.8 | 87% | 0.874 | 75% | 0.748 | S | S | * | * | cis | -141.7 | 168.2 | 12.6 | -77 | -165 | 119.2 | 0 | 0 | 114.2 | ||||
| 441 | P | 42.8 | Very low | 36.5 | Very low | 116 Ų | 116 | 132.9 Ų | 132.9 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | trans | -121.2 | -178.4 | 176.4 | 43.7 | -32.7 | 0 | 0 | 0 | 115.4 | ||||
| 442 | L | 38.8 | Very low | 36.7 | Very low | 156 Ų | 156 | 134.2 Ų | 134.2 | 82% | 0.817 | 75% | 0.747 | S | S | * | * | trans | -175.3 | 121.1 | 148.2 | -95 | 171.7 | 0 | 0 | 0 | 108.9 | ||||
| 443 | V | 37.9 | Very low | 36.7 | Very low | 128 Ų | 128 | 137 Ų | 137 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | 67.4 | 125.4 | 93.2 | 167.6 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 444 | S | 36.8 | Very low | 36.8 | Very low | 90 Ų | 90 | 135.9 Ų | 135.9 | 63% | 0.629 | 75% | 0.75 | S | S | * | * | cis | -162.1 | -170 | 5 | -147.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 445 | Q | 38 | Very low | 37.2 | Very low | 173 Ų | 173 | 134.4 Ų | 134.4 | 81% | 0.808 | 74% | 0.743 | S | S | * | * | cis | -150.1 | -114.4 | 4.1 | -162.4 | 135.2 | -70 | 0 | 0 | 113.4 | ||||
| 446 | R | 32.9 | Very low | 37.3 | Very low | 229 Ų | 229 | 136.3 Ų | 136.3 | 86% | 0.864 | 75% | 0.745 | S | S | * | * | trans | -152.1 | 165.4 | -179.7 | -58.9 | -176.2 | -171.4 | 169.4 | 2.8 | 107.3 | ||||
| 447 | V | 35.8 | Very low | 37.2 | Very low | 124 Ų | 124 | 138 Ų | 138 | 75% | 0.752 | 75% | 0.751 | S | S | * | * | -172.8 | 138.1 | 64.6 | 165.6 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 448 | V | 35.4 | Very low | 37.3 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 72% | 0.715 | 75% | 0.751 | S | S | * | * | trans | 19.8 | 131.7 | 132.6 | -160.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 449 | D | 36.5 | Very low | 37.2 | Very low | 149 Ų | 149 | 138.1 Ų | 138.1 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | -161.5 | -171.4 | 67.5 | -136.4 | -41.8 | 0 | 0 | 0 | 115.7 | |||||
| 450 | S | 35.4 | Very low | 36.8 | Very low | 102 Ų | 102 | 138.9 Ų | 138.9 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | trans | -111.6 | -147.1 | -163.7 | -53.6 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 451 | P | 44.1 | Very low | 36.6 | Very low | 110 Ų | 110 | 138.5 Ų | 138.5 | 71% | 0.714 | 75% | 0.75 | S | S | * | * | -128.9 | -164.5 | -93.2 | 38.3 | -19.4 | 0 | 0 | 0 | 117.1 | |||||
| 452 | Q | 36 | Very low | 36.3 | Very low | 170 Ų | 170 | 140.4 Ų | 140.4 | 79% | 0.794 | 75% | 0.749 | S | S | * | * | trans | 86 | 153.4 | 170.6 | -43.9 | -171.7 | 6 | 0 | 0 | 116.2 | ||||
| 453 | T | 34.8 | Very low | 36.1 | Very low | 124 Ų | 124 | 139 Ų | 139 | 76% | 0.761 | 75% | 0.749 | S | S | * | * | cis | -147.9 | 165.2 | 11.4 | -30 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 454 | T | 34.1 | Very low | 35.6 | Very low | 125 Ų | 125 | 137.2 Ų | 137.2 | 77% | 0.767 | 74% | 0.742 | S | S | * | * | trans | -97.6 | -159.5 | 170.2 | 58.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 455 | P | 40 | Very low | 35.1 | Very low | 88 Ų | 88 | 142.3 Ų | 142.3 | 57% | 0.571 | 75% | 0.752 | S | S | * | * | cis | -136.2 | -175.3 | -12.2 | 39.9 | -20.3 | 0 | 0 | 0 | 115.1 | ||||
| 456 | F | 36.5 | Very low | 34.8 | Very low | 192 Ų | 192 | 140.6 Ų | 140.6 | 84% | 0.842 | 75% | 0.753 | S | S | * | * | 172.5 | 156.3 | 118 | -101.2 | -70.1 | 0 | 0 | 0 | 113.8 | |||||
| 457 | D | 33.5 | Very low | 34.4 | Very low | 140 Ų | 140 | 138.8 Ų | 138.8 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | trans | -98.5 | -179.9 | -169.6 | -47.9 | -94.5 | 0 | 0 | 0 | 115 | ||||
| 458 | V | 39 | Very low | 34.2 | Very low | 121 Ų | 121 | 139 Ų | 139 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | 154.2 | 120.9 | 125 | 162.8 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 459 | E | 34.6 | Very low | 33.7 | Very low | 156 Ų | 156 | 140.9 Ų | 140.9 | 73% | 0.729 | 76% | 0.761 | S | S | * | * | trans | 63.8 | 133.6 | 149.2 | -78 | -173.8 | 111.6 | 0 | 0 | 127 | ||||
| 460 | N | 32.1 | Very low | 33.2 | Very low | 118 Ų | 118 | 141.9 Ų | 141.9 | 63% | 0.631 | 77% | 0.766 | S | S | * | * | trans | 66.4 | 153.7 | 135.5 | -59.1 | -19.3 | 0 | 0 | 0 | 120.5 | ||||
| 461 | Q | 34.3 | Very low | 32.7 | Very low | 179 Ų | 179 | 144.3 Ų | 144.3 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | cis | -152.9 | 159.8 | 4.4 | -137.3 | 163.9 | 26.6 | 0 | 0 | 111.5 | ||||
| 462 | E | 35.7 | Very low | 31.9 | Very low | 156 Ų | 156 | 145.6 Ų | 145.6 | 73% | 0.729 | 77% | 0.768 | S | S | * | * | trans | -89.3 | 162.1 | 171.7 | -155 | -165.1 | -110.6 | 0 | 0 | 111.6 | C464 | E462-C464 PolarHBondContact OE2-SG 3.2Å; E462-C464 VanDerWaalsContact OE2-SG 3.36Å | ||
| 463 | P | 35.1 | Very low | 31.4 | Very low | 126 Ų | 126 | 142 Ų | 142 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | -148.8 | 171.7 | 114.9 | 38.5 | -22.6 | 0 | 0 | 0 | 117.3 | |||||
| 464 | C | 26.5 | Very low | 31.2 | Very low | 92 Ų | 92 | 144 Ų | 144 | 62% | 0.622 | 77% | 0.767 | S | S | * | * | trans | -96.8 | 162.9 | -172.4 | -87.8 | 0 | 0 | 0 | 0 | 116.8 | E462 | E462-C464 PolarHBondContact OE2-SG 3.2Å; E462-C464 VanDerWaalsContact OE2-SG 3.36Å | ||
| 465 | K | 27.2 | Very low | 30.8 | Very low | 196 Ų | 196 | 142.5 Ų | 142.5 | 85% | 0.852 | 76% | 0.761 | S | S | * | * | trans | 45.8 | 127.4 | 144.9 | -65.7 | 173.9 | -179 | 179.3 | 0 | 121.8 | ||||
| 466 | V | 30.5 | Very low | 30.1 | Very low | 137 Ų | 137 | 144.7 Ų | 144.7 | 83% | 0.83 | 77% | 0.773 | S | S | * | * | trans | -144.2 | 139.3 | 137.5 | -179.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 467 | E | 24.9 | Very low | 29.8 | Very low | 191 Ų | 191 | 143.7 Ų | 143.7 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | trans | -97.3 | 138.8 | 166.2 | -63.6 | 170.9 | 101.7 | 0 | 0 | 110.5 | ||||
| 468 | T | 31.6 | Very low | 29.4 | Very low | 130 Ų | 130 | 142.7 Ų | 142.7 | 80% | 0.798 | 77% | 0.774 | S | S | * | * | trans | -143.7 | 124.9 | 159.5 | -49.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 469 | I | 24.8 | Very low | 29 | Very low | 156 Ų | 156 | 147 Ų | 147 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | trans | -87.5 | 132.2 | 170 | -62 | 164.5 | 0 | 0 | 0 | 108.5 | ||||
| 470 | L | 27.4 | Very low | 28.6 | Very low | 171 Ų | 171 | 147.1 Ų | 147.1 | 90% | 0.895 | 78% | 0.784 | S | S | * | * | trans | -146.6 | 134.7 | 154.9 | -151 | 71.7 | 0 | 0 | 0 | 112.5 | ||||
| 471 | M | 25.2 | Very low | 28.4 | Very low | 153 Ų | 153 | 147 Ų | 147 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | trans | -94.5 | 173.2 | 178.6 | -99.5 | -75.4 | -164 | 0 | 0 | 111.9 | ||||
| 472 | N | 26.2 | Very low | 27.9 | Very low | 136 Ų | 136 | 143.3 Ų | 143.3 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | 87.5 | 105.1 | 158.1 | -58.9 | -30.7 | 0 | 0 | 0 | 120.6 | ||||
| 473 | S | 25.7 | Very low | 27.7 | Very low | 95 Ų | 95 | 143.2 Ų | 143.2 | 66% | 0.664 | 79% | 0.787 | S | S | * | * | 71.5 | 89.4 | 113.1 | -51.9 | 0 | 0 | 0 | 0 | 122 | |||||
| 474 | I | 30.6 | Very low | 27.2 | Very low | 167 Ų | 167 | 144 Ų | 144 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | trans | -134.8 | 107.8 | 130.8 | -70 | 96.6 | 0 | 0 | 0 | 105.1 | ||||
| 475 | S | 25.8 | Very low | 27.2 | Very low | 92 Ų | 92 | 147.9 Ų | 147.9 | 64% | 0.643 | 79% | 0.792 | S | S | * | * | 78.6 | 103.5 | 62.8 | -64.2 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 476 | T | 25.7 | Very low | 27.1 | Very low | 134 Ų | 134 | 147.5 Ų | 147.5 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | trans | 52.6 | 120.2 | 149 | 57.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 477 | L | 29.7 | Very low | 26.9 | Very low | 172 Ų | 172 | 145.9 Ų | 145.9 | 90% | 0.901 | 79% | 0.786 | S | S | * | * | -154.7 | 151.3 | 115.7 | -108.5 | 166.7 | 0 | 0 | 0 | 111.6 | |||||
| 478 | T | 24.8 | Very low | 27 | Very low | 118 Ų | 118 | 144.7 Ų | 144.7 | 72% | 0.724 | 78% | 0.784 | S | S | * | * | trans | -79.7 | 149.8 | -172.9 | 47.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 479 | F | 29.9 | Very low | 26.7 | Very low | 212 Ų | 212 | 143 Ų | 143 | 93% | 0.93 | 78% | 0.783 | S | S | * | * | trans | -155 | 161.9 | 140 | -126.7 | -86.4 | 0 | 0 | 0 | 113.5 | ||||
| 480 | E | 26.3 | Very low | 26.9 | Very low | 159 Ų | 159 | 140.8 Ų | 140.8 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | trans | -79.1 | 159.5 | -164.7 | -87.4 | -93 | 110.7 | 0 | 0 | 117 | ||||
| 481 | P | 27.4 | Very low | 27.2 | Very low | 115 Ų | 115 | 137.6 Ų | 137.6 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | trans | -89.4 | 103.9 | 175.8 | 34.9 | -31.1 | 0 | 0 | 0 | 113.1 | ||||
| 482 | S | 24.4 | Very low | 27.9 | Very low | 102 Ų | 102 | 134.3 Ų | 134.3 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | trans | -151 | 178.2 | 166.8 | 65.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 483 | L | 31.5 | Very low | 28.6 | Very low | 153 Ų | 153 | 136.3 Ų | 136.3 | 80% | 0.801 | 76% | 0.756 | S | S | * | * | trans | 78.9 | 103.4 | -164.8 | -52.2 | 172.9 | 0 | 0 | 0 | 112.8 | ||||
