| 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 | 35 | Very low | 66.6 | Low | 239 Ų | 239 | 106.6 Ų | 106.6 | 100% | 1.177 | 50% | 0.496 | S | S | * | . | 0 | 97.6 | 0 | -76.8 | -175.7 | -86.6 | 0 | 0 | 106.2 | K3 | M1-K3 PolarHBondContact O-N 3.39Š| |||
| 2 | E | 33.6 | Very low | 69.3 | Low | 196 Ų | 196 | 97.8 Ų | 97.8 | 92% | 0.916 | 46% | 0.455 | S | S | * | . | trans | -54.4 | 122.7 | 170.2 | -79.6 | 170.4 | 147.8 | 0 | 0 | 107.5 | Q4 | E2-Q4 PolarHBondContact O-N 3.38Š| ||
| 3 | K | 38.8 | Very low | 71.5 | Confident | 194 Ų | 194 | 90.2 Ų | 90.2 | 84% | 0.843 | 42% | 0.42 | S | S | * | . | trans | -67.6 | 105.1 | 170.3 | -81.5 | 179.9 | 172.4 | -178.4 | 0 | 105.8 | M1 D5 | M1-K3 PolarHBondContact O-N 3.39Å; K3-D5 PolarHBondContact O-N 3.42Å | ||
| 4 | Q | 47.7 | Very low | 73.4 | Confident | 106 Ų | 106 | 83.8 Ų | 83.8 | 50% | 0.495 | 39% | 0.39 | S | S | . | . | trans | -50.6 | 136.8 | 162.9 | -80.6 | 172.7 | -27.3 | 0 | 0 | 108.2 | E2 R6 | E2-Q4 PolarHBondContact O-N 3.38Å; Q4-R6 VanDerWaalsContact C-N 3.34Å; Q4-R6 PolarHBondContact O-N 3.41Å | ||
| 5 | D | 56.4 | Low | 75 | Confident | 155 Ų | 155 | 78.2 Ų | 78.2 | 83% | 0.829 | 36% | 0.364 | S | S | * | . | trans | -68.6 | 92.1 | -175.4 | -132.6 | 1.3 | 0 | 0 | 0 | 108.4 | K3 Q7 | K3-D5 PolarHBondContact O-N 3.42Å; D5-Q7 PolarHBondContact O-N 2.94Å | ||
| 6 | R | 62 | Low | 76.2 | Confident | 137 Ų | 137 | 73.3 Ų | 73.3 | 52% | 0.517 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 119.5 | -179.7 | -75.8 | -178.3 | 173.9 | -176.1 | -4.1 | 109.4 | Q4 F8 E208 | Q4-R6 VanDerWaalsContact C-N 3.34Å; Q4-R6 PolarHBondContact O-N 3.41Å; R6-F8 HydrophobicContact CB-CE2 4.21Å; R6-F8 HydrophobicContact CB-CZ 4.44Å; R6-E208 WeakPolarHBondContact CA-O 3.47Å; R6-E208 HydrophobicContact CG-CB 4.15Å; R6-E208 IonicContact CZ-OE2 2.96Å; R6-E208 VanDerWaalsContact CZ-OE2 3.29Å; R6-E208 IonicContact NE-OE2 2.86Å; R6-E208 PolarHBondContact NE-OE2 3.04Å; R6-E208 IonicContact NH2-OE2 3.17Å; R6-E208 PolarHBondContact NH2-OE2 3.08Å |
| 7 | Q | 82.4 | Confident | 76.9 | Confident | 78 Ų | 78 | 69.4 Ų | 69.4 | 36% | 0.364 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 124.1 | 173.4 | -175.2 | 169.9 | 0.9 | 0 | 0 | 109.2 | D5 E208 E209 N210 | D5-Q7 PolarHBondContact O-N 2.94Å; Q7-E208 PolarHBondContact N-O 2.85Å; Q7-E208 VanDerWaalsContact N-O 3.1Å; Q7-E209 HydrophobicContact CB-CG 4.34Å; Q7-E209 CarbonylContact O-C 3.44Å; Q7-E209 WeakPolarHBondContact O-CA 3.47Å; Q7-N210 PolarHBondContact O-N 2.85Å |
| 8 | F | 89.8 | Confident | 77.6 | Confident | 50 Ų | 50 | 66.2 Ų | 66.2 | 22% | 0.219 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 127.2 | 175.9 | -70.4 | -80.4 | 0 | 0 | 0 | 109.6 | R6 N210 M317 I321 | R6-F8 HydrophobicContact CB-CE2 4.21Å; R6-F8 HydrophobicContact CB-CZ 4.44Å; F8-N210 WeakPolarHBondContact CA-O 3.27Å; F8-N210 HydrophobicContact CD1-CB 4.19Å; F8-N210 HydrophobicContact CE1-CB 4.18Å; F8-M317 HydrophobicContact CB-SD 3.6Å; F8-M317 VanDerWaalsContact CB-SD 3.6Å; F8-M317 HydrophobicContact CD1-CG 4.32Å; F8-M317 HydrophobicContact CD1-SD 4.04Å; F8-M317 HydrophobicContact CG-CG 4.38Å; F8-M317 HydrophobicContact CG-SD 3.83Å; F8-I321 HydrophobicContact CD1-CD1 4.49Å; F8-I321 HydrophobicContact CE1-CD1 3.5Å; F8-I321 VanDerWaalsContact CE1-CD1 3.5Å; F8-I321 HydrophobicContact CZ-CD1 3.65Å |