| 484 | I | 26.1 | Very low | 29.4 | Very low | 144 Ų | 144 | 136.2 Ų | 136.2 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | 79.8 | 104.8 | 51.3 | -58.7 | 173.9 | 0 | 0 | 0 | 112.7 | |||||
| 485 | H | 26.2 | Very low | 30.1 | Very low | 173 Ų | 173 | 134.2 Ų | 134.2 | 80% | 0.801 | 74% | 0.735 | S | S | * | * | trans | 36.3 | 116.6 | 154.1 | -70.7 | -101.3 | 0 | 0 | 0 | 120.6 | ||||
| 486 | Q | 25 | Very low | 30.9 | Very low | 188 Ų | 188 | 134.9 Ų | 134.9 | 88% | 0.879 | 73% | 0.731 | S | S | * | * | -140 | 116.6 | 129.1 | -106.6 | -176.7 | 3.1 | 0 | 0 | 110.4 | |||||
| 487 | P | 25.3 | Very low | 32 | Very low | 103 Ų | 103 | 133.1 Ų | 133.1 | 67% | 0.669 | 72% | 0.716 | S | S | * | * | trans | -78 | 138.4 | 164 | 32.1 | -30.9 | 0 | 0 | 0 | 109.5 | A489 | P487-A489 PolarHBondContact O-N 3.24Š| ||
| 488 | L | 27.8 | Very low | 32.9 | Very low | 165 Ų | 165 | 129.2 Ų | 129.2 | 86% | 0.864 | 70% | 0.696 | S | S | * | * | trans | -67.9 | 105.5 | 170.7 | -91 | 77.5 | 0 | 0 | 0 | 109.6 | C490 | L488-C490 PolarHBondContact O-N 2.79Š| ||
| 489 | A | 25.4 | Very low | 34 | Very low | 94 Ų | 94 | 127.7 Ų | 127.7 | 78% | 0.777 | 69% | 0.687 | S | S | * | * | trans | -79.1 | 64.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | P487 | P487-A489 PolarHBondContact O-N 3.24Š| ||
| 490 | C | 28.3 | Very low | 35 | Very low | 110 Ų | 110 | 121.1 Ų | 121.1 | 74% | 0.743 | 66% | 0.661 | S | S | * | * | trans | -94.3 | 90.6 | 163.2 | -79.2 | 0 | 0 | 0 | 0 | 109.1 | L488 | L488-C490 PolarHBondContact O-N 2.79Š| ||
| 491 | T | 32.9 | Very low | 36.4 | Very low | 105 Ų | 105 | 118.2 Ų | 118.2 | 64% | 0.644 | 65% | 0.65 | S | S | * | * | trans | -117.2 | 93.4 | 166.2 | 54.4 | 0 | 0 | 0 | 0 | 108.7 | K493 L496 | T491-K493 PolarHBondContact O-N 2.87Å; T491-L496 HydrophobicContact CG2-CD1 4.28Å | ||
| 492 | D | 41.3 | Very low | 37.6 | Very low | 84 Ų | 84 | 118.7 Ų | 118.7 | 45% | 0.449 | 65% | 0.647 | S | S | . | * | trans | -65.3 | 122.7 | 154.4 | -175.4 | 1.1 | 0 | 0 | 0 | 107.1 | N494 E495 L496 | D492-N494 PolarHBondContact O-N 3.11Å; D492-N494 PolarHBondContact OD1-N 2.83Å; D492-N494 PolarHBondContact OD1-ND2 3.43Å; D492-N494 WeakPolarHBondContact OD2-CB 3.4Å; D492-N494 PolarHBondContact OD2-ND2 3.46Å; D492-N494 VanDerWaalsContact OD2-ND2 3.07Å; D492-E495 HydrophobicContact CB-CB 4.25Å; D492-E495 PolarHBondContact O-N 3.19Å; D492-L496 PolarHBondContact O-N 2.75Å | ||
| 493 | K | 40.6 | Very low | 38.9 | Very low | 177 Ų | 177 | 115.9 Ų | 115.9 | 77% | 0.77 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -58.2 | -28.1 | 176.3 | -162.1 | 173.7 | -176.3 | 178.5 | 0 | 111.1 | T491 L497 | T491-K493 PolarHBondContact O-N 2.87Å; K493-L497 WeakPolarHBondContact O-CB 3.3Å; K493-L497 PolarHBondContact O-N 2.91Å |
| 494 | N | 42.6 | Very low | 39.7 | Very low | 94 Ų | 94 | 112.7 Ų | 112.7 | 50% | 0.503 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -72.1 | -34.3 | 175.7 | -51 | -53.6 | 0 | 0 | 0 | 112.8 | D492 L497 N498 | D492-N494 PolarHBondContact O-N 3.11Å; D492-N494 PolarHBondContact OD1-N 2.83Å; D492-N494 PolarHBondContact OD1-ND2 3.43Å; D492-N494 WeakPolarHBondContact OD2-CB 3.4Å; D492-N494 PolarHBondContact OD2-ND2 3.46Å; D492-N494 VanDerWaalsContact OD2-ND2 3.07Å; N494-L497 PolarHBondContact O-N 2.91Å; N494-N498 WeakPolarHBondContact O-CB 3.48Å; N494-N498 PolarHBondContact O-N 2.86Å; N494-N498 PolarHBondContact O-ND2 2.98Å |
| 495 | E | 45.2 | Very low | 40.7 | Very low | 124 Ų | 124 | 110.1 Ų | 110.1 | 58% | 0.579 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -70.5 | -40.7 | -179.3 | -171.8 | 174.7 | -151.7 | 0 | 0 | 111.5 | D492 L497 N498 T499 | D492-E495 HydrophobicContact CB-CB 4.25Å; D492-E495 PolarHBondContact O-N 3.19Å; E495-L497 VanDerWaalsContact C-N 3.33Å; E495-N498 PolarHBondContact O-N 3.41Å; E495-T499 WeakPolarHBondContact O-CB 3.41Å; E495-T499 PolarHBondContact O-N 3.42Å; E495-T499 PolarHBondContact O-OG1 2.99Å |
| 496 | L | 43.1 | Very low | 41.3 | Very low | 106 Ų | 106 | 108.6 Ų | 108.6 | 56% | 0.555 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -62.5 | -39.7 | 169.5 | -87.7 | 168 | 0 | 0 | 0 | 112.1 | T491 D492 T499 L500 | T491-L496 HydrophobicContact CG2-CD1 4.28Å; D492-L496 PolarHBondContact O-N 2.75Å; L496-T499 PolarHBondContact O-N 2.8Å; L496-L500 PolarHBondContact O-N 3.17Å |
| 497 | L | 48.8 | Very low | 42.2 | Very low | 97 Ų | 97 | 103.1 Ų | 103.1 | 51% | 0.508 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.1 | -42.5 | 177.8 | -153.3 | 74.6 | 0 | 0 | 0 | 111.8 | K493 N494 E495 T499 L500 N501 | K493-L497 WeakPolarHBondContact O-CB 3.3Å; K493-L497 PolarHBondContact O-N 2.91Å; N494-L497 PolarHBondContact O-N 2.91Å; E495-L497 VanDerWaalsContact C-N 3.33Å; L497-T499 VanDerWaalsContact C-N 3.33Å; L497-T499 PolarHBondContact O-N 3.07Å; L497-L500 WeakPolarHBondContact O-CB 3.12Å; L497-L500 PolarHBondContact O-N 2.95Å; L497-N501 WeakPolarHBondContact O-CB 3.49Å; L497-N501 PolarHBondContact O-N 3.38Å; L497-N501 PolarHBondContact O-ND2 3.01Å |
| 498 | N | 48.6 | Very low | 43 | Very low | 91 Ų | 91 | 100.8 Ų | 100.8 | 49% | 0.487 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63 | -39.1 | 173.7 | -73.1 | -23 | 0 | 0 | 0 | 111.5 | N494 E495 L500 N501 N502 | N494-N498 WeakPolarHBondContact O-CB 3.48Å; N494-N498 PolarHBondContact O-N 2.86Å; N494-N498 PolarHBondContact O-ND2 2.98Å; E495-N498 PolarHBondContact O-N 3.41Å; N498-L500 VanDerWaalsContact C-N 3.34Å; N498-N501 PolarHBondContact O-N 3.04Å; N498-N502 WeakPolarHBondContact O-CB 3.47Å; N498-N502 VanDerWaalsContact O-CG 3.3Å; N498-N502 PolarHBondContact O-N 2.95Å; N498-N502 PolarHBondContact O-ND2 3.28Å |
| 499 | T | 47.6 | Very low | 43.7 | Very low | 86 Ų | 86 | 96.6 Ų | 96.6 | 53% | 0.528 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.9 | -39.6 | 174.3 | -57.9 | 0 | 0 | 0 | 0 | 111.7 | E495 L496 L497 M503 | E495-T499 WeakPolarHBondContact O-CB 3.41Å; E495-T499 PolarHBondContact O-N 3.42Å; E495-T499 PolarHBondContact O-OG1 2.99Å; L496-T499 PolarHBondContact O-N 2.8Å; L497-T499 VanDerWaalsContact C-N 3.33Å; L497-T499 PolarHBondContact O-N 3.07Å; T499-M503 WeakPolarHBondContact O-CG 3.47Å |
| 500 | L | 49.9 | Very low | 44.3 | Very low | 74 Ų | 74 | 96.2 Ų | 96.2 | 39% | 0.387 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.2 | -43.3 | 175.2 | -111.4 | 155.2 | 0 | 0 | 0 | 112.7 | L496 L497 N498 N502 M503 | L496-L500 PolarHBondContact O-N 3.17Å; L497-L500 WeakPolarHBondContact O-CB 3.12Å; L497-L500 PolarHBondContact O-N 2.95Å; N498-L500 VanDerWaalsContact C-N 3.34Å; L500-N502 VanDerWaalsContact C-N 3.32Å; L500-N502 PolarHBondContact O-N 2.59Å; L500-M503 WeakPolarHBondContact O-CB 3.36Å; L500-M503 PolarHBondContact O-N 2.84Å |
| 501 | N | 56.3 | Low | 45.2 | Very low | 97 Ų | 97 | 94.9 Ų | 94.9 | 52% | 0.519 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.3 | -28.6 | -179.6 | -68.5 | -22.3 | 0 | 0 | 0 | 112.7 | L497 N498 M503 Q508 | L497-N501 WeakPolarHBondContact O-CB 3.49Å; L497-N501 PolarHBondContact O-N 3.38Å; L497-N501 PolarHBondContact O-ND2 3.01Å; N498-N501 PolarHBondContact O-N 3.04Å; N501-M503 VanDerWaalsContact C-N 3.28Å; N501-M503 PolarHBondContact O-N 3.09Å; N501-Q508 PolarHBondContact O-NE2 2.93Å |
| 502 | N | 52.2 | Low | 45.7 | Very low | 126 Ų | 126 | 97.1 Ų | 97.1 | 67% | 0.674 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | 2.2 | 177.1 | -76.2 | -46.4 | 0 | 0 | 0 | 114.4 | N498 L500 | N498-N502 WeakPolarHBondContact O-CB 3.47Å; N498-N502 VanDerWaalsContact O-CG 3.3Å; N498-N502 PolarHBondContact O-N 2.95Å; N498-N502 PolarHBondContact O-ND2 3.28Å; L500-N502 VanDerWaalsContact C-N 3.32Å; L500-N502 PolarHBondContact O-N 2.59Å |
| 503 | M | 52.4 | Low | 45.7 | Very low | 43 Ų | 43 | 100.8 Ų | 100.8 | 21% | 0.212 | 53% | 0.529 | C | S | . | . | S | Bend | trans | -82.8 | 141.5 | 175.9 | -70.6 | -94.4 | -90.3 | 0 | 0 | 111.5 | T499 L500 N501 L507 Q508 I511 | T499-M503 WeakPolarHBondContact O-CG 3.47Å; L500-M503 WeakPolarHBondContact O-CB 3.36Å; L500-M503 PolarHBondContact O-N 2.84Å; N501-M503 VanDerWaalsContact C-N 3.28Å; N501-M503 PolarHBondContact O-N 3.09Å; M503-L507 HydrophobicContact CB-CB 4.48Å; M503-L507 HydrophobicContact CE-CB 3.93Å; M503-L507 HydrophobicContact CE-CD1 4.17Å; M503-L507 HydrophobicContact SD-CD1 4.21Å; M503-Q508 HydrophobicContact CB-CG 4.2Å; M503-Q508 PolarHBondContact O-NE2 3.12Å; M503-I511 HydrophobicContact CE-CD1 3.66Å |
| 504 | P | 47.9 | Very low | 45.6 | Very low | 85 Ų | 85 | 95.3 Ų | 95.3 | 55% | 0.552 | 52% | 0.523 | S | S | * | . | trans | -50.1 | 143.2 | 169.9 | -28.1 | 34.7 | 0 | 0 | 0 | 112.7 | L506 L507 Q508 | P504-L506 PolarHBondContact O-N 2.88Å; P504-L506 VanDerWaalsContact O-N 3.11Å; P504-L507 PolarHBondContact O-N 3.41Å; P504-Q508 PolarHBondContact O-N 3.38Å | ||
| 505 | S | 47 | Very low | 45.3 | Very low | 91 Ų | 91 | 94.7 Ų | 94.7 | 64% | 0.636 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -54.5 | -35.9 | -171.8 | 51.9 | 0 | 0 | 0 | 0 | 114.2 | L507 Q508 T509 | S505-L507 VanDerWaalsContact C-N 3.28Å; S505-L507 PolarHBondContact O-N 2.77Å; S505-Q508 PolarHBondContact O-N 3.48Å; S505-T509 PolarHBondContact O-N 2.91Å |
| 506 | L | 39.8 | Very low | 44.6 | Very low | 141 Ų | 141 | 95.5 Ų | 95.5 | 74% | 0.738 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.6 | -25.9 | 175.5 | -79 | 166.6 | 0 | 0 | 0 | 114.4 | P504 T509 T510 | P504-L506 PolarHBondContact O-N 2.88Å; P504-L506 VanDerWaalsContact O-N 3.11Å; L506-T509 PolarHBondContact O-OG1 2.86Å; L506-T509 VanDerWaalsContact O-OG1 3.06Å; L506-T510 PolarHBondContact O-OG1 3.32Å; L506-T510 VanDerWaalsContact O-OG1 3.06Å |
| 507 | L | 43.8 | Very low | 43.9 | Very low | 72 Ų | 72 | 98.2 Ų | 98.2 | 38% | 0.377 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -87.3 | -27.3 | 176.1 | -74.6 | 167.2 | 0 | 0 | 0 | 112.3 | M503 P504 S505 T509 I511 | M503-L507 HydrophobicContact CB-CB 4.48Å; M503-L507 HydrophobicContact CE-CB 3.93Å; M503-L507 HydrophobicContact CE-CD1 4.17Å; M503-L507 HydrophobicContact SD-CD1 4.21Å; P504-L507 PolarHBondContact O-N 3.41Å; S505-L507 VanDerWaalsContact C-N 3.28Å; S505-L507 PolarHBondContact O-N 2.77Å; L507-T509 VanDerWaalsContact C-N 3.3Å; L507-T509 PolarHBondContact O-N 3.47Å; L507-I511 WeakPolarHBondContact O-CG1 3.39Å; L507-I511 PolarHBondContact O-N 3.48Å |
| 508 | Q | 41.9 | Very low | 43.1 | Very low | 54 Ų | 54 | 102 Ų | 102 | 25% | 0.252 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.2 | -32.9 | 176.4 | -60.3 | -172 | 18.6 | 0 | 0 | 112.2 | N501 M503 P504 S505 K512 | N501-Q508 PolarHBondContact O-NE2 2.93Å; M503-Q508 HydrophobicContact CB-CG 4.2Å; M503-Q508 PolarHBondContact O-NE2 3.12Å; P504-Q508 PolarHBondContact O-N 3.38Å; S505-Q508 PolarHBondContact O-N 3.48Å; Q508-K512 WeakPolarHBondContact O-CG 3.27Å; Q508-K512 PolarHBondContact O-N 2.67Å |
| 509 | T | 41.3 | Very low | 42.2 | Very low | 77 Ų | 77 | 103 Ų | 103 | 47% | 0.472 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -73.7 | -44.1 | 177.7 | 51 | 0 | 0 | 0 | 0 | 112.3 | S505 L506 L507 I511 K512 Q513 | S505-T509 PolarHBondContact O-N 2.91Å; L506-T509 PolarHBondContact O-OG1 2.86Å; L506-T509 VanDerWaalsContact O-OG1 3.06Å; L507-T509 VanDerWaalsContact C-N 3.3Å; L507-T509 PolarHBondContact O-N 3.47Å; T509-I511 VanDerWaalsContact C-N 3.32Å; T509-I511 PolarHBondContact O-N 2.93Å; T509-K512 PolarHBondContact O-N 2.64Å; T509-Q513 PolarHBondContact O-N 3.23Å; T509-Q513 VanDerWaalsContact O-N 3.17Å |
| 510 | T | 39.1 | Very low | 41.2 | Very low | 87 Ų | 87 | 106.4 Ų | 106.4 | 53% | 0.534 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -60.9 | -40.3 | 179.5 | -37.3 | 0 | 0 | 0 | 0 | 112 | L506 Q513 G514 | L506-T510 PolarHBondContact O-OG1 3.32Å; L506-T510 VanDerWaalsContact O-OG1 3.06Å; T510-Q513 PolarHBondContact O-N 3.04Å; T510-G514 PolarHBondContact O-N 3.48Å |
| 511 | I | 46 | Very low | 40.3 | Very low | 82 Ų | 82 | 110.4 Ų | 110.4 | 42% | 0.421 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -68.4 | -38.6 | 179.5 | -65.9 | 171.2 | 0 | 0 | 0 | 111.2 | M503 L507 T509 Q513 G514 A515 | M503-I511 HydrophobicContact CE-CD1 3.66Å; L507-I511 WeakPolarHBondContact O-CG1 3.39Å; L507-I511 PolarHBondContact O-N 3.48Å; T509-I511 VanDerWaalsContact C-N 3.32Å; T509-I511 PolarHBondContact O-N 2.93Å; I511-Q513 VanDerWaalsContact C-N 3.28Å; I511-Q513 PolarHBondContact O-N 2.74Å; I511-G514 PolarHBondContact O-N 3.46Å; I511-A515 PolarHBondContact O-N 3.01Å |
| 512 | K | 43.7 | Very low | 39 | Very low | 151 Ų | 151 | 112.8 Ų | 112.8 | 66% | 0.657 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -65.6 | -28 | 175.9 | -75.2 | 177.4 | 179.8 | 177.3 | 0 | 113.3 | Q508 T509 | Q508-K512 WeakPolarHBondContact O-CG 3.27Å; Q508-K512 PolarHBondContact O-N 2.67Å; T509-K512 PolarHBondContact O-N 2.64Å |
| 513 | Q | 42.2 | Very low | 38.3 | Very low | 161 Ų | 161 | 114.4 Ų | 114.4 | 75% | 0.752 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -83.4 | -28.5 | 174.4 | -70.7 | 178.1 | -29.4 | 0 | 0 | 113 | T509 T510 I511 | T509-Q513 PolarHBondContact O-N 3.23Å; T509-Q513 VanDerWaalsContact O-N 3.17Å; T510-Q513 PolarHBondContact O-N 3.04Å; I511-Q513 VanDerWaalsContact C-N 3.28Å; I511-Q513 PolarHBondContact O-N 2.74Å |
| 514 | G | 38 | Very low | 37.4 | Very low | 63 Ų | 63 | 121.3 Ų | 121.3 | 65% | 0.649 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -75.8 | -17.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | T510 I511 L516 | T510-G514 PolarHBondContact O-N 3.48Å; I511-G514 PolarHBondContact O-N 3.46Å; G514-L516 VanDerWaalsContact C-N 3.32Å; G514-L516 PolarHBondContact O-N 3.11Å |
| 515 | A | 35.9 | Very low | 36.6 | Very low | 81 Ų | 81 | 128.4 Ų | 128.4 | 67% | 0.669 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | 15.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | I511 | I511-A515 PolarHBondContact O-N 3.01Š|
| 516 | L | 30.5 | Very low | 36 | Very low | 141 Ų | 141 | 132.4 Ų | 132.4 | 74% | 0.738 | 70% | 0.695 | S | S | * | * | trans | -111.9 | 28 | -169.1 | -122.8 | 169.2 | 0 | 0 | 0 | 113.8 | G514 | G514-L516 VanDerWaalsContact C-N 3.32Å; G514-L516 PolarHBondContact O-N 3.11Å | ||
| 517 | L | 29.8 | Very low | 35.5 | Very low | 163 Ų | 163 | 129.9 Ų | 129.9 | 85% | 0.853 | 69% | 0.694 | S | S | * | * | trans | -141.1 | 82.3 | 179.3 | -70.2 | 175.6 | 0 | 0 | 0 | 111.5 | ||||
| 518 | E | 30.4 | Very low | 34.9 | Very low | 175 Ų | 175 | 132.1 Ų | 132.1 | 82% | 0.818 | 71% | 0.711 | S | S | * | * | trans | -119.1 | 118 | 174.9 | -84.6 | -78.7 | 157.1 | 0 | 0 | 109.8 | N520 | E518-N520 PolarHBondContact O-N 3.01Š| ||
| 519 | P | 29.9 | Very low | 34.4 | Very low | 114 Ų | 114 | 136.9 Ų | 136.9 | 74% | 0.74 | 73% | 0.734 | S | S | * | * | trans | -81.6 | 110.8 | 178.9 | 31.1 | -31.9 | 0 | 0 | 0 | 111.7 | I521 | P519-I521 PolarHBondContact O-N 3.36Š| ||
| 520 | N | 28.1 | Very low | 34 | Very low | 156 Ų | 156 | 141.2 Ų | 141.2 | 83% | 0.834 | 75% | 0.753 | S | S | * | * | trans | -79.6 | 107.4 | -173 | -175.7 | 6.3 | 0 | 0 | 0 | 113 | E518 | E518-N520 PolarHBondContact O-N 3.01Š| ||
| 521 | I | 30.8 | Very low | 33.6 | Very low | 159 Ų | 159 | 145.6 Ų | 145.6 | 82% | 0.815 | 77% | 0.765 | S | S | * | * | trans | -132.2 | 108.5 | 170 | -56.4 | -178.8 | 0 | 0 | 0 | 110.5 | P519 | P519-I521 PolarHBondContact O-N 3.36Š| ||
| 522 | N | 29.4 | Very low | 33 | Very low | 146 Ų | 146 | 147.1 Ų | 147.1 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | trans | -153.3 | 98.1 | 168.1 | -138 | -20.9 | 0 | 0 | 0 | 110.2 | ||||
| 523 | N | 35.9 | Very low | 32.7 | Very low | 160 Ų | 160 | 145.5 Ų | 145.5 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | trans | -159.5 | 162.8 | 157.6 | -118.5 | -39.5 | 0 | 0 | 0 | 114.3 | ||||
| 524 | K | 34 | Very low | 32.3 | Very low | 188 Ų | 188 | 145.7 Ų | 145.7 | 82% | 0.817 | 79% | 0.791 | S | S | * | * | trans | -90.9 | 154.3 | -158.1 | -66.9 | 170.9 | -179.4 | 169.1 | 0 | 115.1 | ||||
| 525 | R | 30.3 | Very low | 31.8 | Very low | 234 Ų | 234 | 147.6 Ų | 147.6 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | 2.5 | 124.7 | 146.6 | -59.8 | 174.6 | -180 | 163.1 | -1.3 | 116.4 | ||||
| 526 | N | 34.4 | Very low | 31.5 | Very low | 175 Ų | 175 | 150.1 Ų | 150.1 | 94% | 0.936 | 80% | 0.801 | S | S | * | * | -151.9 | 160.9 | 120.3 | -100.8 | -23 | 0 | 0 | 0 | 109.9 | |||||
| 527 | A | 29.4 | Very low | 31.6 | Very low | 88 Ų | 88 | 153.5 Ų | 153.5 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | -105.8 | 159.6 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 528 | T | 31.4 | Very low | 31.5 | Very low | 119 Ų | 119 | 150.6 Ų | 150.6 | 73% | 0.73 | 80% | 0.803 | S | S | * | * | 157.5 | 121.1 | 127.2 | -67.9 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 529 | Q | 31.4 | Very low | 31.7 | Very low | 155 Ų | 155 | 152.2 Ų | 152.2 | 72% | 0.724 | 81% | 0.808 | S | S | * | * | trans | 27.1 | 130.3 | 147.3 | -51.5 | 172.1 | 17.1 | 0 | 0 | 118.6 | ||||
| 530 | L | 33.8 | Very low | 31.8 | Very low | 168 Ų | 168 | 155.1 Ų | 155.1 | 88% | 0.88 | 81% | 0.812 | S | S | * | * | -155.7 | 153.6 | 79.1 | -91.5 | 158.7 | 0 | 0 | 0 | 114.1 | |||||
| 531 | F | 30.3 | Very low | 31.9 | Very low | 179 Ų | 179 | 152.1 Ų | 152.1 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | -94.4 | -165.5 | -179.3 | -71 | -92.5 | 0 | 0 | 0 | 111.3 | ||||
| 532 | P | 34.3 | Very low | 32 | Very low | 113 Ų | 113 | 152.5 Ų | 152.5 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | cis | -130.7 | -179.8 | -15.6 | 15.6 | 11 | 0 | 0 | 0 | 115 | ||||
| 533 | P | 37.2 | Very low | 32.1 | Very low | 118 Ų | 118 | 156.2 Ų | 156.2 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | trans | -102.4 | 163.7 | 174 | 39.4 | -34.3 | 0 | 0 | 0 | 115.5 | ||||
| 534 | L | 33.1 | Very low | 32.1 | Very low | 165 Ų | 165 | 153.8 Ų | 153.8 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | -156.1 | 166.9 | 164.7 | -79.5 | 115.6 | 0 | 0 | 0 | 108.6 | ||||
| 535 | S | 27.7 | Very low | 32.1 | Very low | 103 Ų | 103 | 154.1 Ų | 154.1 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | cis | -167.4 | 162.6 | -40.7 | 63.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 536 | T | 28.8 | Very low | 32.2 | Very low | 133 Ų | 133 | 149.7 Ų | 149.7 | 82% | 0.816 | 79% | 0.794 | S | S | * | * | trans | -72.9 | 147.9 | -175.4 | 48.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 537 | K | 34 | Very low | 32.3 | Very low | 212 Ų | 212 | 147.1 Ų | 147.1 | 92% | 0.922 | 79% | 0.787 | S | S | * | * | trans | -159.8 | 147.6 | 150.2 | -112.6 | 159.6 | -171.9 | 175.6 | 0 | 112.4 | ||||
| 538 | S | 27.4 | Very low | 32.4 | Very low | 102 Ų | 102 | 151.3 Ų | 151.3 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | trans | -95.5 | 157.2 | -176.7 | 50.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 539 | F | 35.2 | Very low | 32.3 | Very low | 209 Ų | 209 | 153.2 Ų | 153.2 | 92% | 0.917 | 80% | 0.795 | S | S | * | * | trans | -147.1 | 140.1 | 148.2 | -108.5 | -72.9 | 0 | 0 | 0 | 114.1 | ||||
| 540 | E | 30 | Very low | 32.3 | Very low | 176 Ų | 176 | 148.9 Ų | 148.9 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | trans | -72.2 | 170 | 165.8 | -76.4 | 174 | 121.8 | 0 | 0 | 111 | ||||
| 541 | S | 30.5 | Very low | 32 | Very low | 93 Ų | 93 | 146.3 Ų | 146.3 | 65% | 0.65 | 79% | 0.788 | S | S | * | * | cis | -168.7 | 168.3 | -6.4 | 158.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 542 | I | 33.9 | Very low | 32 | Very low | 166 Ų | 166 | 145 Ų | 145 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | -179.7 | 130 | 126.3 | -90.4 | 155.2 | 0 | 0 | 0 | 110.8 | |||||
| 543 | R | 31.3 | Very low | 31.7 | Very low | 225 Ų | 225 | 146.2 Ų | 146.2 | 85% | 0.849 | 79% | 0.788 | S | S | * | * | trans | -104.1 | 174 | 171.8 | -86 | -169.9 | -176.5 | -156.7 | 4.5 | 108.5 | ||||
| 544 | P | 34.7 | Very low | 31.4 | Very low | 108 Ų | 108 | 149.8 Ų | 149.8 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | cis | -146.8 | -153.6 | 33.7 | 40.1 | -13.8 | 0 | 0 | 0 | 113.5 | ||||
| 545 | K | 35.5 | Very low | 31.2 | Very low | 195 Ų | 195 | 148.6 Ų | 148.6 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | cis | -159.3 | 164.9 | 15.3 | -142.8 | 162.3 | -158.9 | 173 | 0 | 111.4 | ||||
| 546 | I | 32.2 | Very low | 31.6 | Very low | 141 Ų | 141 | 151 Ų | 151 | 72% | 0.723 | 79% | 0.791 | S | S | * | * | trans | -134.6 | 140.9 | -179.8 | -62.2 | 163.4 | 0 | 0 | 0 | 110.3 | ||||
| 547 | P | 36.2 | Very low | 31.7 | Very low | 121 Ų | 121 | 148.5 Ų | 148.5 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | trans | -114 | 136.6 | 143.6 | 35 | -25.5 | 0 | 0 | 0 | 110 | ||||
| 548 | K | 31.7 | Very low | 31.5 | Very low | 177 Ų | 177 | 145.6 Ų | 145.6 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | cis | 80.9 | 112.1 | 27.4 | -77.2 | -159.9 | 170.6 | -172 | 0 | 118 | ||||
| 549 | N | 29.1 | Very low | 31.7 | Very low | 158 Ų | 158 | 146.2 Ų | 146.2 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | trans | 84.6 | 142.5 | 145.3 | -62.5 | 15.7 | 0 | 0 | 0 | 120.7 | ||||
| 550 | G | 31.5 | Very low | 31.4 | Very low | 64 Ų | 64 | 141 Ų | 141 | 66% | 0.66 | 77% | 0.767 | S | S | * | * | trans | 118.7 | 94.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 551 | S | 27.7 | Very low | 31.5 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | 54.4 | 131.4 | 80.2 | 73.8 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 552 | L | 29.4 | Very low | 31.7 | Very low | 152 Ų | 152 | 139.7 Ų | 139.7 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | cis | -158.5 | 165.2 | 26.6 | -160.2 | 79.6 | 0 | 0 | 0 | 111.7 | ||||
| 553 | L | 27.8 | Very low | 31.6 | Very low | 139 Ų | 139 | 139 Ų | 139 | 73% | 0.728 | 76% | 0.763 | S | S | * | * | trans | -2.9 | 141.6 | 154.9 | -63.9 | 165.4 | 0 | 0 | 0 | 117.8 | ||||
| 554 | K | 32.8 | Very low | 31.7 | Very low | 193 Ų | 193 | 131.5 Ų | 131.5 | 84% | 0.839 | 76% | 0.756 | S | S | * | * | -168.2 | 169.7 | 57.6 | -136.6 | 160 | -171.1 | -177.3 | 0 | 113.2 | |||||
| 555 | N | 28 | Very low | 31.5 | Very low | 140 Ų | 140 | 131 Ų | 131 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | trans | -76 | 153.9 | 170.3 | -52.4 | -20.9 | 0 | 0 | 0 | 111.4 | ||||
| 556 | D | 36.1 | Very low | 31.5 | Very low | 154 Ų | 154 | 129.2 Ų | 129.2 | 82% | 0.824 | 75% | 0.754 | S | S | * | * | -175.1 | 165.1 | 118.8 | -93.8 | -31.2 | 0 | 0 | 0 | 109 | |||||
| 557 | S | 31.1 | Very low | 31.7 | Very low | 80 Ų | 80 | 127.2 Ų | 127.2 | 56% | 0.559 | 75% | 0.753 | S | S | * | * | cis | 162.1 | 124.4 | -28.7 | -86.4 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 558 | N | 30.4 | Very low | 31.5 | Very low | 151 Ų | 151 | 127.2 Ų | 127.2 | 81% | 0.807 | 76% | 0.755 | S | S | * | * | trans | 74.5 | 145.4 | 158 | -57.8 | -34.4 | 0 | 0 | 0 | 122.7 | ||||
| 559 | S | 30.7 | Very low | 31.3 | Very low | 114 Ų | 114 | 123.8 Ų | 123.8 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | trans | 84.1 | 142.1 | 147.9 | 80.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 560 | S | 29.4 | Very low | 31.5 | Very low | 101 Ų | 101 | 124.4 Ų | 124.4 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | cis | -169.1 | 178.1 | -16.8 | 49 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 561 | V | 32.6 | Very low | 31.4 | Very low | 120 Ų | 120 | 127.6 Ų | 127.6 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | trans | 63.1 | 157.1 | 171.2 | -109.3 | 0 | 0 | 0 | 0 | 115.8 | I563 | V561-I563 HydrophobicContact CG1-CD1 4.36Š| ||
| 562 | V | 33.9 | Very low | 31.8 | Very low | 121 Ų | 121 | 130.4 Ų | 130.4 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | cis | -132.7 | 123.8 | 2 | -159.4 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 563 | I | 31.5 | Very low | 31.7 | Very low | 150 Ų | 150 | 129.5 Ų | 129.5 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | 43 | 129.5 | 91.4 | -46.2 | 168.3 | 0 | 0 | 0 | 113 | V561 | V561-I563 HydrophobicContact CG1-CD1 4.36Š| |||
| 564 | G | 32.9 | Very low | 31.9 | Very low | 68 Ų | 68 | 131.1 Ų | 131.1 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | cis | 177.4 | -165.5 | 2.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 565 | S | 31.2 | Very low | 31.8 | Very low | 97 Ų | 97 | 125 Ų | 125 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | cis | -172.2 | 172.3 | -20 | -82.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 566 | N | 35.9 | Very low | 32 | Very low | 158 Ų | 158 | 126.8 Ų | 126.8 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | trans | 79 | 142.4 | 168.5 | -53.1 | -11.9 | 0 | 0 | 0 | 116.9 | ||||
| 567 | S | 35.7 | Very low | 31.5 | Very low | 100 Ų | 100 | 124 Ų | 124 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | cis | -166 | 149.9 | -8.1 | 42.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 568 | C | 31.2 | Very low | 31.5 | Very low | 121 Ų | 121 | 130.7 Ų | 130.7 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | 47.4 | 117.2 | 155.8 | -57.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 569 | S | 29.1 | Very low | 31.3 | Very low | 104 Ų | 104 | 127.9 Ų | 127.9 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | cis | 71.5 | 118.9 | 38.7 | -166.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 570 | L | 33.7 | Very low | 31.1 | Very low | 171 Ų | 171 | 127 Ų | 127 | 90% | 0.895 | 76% | 0.761 | S | S | * | * | trans | -163.5 | 115.7 | 139.2 | -111.9 | 169.5 | 0 | 0 | 0 | 109.9 | ||||
| 571 | D | 28.6 | Very low | 31.1 | Very low | 132 Ų | 132 | 129.6 Ų | 129.6 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | -75.5 | 157 | 169.2 | -69.2 | -75 | 0 | 0 | 0 | 111.7 | ||||
| 572 | L | 34.9 | Very low | 30.9 | Very low | 173 Ų | 173 | 129 Ų | 129 | 91% | 0.906 | 77% | 0.768 | S | S | * | * | trans | -155.8 | 105.8 | 144.4 | -111.3 | 174.9 | 0 | 0 | 0 | 111.1 | ||||
| 573 | N | 27.8 | Very low | 30.7 | Very low | 132 Ų | 132 | 132.6 Ų | 132.6 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | -80.2 | 139.7 | 164.9 | -82.1 | -61.2 | 0 | 0 | 0 | 110.2 | ||||
| 574 | N | 32.6 | Very low | 30.6 | Very low | 173 Ų | 173 | 132.6 Ų | 132.6 | 93% | 0.925 | 78% | 0.778 | S | S | * | * | trans | 165.6 | 154.2 | 133.4 | -86.4 | -26.5 | 0 | 0 | 0 | 111.4 | ||||
| 575 | G | 29.8 | Very low | 30.4 | Very low | 64 Ų | 64 | 135.4 Ų | 135.4 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | trans | 129.3 | 75.8 | 155.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 576 | H | 33.2 | Very low | 30.2 | Very low | 179 Ų | 179 | 141.8 Ų | 141.8 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | trans | 40.5 | 102.3 | 137.5 | -64.8 | -74.3 | 0 | 0 | 0 | 121.1 | ||||
| 577 | S | 26 | Very low | 29.7 | Very low | 94 Ų | 94 | 140.8 Ų | 140.8 | 66% | 0.657 | 80% | 0.8 | S | S | * | * | 37.9 | 121.5 | 122.5 | 61.6 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 578 | F | 30.8 | Very low | 29.3 | Very low | 221 Ų | 221 | 138 Ų | 138 | 97% | 0.969 | 79% | 0.787 | S | S | * | * | -137 | 163.3 | 120.6 | -108.6 | -77 | 0 | 0 | 0 | 110.9 | |||||
| 579 | S | 25.7 | Very low | 29 | Very low | 93 Ų | 93 | 138 Ų | 138 | 65% | 0.65 | 79% | 0.788 | S | S | * | * | trans | -122.4 | 161.2 | -164.4 | 169.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 580 | S | 27.5 | Very low | 29 | Very low | 96 Ų | 96 | 143.9 Ų | 143.9 | 67% | 0.671 | 80% | 0.795 | S | S | * | * | trans | 75.2 | 147 | 148.3 | 35.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 581 | N | 29.1 | Very low | 28.6 | Very low | 155 Ų | 155 | 141.5 Ų | 141.5 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | trans | 78.5 | 85.2 | 157.1 | -61.4 | 1.1 | 0 | 0 | 0 | 119 | ||||
| 582 | S | 27.5 | Very low | 28.5 | Very low | 107 Ų | 107 | 143.2 Ų | 143.2 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | -56.2 | 146.6 | 141.6 | 54.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 583 | E | 31 | Very low | 28.3 | Very low | 196 Ų | 196 | 143.1 Ų | 143.1 | 92% | 0.916 | 77% | 0.771 | S | S | * | * | trans | -126.4 | 141.9 | 149.3 | -73.5 | -158.3 | 132 | 0 | 0 | 111.1 | ||||
| 584 | N | 28.6 | Very low | 28.3 | Very low | 150 Ų | 150 | 147.5 Ų | 147.5 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | trans | -110.6 | 122.9 | 172.1 | -85.9 | -72.5 | 0 | 0 | 0 | 109.1 | ||||
| 585 | C | 28.3 | Very low | 28.5 | Very low | 127 Ų | 127 | 145.1 Ų | 145.1 | 86% | 0.858 | 77% | 0.773 | S | S | * | * | trans | -142.2 | 119.9 | 152.3 | -98.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 586 | R | 26.6 | Very low | 28.5 | Very low | 231 Ų | 231 | 148.6 Ų | 148.6 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | cis | 60.5 | 130.1 | 47.1 | -77.2 | -166 | 167.5 | -159.4 | -1.1 | 115 | ||||
| 587 | S | 26 | Very low | 28.6 | Very low | 138 Ų | 138 | 147.2 Ų | 147.2 | 97% | 0.965 | 78% | 0.781 | S | S | * | * | trans | 72.8 | 158.9 | 162.6 | -155.5 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 588 | G | 27 | Very low | 29 | Very low | 40 Ų | 40 | 149.9 Ų | 149.9 | 41% | 0.412 | 79% | 0.787 | S | S | . | * | trans | 124 | 82.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | W590 | G588-W590 VanDerWaalsContact CA-CD1 3.42Å; G588-W590 PolarHBondContact O-N 3.27Å | ||
| 589 | S | 26.3 | Very low | 29 | Very low | 121 Ų | 121 | 142.9 Ų | 142.9 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | -69.8 | 101.9 | 154.6 | 53 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 590 | W | 28.1 | Very low | 29.3 | Very low | 229 Ų | 229 | 142.8 Ų | 142.8 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | trans | -122.5 | 107.4 | -176.7 | -74.7 | 109.7 | 0 | 0 | 0 | 114 | G588 | G588-W590 VanDerWaalsContact CA-CD1 3.42Å; G588-W590 PolarHBondContact O-N 3.27Å | ||
| 591 | L | 25.4 | Very low | 29.4 | Very low | 121 Ų | 121 | 145.6 Ų | 145.6 | 63% | 0.634 | 79% | 0.79 | S | S | * | * | trans | -63.2 | 158.3 | 152.8 | -86.9 | 157.5 | 0 | 0 | 0 | 111 | ||||
| 592 | R | 27.3 | Very low | 29.5 | Very low | 168 Ų | 168 | 146.5 Ų | 146.5 | 63% | 0.634 | 79% | 0.793 | S | S | * | * | trans | 87.3 | 148.8 | 147 | -122.3 | -170.8 | -67.8 | -118.9 | 9.5 | 119.2 | ||||
| 593 | K | 29.4 | Very low | 29.5 | Very low | 170 Ų | 170 | 148.2 Ų | 148.2 | 74% | 0.739 | 79% | 0.793 | S | S | * | * | trans | 70.2 | 92.8 | 159.7 | -64.4 | -178.9 | 177.3 | -177.3 | 0 | 118.3 | ||||
| 594 | Y | 28.7 | Very low | 29.4 | Very low | 225 Ų | 225 | 146.1 Ų | 146.1 | 88% | 0.882 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 130.6 | 133.3 | -71.6 | -89.8 | 0 | 0 | 0 | 109.3 | ||
| 595 | P | 35.8 | Very low | 29.5 | Very low | 122 Ų | 122 | 143.5 Ų | 143.5 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 121.8 | 159.7 | 31.8 | -26.4 | 0 | 0 | 0 | 109.4 | ||
| 596 | T | 30.2 | Very low | 29.7 | Very low | 137 Ų | 137 | 144.2 Ų | 144.2 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 122.7 | 158 | 46.6 | 0 | 0 | 0 | 0 | 107.9 | ||
| 597 | D | 35.1 | Very low | 29.9 | Very low | 151 Ų | 151 | 138.7 Ų | 138.7 | 81% | 0.807 | 76% | 0.759 | S | S | * | * | trans | -147.4 | 167.8 | 153.9 | -141.6 | -21.7 | 0 | 0 | 0 | 111.8 | ||||
| 598 | N | 35.7 | Very low | 30.2 | Very low | 149 Ų | 149 | 138.9 Ų | 138.9 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | trans | -111 | 154.4 | -162 | -57.7 | -92.2 | 0 | 0 | 0 | 112.2 | ||||
| 599 | G | 30.9 | Very low | 30.3 | Very low | 75 Ų | 75 | 142.3 Ų | 142.3 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | trans | 107 | 134 | 141.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 600 | A | 32.2 | Very low | 30.5 | Very low | 91 Ų | 91 | 144.1 Ų | 144.1 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | trans | 55.2 | 104.5 | 151 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 601 | N | 28.1 | Very low | 30.2 | Very low | 154 Ų | 154 | 140.7 Ų | 140.7 | 82% | 0.824 | 76% | 0.756 | S | S | * | * | 33 | 117.6 | 123.3 | -54.7 | -13.3 | 0 | 0 | 0 | 118.8 | |||||
| 602 | I | 31.6 | Very low | 30.3 | Very low | 174 Ų | 174 | 139.5 Ų | 139.5 | 89% | 0.892 | 76% | 0.764 | S | S | * | * | -153.4 | 153.1 | 109.3 | -100.7 | 150.8 | 0 | 0 | 0 | 108.7 | |||||
| 603 | I | 27.4 | Very low | 30.1 | Very low | 144 Ų | 144 | 138.8 Ų | 138.8 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | trans | -100.2 | 135.4 | -174.5 | -63.7 | 162.8 | 0 | 0 | 0 | 108.6 | ||||
| 604 | D | 30.1 | Very low | 30 | Very low | 151 Ų | 151 | 138.3 Ų | 138.3 | 81% | 0.807 | 77% | 0.774 | S | S | * | * | trans | -150.7 | 94.4 | 138.8 | -124 | -32.7 | 0 | 0 | 0 | 114.7 | ||||
| 605 | T | 30.2 | Very low | 29.9 | Very low | 95 Ų | 95 | 131.1 Ų | 131.1 | 58% | 0.583 | 76% | 0.762 | S | S | * | * | 41 | 146.6 | 127.7 | -25.5 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 606 | L | 31.5 | Very low | 29.5 | Very low | 143 Ų | 143 | 131.2 Ų | 131.2 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | trans | 84 | 124.7 | 168.9 | -49.6 | 162.3 | 0 | 0 | 0 | 115.4 | ||||
| 607 | N | 31.4 | Very low | 29.4 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 61% | 0.61 | 76% | 0.761 | S | S | * | * | cis | -158.8 | 149.5 | -4.2 | -127.2 | -5.6 | 0 | 0 | 0 | 114.2 | ||||
| 608 | H | 32.7 | Very low | 29 | Very low | 143 Ų | 143 | 131.5 Ų | 131.5 | 66% | 0.662 | 76% | 0.762 | S | S | * | * | trans | 57.2 | 97.1 | 159.2 | -59.1 | -47.5 | 0 | 0 | 0 | 120 | ||||
| 609 | T | 29.3 | Very low | 28.8 | Very low | 112 Ų | 112 | 131.7 Ų | 131.7 | 69% | 0.687 | 76% | 0.762 | S | S | * | * | 67.7 | 130.2 | 88.1 | 58.3 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 610 | N | 29 | Very low | 28.6 | Very low | 158 Ų | 158 | 133.3 Ų | 133.3 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | cis | -139.7 | 152.6 | 13.1 | -80.5 | -51.8 | 0 | 0 | 0 | 112.3 | ||||
| 611 | L | 23.4 | Very low | 28.5 | Very low | 158 Ų | 158 | 137.8 Ų | 137.8 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | trans | -135.9 | 116.7 | 172.9 | -138.9 | 173.5 | 0 | 0 | 0 | 109.3 | I613 | L611-I613 HydrophobicContact CD2-CG1 4.26Š| ||
| 612 | A | 25.8 | Very low | 28.6 | Very low | 96 Ų | 96 | 140.7 Ų | 140.7 | 79% | 0.793 | 77% | 0.769 | S | S | * | * | trans | -105.8 | 110.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 613 | I | 24.1 | Very low | 28.4 | Very low | 152 Ų | 152 | 136.7 Ų | 136.7 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | trans | -96 | 125.3 | 175.1 | -60 | 173.5 | 0 | 0 | 0 | 108.4 | L611 | L611-I613 HydrophobicContact CD2-CG1 4.26Š| ||
| 614 | I | 26.5 | Very low | 28.5 | Very low | 160 Ų | 160 | 136 Ų | 136 | 82% | 0.821 | 77% | 0.767 | S | S | * | * | trans | -125.8 | 116 | 168.5 | -60.3 | -179.5 | 0 | 0 | 0 | 108.1 | ||||
| 615 | A | 27.6 | Very low | 28.5 | Very low | 75 Ų | 75 | 136.8 Ų | 136.8 | 62% | 0.62 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 148.8 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 616 | P | 27.1 | Very low | 28.5 | Very low | 124 Ų | 124 | 140.4 Ų | 140.4 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 134.9 | -174.6 | 30.3 | -34.8 | 0 | 0 | 0 | 112.6 | ||
| 617 | I | 27.9 | Very low | 28.2 | Very low | 157 Ų | 157 | 139.6 Ų | 139.6 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 122.4 | 166.9 | -64.4 | 174.5 | 0 | 0 | 0 | 108.8 | I619 | I617-I619 HydrophobicContact CG2-CG1 4.4Š|
| 618 | T | 26.5 | Very low | 28.4 | Very low | 137 Ų | 137 | 140.9 Ų | 140.9 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | trans | -99.3 | 116 | 178.7 | 14.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 619 | I | 30.9 | Very low | 28.2 | Very low | 153 Ų | 153 | 141.6 Ų | 141.6 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -133.5 | 137.9 | 165.7 | -62.3 | -176.2 | 0 | 0 | 0 | 108.4 | I617 | I617-I619 HydrophobicContact CG2-CG1 4.4Š| ||
| 620 | P | 28.2 | Very low | 28.3 | Very low | 108 Ų | 108 | 145.7 Ų | 145.7 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | trans | -105.1 | 161.3 | -156.6 | 39.5 | -37 | 0 | 0 | 0 | 116.9 | ||||
| 621 | Q | 29.3 | Very low | 28.4 | Very low | 185 Ų | 185 | 147.1 Ų | 147.1 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | trans | 39.6 | 112.6 | 147.3 | -64.6 | -176.5 | 1.3 | 0 | 0 | 120.4 | ||||
| 622 | K | 30.7 | Very low | 28.6 | Very low | 215 Ų | 215 | 147.2 Ų | 147.2 | 94% | 0.935 | 81% | 0.811 | S | S | * | * | -163.2 | 151.6 | 111.7 | -109.4 | 169.8 | -175.5 | 176 | 0 | 111.5 | |||||
| 623 | A | 26.5 | Very low | 28.7 | Very low | 90 Ų | 90 | 149.2 Ų | 149.2 | 74% | 0.744 | 81% | 0.808 | S | S | * | * | trans | -117.1 | 158 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 624 | P | 30.5 | Very low | 28.9 | Very low | 129 Ų | 129 | 147.5 Ų | 147.5 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | -123.6 | 163.1 | 131.9 | 35.7 | -29 | 0 | 0 | 0 | 111.7 | ||||
| 625 | Q | 28.7 | Very low | 29 | Very low | 169 Ų | 169 | 145.3 Ų | 145.3 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | -89.4 | 159.8 | 176.8 | -62.9 | 180 | -1.8 | 0 | 0 | 111.3 | ||||
| 626 | L | 30.3 | Very low | 28.9 | Very low | 171 Ų | 171 | 148.5 Ų | 148.5 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | trans | -135.2 | 126.7 | 152.2 | -147.8 | 78 | 0 | 0 | 0 | 108.5 | ||||
| 627 | N | 26.8 | Very low | 28.9 | Very low | 126 Ų | 126 | 150.4 Ų | 150.4 | 67% | 0.674 | 79% | 0.791 | S | S | * | * | trans | -97.8 | 144.6 | 172.8 | -71.4 | -15.3 | 0 | 0 | 0 | 109.6 | ||||
| 628 | T | 34.5 | Very low | 28.7 | Very low | 140 Ų | 140 | 151.1 Ų | 151.1 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | trans | -152.7 | 127.8 | 141.7 | 28.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 629 | D | 28.6 | Very low | 28.6 | Very low | 159 Ų | 159 | 151.7 Ų | 151.7 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | trans | -74.6 | 148.1 | 174.5 | -56.2 | -89.6 | 0 | 0 | 0 | 111.4 | ||||
| 630 | E | 32.2 | Very low | 28.4 | Very low | 197 Ų | 197 | 153.3 Ų | 153.3 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | -146.8 | 159.5 | 145.5 | -139.2 | 165.7 | -145.7 | 0 | 0 | 110.2 | ||||
| 631 | Q | 31.1 | Very low | 28.4 | Very low | 188 Ų | 188 | 154.5 Ų | 154.5 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | trans | -86.9 | 157 | -145.4 | -63.4 | -171.1 | 9 | 0 | 0 | 116.3 | ||||
| 632 | I | 27.3 | Very low | 28.3 | Very low | 161 Ų | 161 | 151.3 Ų | 151.3 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | trans | -75.1 | 136.5 | 168.7 | -62.9 | 164.9 | 0 | 0 | 0 | 108.9 | ||||
| 633 | D | 28.3 | Very low | 28.3 | Very low | 138 Ų | 138 | 147.6 Ų | 147.6 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | trans | -129.5 | 151.3 | 158 | -144.9 | -20.8 | 0 | 0 | 0 | 112.4 | V635 | D633-V635 PolarHBondContact O-N 3.38Š| ||
| 634 | K | 28.1 | Very low | 28.5 | Very low | 116 Ų | 116 | 149.2 Ų | 149.2 | 50% | 0.504 | 75% | 0.746 | S | S | . | * | trans | -93.2 | 96.6 | -162.7 | -66.2 | 170.7 | -174.7 | 162.2 | 0 | 112.2 | N636 F703 | K634-N636 PolarHBondContact O-N 2.9Å; K634-F703 HydrophobicContact CB-CE1 4.34Å; K634-F703 HydrophobicContact CB-CZ 4.07Å; K634-F703 HydrophobicContact CD-CE1 3.78Å; K634-F703 HydrophobicContact CD-CZ 3.79Å | ||
| 635 | V | 28.5 | Very low | 28.5 | Very low | 113 Ų | 113 | 148.1 Ų | 148.1 | 69% | 0.685 | 74% | 0.739 | S | S | * | * | trans | -82.3 | 113.6 | 170.2 | -174.1 | 0 | 0 | 0 | 0 | 111.2 | D633 F637 | D633-V635 PolarHBondContact O-N 3.38Å; V635-F637 HydrophobicContact CB-CD2 4.27Å; V635-F637 HydrophobicContact CB-CE2 3.87Å; V635-F637 HydrophobicContact CG1-CD2 3.84Å; V635-F637 HydrophobicContact CG1-CE2 3.41Å; V635-F637 VanDerWaalsContact CG1-CE2 3.41Å; V635-F637 HydrophobicContact CG1-CZ 3.81Å; V635-F637 PolarHBondContact O-N 3.4Å | ||
| 636 | N | 25.8 | Very low | 28.7 | Very low | 143 Ų | 143 | 145 Ų | 145 | 77% | 0.765 | 73% | 0.734 | S | S | * | * | trans | -84 | 86.7 | -175.8 | -173.2 | 0.5 | 0 | 0 | 0 | 111.7 | K634 K638 | K634-N636 PolarHBondContact O-N 2.9Å; N636-K638 VanDerWaalsContact C-N 3.26Å; N636-K638 PolarHBondContact O-N 3.19Å | ||
| 637 | F | 25.5 | Very low | 28.7 | Very low | 163 Ų | 163 | 146.3 Ų | 146.3 | 72% | 0.715 | 73% | 0.728 | S | S | * | * | trans | -74.5 | 70.9 | -179.7 | -79.8 | -80 | 0 | 0 | 0 | 113.5 | V635 | V635-F637 HydrophobicContact CB-CD2 4.27Å; V635-F637 HydrophobicContact CB-CE2 3.87Å; V635-F637 HydrophobicContact CG1-CD2 3.84Å; V635-F637 HydrophobicContact CG1-CE2 3.41Å; V635-F637 VanDerWaalsContact CG1-CE2 3.41Å; V635-F637 HydrophobicContact CG1-CZ 3.81Å; V635-F637 PolarHBondContact O-N 3.4Å | ||
| 638 | K | 24.3 | Very low | 28.7 | Very low | 172 Ų | 172 | 148.3 Ų | 148.3 | 75% | 0.748 | 74% | 0.738 | S | S | * | * | trans | -93.4 | 126.8 | 163.2 | -153.4 | 173.9 | -172.5 | 179.4 | 0 | 108.5 | N636 | N636-K638 VanDerWaalsContact C-N 3.26Å; N636-K638 PolarHBondContact O-N 3.19Å | ||
| 639 | N | 25.4 | Very low | 28.3 | Very low | 149 Ų | 149 | 148.5 Ų | 148.5 | 80% | 0.797 | 73% | 0.733 | S | S | * | * | trans | 67.1 | 96.2 | -175.3 | -50.2 | -12 | 0 | 0 | 0 | 114.9 | ||||
| 640 | F | 26.8 | Very low | 28.3 | Very low | 188 Ų | 188 | 152 Ų | 152 | 83% | 0.825 | 73% | 0.734 | S | S | * | * | trans | -142.3 | 130.8 | 152.5 | -123.3 | -83.9 | 0 | 0 | 0 | 110.9 | ||||
| 641 | I | 28.3 | Very low | 28 | Very low | 133 Ų | 133 | 149.1 Ų | 149.1 | 68% | 0.682 | 73% | 0.725 | S | S | * | * | trans | -79.2 | 140.8 | -176.5 | -65.3 | 169.2 | 0 | 0 | 0 | 109.6 | I643 | I641-I643 HydrophobicContact CG2-CG1 4.3Å; I641-I643 PolarHBondContact O-N 2.72Å | ||
| 642 | K | 26.7 | Very low | 28 | Very low | 117 Ų | 117 | 145.9 Ų | 145.9 | 51% | 0.509 | 72% | 0.718 | S | S | . | * | trans | -67.8 | 84.5 | 177 | -72.6 | 168.2 | 175.6 | 158.3 | 0 | 111.6 | E194 D195 | E194-K642 IonicContact OE1-NZ 2.67Å; E194-K642 PolarHBondContact OE1-NZ 3.03Å; D195-K642 IonicContact OD2-NZ 2.96Å; D195-K642 PolarHBondContact OD2-NZ 3.35Å | ||
| 643 | I | 30.5 | Very low | 28.1 | Very low | 137 Ų | 137 | 148 Ų | 148 | 70% | 0.703 | 72% | 0.722 | S | S | * | * | trans | -106.3 | 131.6 | 164.9 | -58.9 | 180 | 0 | 0 | 0 | 108.5 | I641 P645 | I641-I643 HydrophobicContact CG2-CG1 4.3Å; I641-I643 PolarHBondContact O-N 2.72Å; I643-P645 WeakPolarHBondContact O-CD 3.28Å | ||
| 644 | W | 29.7 | Very low | 28.2 | Very low | 124 Ų | 124 | 148.6 Ų | 148.6 | 47% | 0.47 | 72% | 0.723 | S | S | . | * | P | Polyproline II helix | trans | -72.2 | 129.8 | -174.9 | -71.7 | 27.6 | 0 | 0 | 0 | 112.5 | I230 | I230-W644 HydrophobicContact CG2-CZ3 4.32Š|
| 645 | P | 31.8 | Very low | 28.3 | Very low | 106 Ų | 106 | 150.6 Ų | 150.6 | 69% | 0.688 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 137.8 | 156.3 | -4.5 | 22.8 | 0 | 0 | 0 | 110 | I643 | I643-P645 WeakPolarHBondContact O-CD 3.28Š|
| 646 | P | 32.7 | Very low | 28.4 | Very low | 104 Ų | 104 | 149.6 Ų | 149.6 | 68% | 0.675 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 146.3 | 167.4 | 30 | -33.8 | 0 | 0 | 0 | 110.8 | L648 | P646-L648 PolarHBondContact O-N 3.16Š|
| 647 | Y | 30.2 | Very low | 28.7 | Very low | 199 Ų | 199 | 151.6 Ų | 151.6 | 78% | 0.78 | 74% | 0.74 | S | S | * | * | trans | -74.3 | 92.9 | -179.7 | -71.2 | -87.2 | 0 | 0 | 0 | 111.9 | L649 | Y647-L649 PolarHBondContact O-N 3.11Š| ||
| 648 | L | 26.3 | Very low | 29.2 | Very low | 168 Ų | 168 | 150.4 Ų | 150.4 | 88% | 0.88 | 75% | 0.745 | S | S | * | * | trans | -70.3 | 88.2 | 168.3 | -77.2 | 172.2 | 0 | 0 | 0 | 111.1 | P646 | P646-L648 PolarHBondContact O-N 3.16Š| ||
| 649 | L | 26.7 | Very low | 29.5 | Very low | 143 Ų | 143 | 148.1 Ų | 148.1 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | trans | -168.3 | 74.3 | 156.3 | -110.7 | 160 | 0 | 0 | 0 | 112.6 | Y647 | Y647-L649 PolarHBondContact O-N 3.11Š| ||
| 650 | R | 27.9 | Very low | 29.5 | Very low | 234 Ų | 234 | 146.7 Ų | 146.7 | 88% | 0.883 | 75% | 0.75 | S | S | * | * | trans | -102.5 | 95.8 | 155.2 | -93.4 | -165.1 | 176.3 | -153 | 0.4 | 109.5 | T652 | R650-T652 PolarHBondContact O-N 2.94Å; R650-T652 VanDerWaalsContact O-N 3.1Å | ||
| 651 | N | 26 | Very low | 29.8 | Very low | 135 Ų | 135 | 143 Ų | 143 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | trans | -73.2 | 92.7 | 159.9 | -75.3 | 1.8 | 0 | 0 | 0 | 108.2 | ||||
| 652 | T | 30.6 | Very low | 29.9 | Very low | 121 Ų | 121 | 142.6 Ų | 142.6 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 135.5 | 159.7 | 42.8 | 0 | 0 | 0 | 0 | 108.9 | R650 | R650-T652 PolarHBondContact O-N 2.94Å; R650-T652 VanDerWaalsContact O-N 3.1Å |
| 653 | F | 30.7 | Very low | 29.9 | Very low | 206 Ų | 206 | 145.3 Ų | 145.3 | 90% | 0.904 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 154.8 | -171.5 | -89.8 | -107.2 | 0 | 0 | 0 | 113.5 | ||
| 654 | I | 30 | Very low | 30 | Very low | 150 Ų | 150 | 144.1 Ų | 144.1 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 133.4 | 178.6 | -62.7 | 162.4 | 0 | 0 | 0 | 110 | P656 | I654-P656 HydrophobicContact CG2-CB 3.95Å; I654-P656 HydrophobicContact CG2-CG 4.48Å |
| 655 | N | 30.9 | Very low | 30.1 | Very low | 157 Ų | 157 | 147.9 Ų | 147.9 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | trans | -104.6 | 106.1 | 160.7 | -171 | 8.9 | 0 | 0 | 0 | 108.5 | ||||
| 656 | P | 29.7 | Very low | 29.9 | Very low | 92 Ų | 92 | 148.7 Ų | 148.7 | 60% | 0.597 | 80% | 0.803 | S | S | * | * | trans | -98.9 | 92.1 | -164.5 | 35.2 | -32.3 | 0 | 0 | 0 | 113.7 | I654 | I654-P656 HydrophobicContact CG2-CB 3.95Å; I654-P656 HydrophobicContact CG2-CG 4.48Å | ||
| 657 | H | 32.8 | Very low | 29.8 | Very low | 186 Ų | 186 | 151.7 Ų | 151.7 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | trans | -166 | 88.6 | 159.4 | -93.4 | -62.3 | 0 | 0 | 0 | 113.5 | ||||
| 658 | V | 35.3 | Very low | 29.8 | Very low | 137 Ų | 137 | 148 Ų | 148 | 83% | 0.83 | 81% | 0.812 | S | S | * | * | trans | -159.2 | 139.1 | 142.6 | 171.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 659 | P | 30.2 | Very low | 29.7 | Very low | 125 Ų | 125 | 148.3 Ų | 148.3 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | trans | -74 | 171.3 | -179.8 | -18.9 | 34.1 | 0 | 0 | 0 | 116 | ||||
| 660 | S | 25.9 | Very low | 29.7 | Very low | 119 Ų | 119 | 145.6 Ų | 145.6 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | trans | -90.8 | 150.6 | -172.6 | 54.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 661 | S | 32.7 | Very low | 29.6 | Very low | 111 Ų | 111 | 139.5 Ų | 139.5 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | trans | -158.6 | 156.6 | 150.1 | 60.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 662 | C | 30.8 | Very low | 29.8 | Very low | 124 Ų | 124 | 143.7 Ų | 143.7 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | trans | 64.2 | 96.9 | 167.8 | -60.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 663 | L | 26.2 | Very low | 29.7 | Very low | 173 Ų | 173 | 146.1 Ų | 146.1 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | trans | -84.7 | 149.4 | 159.2 | -52.8 | 84.2 | 0 | 0 | 0 | 110.8 | ||||
| 664 | S | 32.5 | Very low | 29.6 | Very low | 112 Ų | 112 | 144.8 Ų | 144.8 | 78% | 0.783 | 81% | 0.812 | S | S | * | * | -176.9 | 111.6 | 128.4 | 56.9 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 665 | K | 31.3 | Very low | 29.5 | Very low | 203 Ų | 203 | 143.4 Ų | 143.4 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | trans | 41.2 | 138.5 | 141.3 | -59.5 | -178 | 179.4 | 179.6 | 0 | 122.5 | ||||
| 666 | P | 27.7 | Very low | 29.4 | Very low | 124 Ų | 124 | 143.4 Ų | 143.4 | 81% | 0.805 | 81% | 0.81 | S | S | * | * | trans | -97 | 160.2 | 177.3 | 39.3 | -35.9 | 0 | 0 | 0 | 115.2 | ||||
| 667 | I | 31.4 | Very low | 29.4 | Very low | 166 Ų | 166 | 146 Ų | 146 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | trans | -141.8 | 150.9 | 174.7 | -70.9 | -172.8 | 0 | 0 | 0 | 108.7 | ||||
| 668 | P | 29.7 | Very low | 29.3 | Very low | 121 Ų | 121 | 144.1 Ų | 144.1 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | trans | -104.1 | -174.8 | -151.8 | 40.7 | -36.9 | 0 | 0 | 0 | 117.2 | ||||
| 669 | L | 24.2 | Very low | 29.1 | Very low | 175 Ų | 175 | 142.4 Ų | 142.4 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | trans | -58.4 | 127.6 | -177.2 | -83.3 | 70.9 | 0 | 0 | 0 | 114.7 | ||||
| 670 | A | 26.9 | Very low | 29.2 | Very low | 87 Ų | 87 | 144 Ų | 144 | 72% | 0.719 | 80% | 0.798 | S | S | * | * | trans | -157.5 | 154.8 | 144.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 671 | S | 27.1 | Very low | 29.5 | Very low | 106 Ų | 106 | 142.9 Ų | 142.9 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | trans | 47.6 | 117.4 | 164.8 | 59.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 672 | Y | 28.9 | Very low | 29.6 | Very low | 223 Ų | 223 | 144.8 Ų | 144.8 | 88% | 0.875 | 79% | 0.787 | S | S | * | * | -156.5 | 138.6 | 112.4 | -125.5 | -89.2 | 0 | 0 | 0 | 110.9 | |||||
| 673 | Q | 27.9 | Very low | 29.7 | Very low | 171 Ų | 171 | 147.6 Ų | 147.6 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | trans | -130.4 | 166 | 169.2 | -77.6 | -171.6 | -65.5 | 0 | 0 | 108.4 | ||||
| 674 | Q | 29.5 | Very low | 30 | Very low | 179 Ų | 179 | 144.9 Ų | 144.9 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | trans | 73 | 146.2 | -176.6 | -47.6 | 178.7 | 7 | 0 | 0 | 111.3 | ||||
| 675 | T | 29 | Very low | 29.8 | Very low | 121 Ų | 121 | 146.4 Ų | 146.4 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | cis | -137.8 | 153.7 | 30.5 | -63.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 676 | L | 27.8 | Very low | 29.8 | Very low | 156 Ų | 156 | 143.1 Ų | 143.1 | 82% | 0.817 | 78% | 0.775 | S | S | * | * | trans | -23.4 | 156.2 | 161.9 | -61.6 | 159.2 | 0 | 0 | 0 | 116.5 | ||||
| 677 | E | 29.3 | Very low | 30 | Very low | 146 Ų | 146 | 146.2 Ų | 146.2 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | cis | -151.2 | -163.1 | 28.3 | -139.9 | -171.1 | 168.3 | 0 | 0 | 109.3 | ||||
| 678 | K | 30.5 | Very low | 30.1 | Very low | 147 Ų | 147 | 143.4 Ų | 143.4 | 64% | 0.639 | 77% | 0.772 | S | S | * | * | cis | -161 | -179.3 | 6.4 | -152.6 | 169.7 | -170.8 | 75.4 | 0 | 110.4 | ||||
| 679 | C | 31.5 | Very low | 30.5 | Very low | 102 Ų | 102 | 147.5 Ų | 147.5 | 69% | 0.689 | 78% | 0.777 | S | S | * | * | trans | 67.6 | 82.7 | 160.1 | -63.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 680 | D | 31.4 | Very low | 31.1 | Very low | 158 Ų | 158 | 147.8 Ų | 147.8 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | 19.6 | 141 | 120.7 | -63.5 | -67.7 | 0 | 0 | 0 | 120.5 | |||||
| 681 | S | 33.7 | Very low | 31.8 | Very low | 96 Ų | 96 | 147.9 Ų | 147.9 | 67% | 0.671 | 77% | 0.767 | S | S | * | * | cis | -163.2 | 160.9 | 22.4 | 40.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 682 | H | 34.2 | Very low | 32.9 | Very low | 151 Ų | 151 | 146.4 Ų | 146.4 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | trans | 73.2 | 109.2 | 148.8 | -75.6 | -21.2 | 0 | 0 | 0 | 123.6 | ||||
| 683 | K | 32.9 | Very low | 34.4 | Very low | 183 Ų | 183 | 142.6 Ų | 142.6 | 80% | 0.796 | 75% | 0.751 | S | S | * | * | trans | 71.5 | 140.2 | 134.6 | -58.7 | 164.1 | -174.7 | 164.5 | 0 | 117.3 | ||||
| 684 | S | 33.3 | Very low | 36 | Very low | 116 Ų | 116 | 140.2 Ų | 140.2 | 81% | 0.811 | 74% | 0.744 | S | S | * | * | cis | -135 | 168.9 | 5.6 | 65.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 685 | L | 27.2 | Very low | 37.4 | Very low | 143 Ų | 143 | 137.2 Ų | 137.2 | 75% | 0.749 | 73% | 0.73 | S | S | * | * | trans | -117.8 | 128.3 | -171.6 | -161.1 | 88.7 | 0 | 0 | 0 | 111.5 | K687 | L685-K687 HydrophobicContact CD2-CD 4.36Å; L685-K687 HydrophobicContact CD2-CG 4.04Å | ||
| 686 | V | 32.4 | Very low | 38.7 | Very low | 134 Ų | 134 | 136.3 Ų | 136.3 | 81% | 0.812 | 72% | 0.717 | S | S | * | * | trans | -125 | 113.8 | 165.9 | -180 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 687 | K | 30.8 | Very low | 40.5 | Very low | 189 Ų | 189 | 134.9 Ų | 134.9 | 82% | 0.822 | 71% | 0.707 | S | S | * | * | trans | -95.7 | 130.9 | 172.9 | -72.2 | -179.4 | 173.8 | -178.4 | 0 | 109.7 | L685 | L685-K687 HydrophobicContact CD2-CD 4.36Å; L685-K687 HydrophobicContact CD2-CG 4.04Å | ||
| 688 | S | 33.6 | Very low | 42.3 | Very low | 108 Ų | 108 | 137 Ų | 137 | 76% | 0.755 | 71% | 0.708 | S | S | * | * | trans | -135.9 | 97.2 | 170.4 | 57.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 689 | K | 38.1 | Very low | 43.9 | Very low | 206 Ų | 206 | 134.5 Ų | 134.5 | 90% | 0.896 | 70% | 0.701 | S | S | * | * | trans | 34.6 | 123.1 | 153.4 | -63.9 | -178 | 175.9 | -177.7 | 0 | 119.7 | ||||
| 690 | Q | 37.9 | Very low | 45.6 | Very low | 182 Ų | 182 | 133.9 Ų | 133.9 | 85% | 0.85 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 156.7 | 147 | -79.2 | -173.6 | -67.2 | 0 | 0 | 110.7 | ||
| 691 | P | 40.7 | Very low | 47.3 | Very low | 89 Ų | 89 | 132.4 Ų | 132.4 | 58% | 0.578 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 160.8 | 171.7 | 30.2 | -36.5 | 0 | 0 | 0 | 111.5 | E695 | P691-E695 WeakPolarHBondContact CB-OE2 3.43Š|
| 692 | S | 50.4 | Low | 48.6 | Very low | 74 Ų | 74 | 133.1 Ų | 133.1 | 52% | 0.517 | 67% | 0.672 | S | S | . | * | P | Polyproline II helix | trans | -88.1 | 156.1 | 175.5 | 52.2 | 0 | 0 | 0 | 0 | 112 | N694 E695 | S692-N694 PolarHBondContact O-N 3.45Å; S692-E695 PolarHBondContact O-N 3.46Å |
| 693 | D | 59.5 | Low | 49.2 | Very low | 144 Ų | 144 | 130.7 Ų | 130.7 | 77% | 0.77 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -54.3 | -30.6 | -174.1 | -47.5 | -72.5 | 0 | 0 | 0 | 113.4 | E695 Q696 E697 | D693-E695 VanDerWaalsContact C-N 3.27Å; D693-E695 PolarHBondContact O-N 3.06Å; D693-Q696 WeakPolarHBondContact O-CB 3.47Å; D693-Q696 PolarHBondContact O-N 3.36Å; D693-E697 PolarHBondContact O-N 3.06Å |
| 694 | N | 62.4 | Low | 50.2 | Low | 121 Ų | 121 | 127.6 Ų | 127.6 | 65% | 0.647 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -66 | -22.7 | 179.7 | -147.1 | -24.5 | 0 | 0 | 0 | 113.3 | S692 | S692-N694 PolarHBondContact O-N 3.45Å |
| 695 | E | 59.2 | Low | 51.1 | Low | 116 Ų | 116 | 128.3 Ų | 128.3 | 54% | 0.542 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -80.9 | -35.6 | 168.9 | -65.9 | -163.7 | 119.9 | 0 | 0 | 111.8 | P691 S692 D693 R698 I699 | P691-E695 WeakPolarHBondContact CB-OE2 3.43Å; S692-E695 PolarHBondContact O-N 3.46Å; D693-E695 VanDerWaalsContact C-N 3.27Å; D693-E695 PolarHBondContact O-N 3.06Å; E695-R698 WeakPolarHBondContact O-CB 3.23Å; E695-R698 PolarHBondContact O-N 3.24Å; E695-I699 WeakPolarHBondContact O-CG1 3.43Å; E695-I699 PolarHBondContact O-N 3.33Å |
| 696 | Q | 55.7 | Low | 51.8 | Low | 101 Ų | 101 | 125.9 Ų | 125.9 | 47% | 0.472 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -67.8 | -42 | 178.8 | -167.4 | 63 | 51.1 | 0 | 0 | 111.6 | D693 R698 I699 N700 | D693-Q696 WeakPolarHBondContact O-CB 3.47Å; D693-Q696 PolarHBondContact O-N 3.36Å; Q696-R698 VanDerWaalsContact C-N 3.27Å; Q696-R698 PolarHBondContact O-N 3.28Å; Q696-I699 PolarHBondContact O-N 2.82Å; Q696-N700 PolarHBondContact NE2-OD1 2.83Å; Q696-N700 VanDerWaalsContact O-CG 3.23Å; Q696-N700 PolarHBondContact O-N 3.37Å; Q696-N700 PolarHBondContact O-OD1 2.82Å |
| 697 | E | 66.7 | Low | 52.2 | Low | 127 Ų | 127 | 123.6 Ų | 123.6 | 59% | 0.593 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -59.5 | -39.3 | 173.2 | -169.5 | -179.8 | 166.7 | 0 | 0 | 111.5 | D693 I699 N700 K701 | D693-E697 PolarHBondContact O-N 3.06Å; E697-I699 PolarHBondContact O-N 3.42Å; E697-N700 PolarHBondContact O-N 3.35Å; E697-K701 WeakPolarHBondContact O-CB 3.2Å; E697-K701 PolarHBondContact O-N 3.02Å |
| 698 | R | 66.7 | Low | 52.5 | Low | 191 Ų | 191 | 121.9 Ų | 121.9 | 72% | 0.721 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -68.1 | -34 | 178.8 | -157.2 | 174.5 | -171.8 | -175.3 | 2.7 | 112.9 | E695 Q696 L702 | E695-R698 WeakPolarHBondContact O-CB 3.23Å; E695-R698 PolarHBondContact O-N 3.24Å; Q696-R698 VanDerWaalsContact C-N 3.27Å; Q696-R698 PolarHBondContact O-N 3.28Å; R698-L702 PolarHBondContact O-N 3.42Å |
| 699 | I | 64.3 | Low | 52.5 | Low | 93 Ų | 93 | 121.3 Ų | 121.3 | 48% | 0.477 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -68.7 | -45.4 | 172.1 | -69.6 | 165.7 | 0 | 0 | 0 | 110.7 | E695 Q696 E697 K701 L702 F703 | E695-I699 WeakPolarHBondContact O-CG1 3.43Å; E695-I699 PolarHBondContact O-N 3.33Å; Q696-I699 PolarHBondContact O-N 2.82Å; E697-I699 PolarHBondContact O-N 3.42Å; I699-K701 VanDerWaalsContact C-N 3.3Å; I699-K701 PolarHBondContact O-N 3.05Å; I699-L702 PolarHBondContact O-N 2.82Å; I699-F703 PolarHBondContact O-N 3.17Å |
| 700 | N | 66.7 | Low | 52.3 | Low | 89 Ų | 89 | 117.8 Ų | 117.8 | 48% | 0.476 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -61 | -40.3 | 179.4 | -66.1 | -5 | 0 | 0 | 0 | 111.5 | Q696 E697 L702 F703 E704 | Q696-N700 PolarHBondContact NE2-OD1 2.83Å; Q696-N700 VanDerWaalsContact O-CG 3.23Å; Q696-N700 PolarHBondContact O-N 3.37Å; Q696-N700 PolarHBondContact O-OD1 2.82Å; E697-N700 PolarHBondContact O-N 3.35Å; N700-L702 PolarHBondContact O-N 3.27Å; N700-F703 WeakPolarHBondContact O-CA 3.39Å; N700-F703 WeakPolarHBondContact O-CB 3.13Å; N700-F703 PolarHBondContact O-N 3.48Å; N700-E704 PolarHBondContact O-N 2.99Å; N700-E704 VanDerWaalsContact O-N 3.09Å |
| 701 | K | 68 | Low | 52 | Low | 128 Ų | 128 | 114.6 Ų | 114.6 | 56% | 0.557 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64.2 | -39.6 | -179.6 | -157 | 167.5 | -170 | 167.9 | 0 | 113.4 | E697 I699 F703 E704 E705 | E697-K701 WeakPolarHBondContact O-CB 3.2Å; E697-K701 PolarHBondContact O-N 3.02Å; I699-K701 VanDerWaalsContact C-N 3.3Å; I699-K701 PolarHBondContact O-N 3.05Å; K701-F703 PolarHBondContact O-N 3.38Å; K701-E704 PolarHBondContact O-N 3.43Å; K701-E705 WeakPolarHBondContact O-CG 3.06Å; K701-E705 PolarHBondContact O-N 3.35Å; K701-E705 VanDerWaalsContact O-N 3.08Å |
| 702 | L | 60 | Low | 51.6 | Low | 111 Ų | 111 | 118.9 Ų | 118.9 | 58% | 0.581 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -63.9 | -27.5 | 172.6 | -74.1 | 166.1 | 0 | 0 | 0 | 112.8 | R698 I699 N700 S706 | R698-L702 PolarHBondContact O-N 3.42Å; I699-L702 PolarHBondContact O-N 2.82Å; N700-L702 PolarHBondContact O-N 3.27Å; L702-S706 PolarHBondContact O-N 2.8Å; L702-S706 PolarHBondContact O-OG 3.34Å |
| 703 | F | 48.1 | Very low | 50.7 | Low | 99 Ų | 99 | 126.4 Ų | 126.4 | 43% | 0.434 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -75.4 | -40.2 | 175 | -119.3 | -110.1 | 0 | 0 | 0 | 112.1 | K634 I699 N700 K701 S706 | K634-F703 HydrophobicContact CB-CE1 4.34Å; K634-F703 HydrophobicContact CB-CZ 4.07Å; K634-F703 HydrophobicContact CD-CE1 3.78Å; K634-F703 HydrophobicContact CD-CZ 3.79Å; I699-F703 PolarHBondContact O-N 3.17Å; N700-F703 WeakPolarHBondContact O-CA 3.39Å; N700-F703 WeakPolarHBondContact O-CB 3.13Å; N700-F703 PolarHBondContact O-N 3.48Å; K701-F703 PolarHBondContact O-N 3.38Å; F703-S706 PolarHBondContact O-N 3.04Å |
| 704 | E | 53.4 | Low | 49.5 | Very low | 119 Ų | 119 | 129 Ų | 129 | 56% | 0.556 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -63.2 | -46.1 | 174 | -80.1 | -137.4 | 155.9 | 0 | 0 | 113 | N700 K701 S706 C707 K708 | N700-E704 PolarHBondContact O-N 2.99Å; N700-E704 VanDerWaalsContact O-N 3.09Å; K701-E704 PolarHBondContact O-N 3.43Å; E704-S706 PolarHBondContact O-N 2.87Å; E704-C707 PolarHBondContact O-N 3.4Å; E704-C707 VanDerWaalsContact O-N 3.1Å; E704-K708 IonicContact OE2-NZ 3.22Å; E704-K708 PolarHBondContact OE2-NZ 3.39Å |
| 705 | E | 52.3 | Low | 48.2 | Very low | 131 Ų | 131 | 133.1 Ų | 133.1 | 61% | 0.612 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -63.4 | -29.2 | -179 | -72.4 | 172.8 | -176.8 | 0 | 0 | 111.5 | K701 C707 | K701-E705 WeakPolarHBondContact O-CG 3.06Å; K701-E705 PolarHBondContact O-N 3.35Å; K701-E705 VanDerWaalsContact O-N 3.08Å; E705-C707 PolarHBondContact O-N 3.45Å |
| 706 | S | 42.3 | Very low | 46.9 | Very low | 91 Ų | 91 | 131 Ų | 131 | 64% | 0.636 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -1.3 | 175.5 | -61.7 | 0 | 0 | 0 | 0 | 115.1 | L702 F703 E704 | L702-S706 PolarHBondContact O-N 2.8Å; L702-S706 PolarHBondContact O-OG 3.34Å; F703-S706 PolarHBondContact O-N 3.04Å; E704-S706 PolarHBondContact O-N 2.87Å |
| 707 | C | 39.3 | Very low | 45.8 | Very low | 86 Ų | 86 | 135.6 Ų | 135.6 | 58% | 0.581 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.5 | 13.5 | -169.4 | -83.9 | 0 | 0 | 0 | 0 | 115.3 | E704 E705 | E704-C707 PolarHBondContact O-N 3.4Å; E704-C707 VanDerWaalsContact O-N 3.1Å; E705-C707 PolarHBondContact O-N 3.45Å |
| 708 | K | 36.7 | Very low | 44.2 | Very low | 153 Ų | 153 | 136.6 Ų | 136.6 | 67% | 0.665 | 70% | 0.701 | S | S | * | * | trans | -124.9 | 79.6 | -176.8 | -69.6 | 168.2 | 179.5 | 161.2 | 0 | 113 | E704 | E704-K708 IonicContact OE2-NZ 3.22Å; E704-K708 PolarHBondContact OE2-NZ 3.39Å | ||
| 709 | A | 34.7 | Very low | 42.6 | Very low | 96 Ų | 96 | 132.8 Ų | 132.8 | 79% | 0.793 | 70% | 0.699 | S | S | * | * | trans | -143.4 | 137.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 710 | P | 34.4 | Very low | 41.1 | Very low | 133 Ų | 133 | 134.3 Ų | 134.3 | 86% | 0.864 | 71% | 0.713 | S | S | * | * | trans | -92.9 | 160.9 | -161.7 | -5.6 | 26.5 | 0 | 0 | 0 | 115.1 | ||||
| 711 | S | 30.7 | Very low | 39.7 | Very low | 114 Ų | 114 | 143.5 Ų | 143.5 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | trans | -80.6 | 139.4 | 174.2 | 59.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 712 | L | 33.4 | Very low | 38.2 | Very low | 179 Ų | 179 | 144.3 Ų | 144.3 | 94% | 0.937 | 76% | 0.758 | S | S | * | * | trans | -129.5 | 115.1 | 163.6 | -82.9 | 172.6 | 0 | 0 | 0 | 110.3 | ||||
| 713 | R | 29.8 | Very low | 37.1 | Very low | 233 Ų | 233 | 146 Ų | 146 | 88% | 0.879 | 77% | 0.768 | S | S | * | * | trans | -101.6 | 132.8 | 165.3 | -65.7 | 179.6 | -179.8 | 175.3 | 0.5 | 108.8 | ||||
| 714 | K | 35.5 | Very low | 36.5 | Very low | 198 Ų | 198 | 148.6 Ų | 148.6 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | trans | -167.1 | 154.8 | 142.4 | -109 | 156.9 | -178.3 | -177.8 | 0 | 113 | ||||
| 715 | F | 34.5 | Very low | 35.5 | Very low | 207 Ų | 207 | 150.4 Ų | 150.4 | 91% | 0.908 | 80% | 0.8 | S | S | * | * | trans | -36.9 | 157 | 170.4 | -61.6 | -110.1 | 0 | 0 | 0 | 115.3 | ||||
| 716 | G | 32.9 | Very low | 34.4 | Very low | 72 Ų | 72 | 151.6 Ų | 151.6 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | cis | 178.4 | -155.1 | 6.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 717 | K | 32 | Very low | 33.9 | Very low | 197 Ų | 197 | 155.6 Ų | 155.6 | 86% | 0.857 | 82% | 0.823 | S | S | * | * | trans | -50.7 | 142.1 | -171.1 | -56.2 | 170.1 | 177 | 178.2 | 0 | 116.1 | ||||
| 718 | L | 32.8 | Very low | 33.5 | Very low | 149 Ų | 149 | 160.6 Ų | 160.6 | 78% | 0.78 | 84% | 0.84 | S | S | * | * | 179 | 112 | 113.3 | -111.1 | 79 | 0 | 0 | 0 | 108.1 | |||||
| 719 | T | 32.6 | Very low | 33.3 | Very low | 110 Ų | 110 | 161.2 Ų | 161.2 | 68% | 0.675 | 85% | 0.854 | S | S | * | * | 65.6 | 122.4 | 97.5 | 60.7 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 720 | T | 34 | Very low | 33.2 | Very low | 126 Ų | 126 | 166.6 Ų | 166.6 | 77% | 0.773 | 86% | 0.859 | S | S | * | * | trans | 53.9 | 104.7 | 154.5 | 49.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 721 | F | 35.6 | Very low | 33.1 | Very low | 281 Ų | 281 | 169.6 Ų | 169.6 | 100% | 1.232 | 86% | 0.858 | S | S | * | * | -142.4 | 0 | 88.9 | -113.7 | -81 | 0 | 0 | 0 | 110.3 |
Retrieved 721 of 721 residues in 129 ms
(Link to these results)