| 9 | N | 93.2 | Very high | 78.4 | Confident | 5 Ų | 5 | 62.8 Ų | 62.8 | 3% | 0.027 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 128.1 | -179.6 | -70.3 | -90.3 | 0 | 0 | 0 | 110.6 | L11 D44 F194 E209 N210 G212 | N9-L11 HydrophobicContact CB-CD1 4.17Å; N9-L11 VanDerWaalsContact O-CD1 3.29Å; N9-L11 WeakPolarHBondContact O-CD1 3.5Å; N9-D44 VanDerWaalsContact CA-OD2 3.24Å; N9-D44 WeakPolarHBondContact CA-OD2 3.44Å; N9-D44 HydrophobicContact CB-CB 4.13Å; N9-F194 HydrophobicContact CB-CE2 3.57Å; N9-F194 HydrophobicContact CB-CZ 4.06Å; N9-E209 PolarHBondContact ND2-OE2 3.44Å; N9-N210 PolarHBondContact N-O 2.93Å; N9-G212 PolarHBondContact O-N 3.05Å |
| 10 | N | 95.6 | Very high | 79.1 | Confident | 13 Ų | 13 | 60.1 Ų | 60.1 | 7% | 0.07 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 131.1 | 176.5 | -60.3 | -41.8 | 0 | 0 | 0 | 110.6 | C42 F43 D44 W45 C213 M317 | N10-C42 VanDerWaalsContact CB-O 3.27Å; N10-C42 WeakPolarHBondContact CB-O 3.49Å; N10-C42 PolarHBondContact ND2-O 2.95Å; N10-F43 HydrophobicContact CB-CD1 3.83Å; N10-F43 HydrophobicContact CB-CE1 4.24Å; N10-D44 PolarHBondContact N-OD2 2.98Å; N10-D44 PolarHBondContact O-N 3.28Å; N10-W45 PolarHBondContact O-N 3.2Å; N10-C213 PolarHBondContact OD1-N 3.28Å; N10-C213 PolarHBondContact OD1-SG 3.42Å; N10-C213 VanDerWaalsContact OD1-SG 3.37Å; N10-M317 WeakPolarHBondContact OD1-CE 3.4Å |
| 11 | L | 98.1 | Very high | 79.9 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 137 | -176.3 | -79.2 | 58.3 | 0 | 0 | 0 | 109.8 | N9 W45 L190 M191 F194 I211 C213 V214 V215 | N9-L11 HydrophobicContact CB-CD1 4.17Å; N9-L11 VanDerWaalsContact O-CD1 3.29Å; N9-L11 WeakPolarHBondContact O-CD1 3.5Å; L11-W45 WeakPolarHBondContact CA-O 3.22Å; L11-W45 HydrophobicContact CB-CB 4.42Å; L11-W45 HydrophobicContact CD1-CB 3.96Å; L11-W45 HydrophobicContact CD1-CG 4.19Å; L11-W45 HydrophobicContact CG-CB 3.7Å; L11-W45 HydrophobicContact CG-CG 4.29Å; L11-L190 HydrophobicContact CB-CD2 3.97Å; L11-L190 HydrophobicContact CD2-CD2 4.45Å; L11-L190 HydrophobicContact CD2-CG 4.13Å; L11-L190 HydrophobicContact CG-CD2 4.21Å; L11-L190 HydrophobicContact CG-CG 4.28Å; L11-M191 HydrophobicContact CD2-CG 4.08Å; L11-F194 HydrophobicContact CD1-CD2 4.18Å; L11-F194 HydrophobicContact CD1-CE2 4.38Å; L11-F194 HydrophobicContact CD2-CB 4.15Å; L11-F194 HydrophobicContact CD2-CG 4.29Å; L11-I211 HydrophobicContact CD2-CD1 4.25Å; L11-I211 HydrophobicContact CD2-CG1 4.42Å; L11-C213 PolarHBondContact N-O 2.76Å; L11-V214 HydrophobicContact CB-CG1 4.48Å; L11-V214 HydrophobicContact CB-CG2 4.28Å; L11-V214 HydrophobicContact CD2-CG2 4.44Å; L11-V214 CarbonylContact O-C 3.58Å; L11-V214 WeakPolarHBondContact O-CA 3.27Å; L11-V215 PolarHBondContact O-N 3.02Å |
| 12 | I | 98.5 | Very high | 82.8 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 137.5 | 170.7 | -170.8 | 165.1 | 0 | 0 | 0 | 111.6 | F14 L28 W39 F43 W45 I46 A47 L190 V215 V217 | I12-F14 HydrophobicContact CD1-CE1 3.65Å; I12-F14 HydrophobicContact CD1-CZ 3.64Å; I12-F14 HydrophobicContact CG1-CE1 3.79Å; I12-F14 HydrophobicContact CG1-CZ 3.87Å; I12-L28 HydrophobicContact CD1-CD2 4.28Å; I12-W39 HydrophobicContact CD1-CZ3 3.93Å; I12-F43 HydrophobicContact CB-CD1 3.56Å; I12-F43 HydrophobicContact CB-CD2 4.45Å; I12-F43 HydrophobicContact CB-CE1 3.69Å; I12-F43 HydrophobicContact CB-CG 3.97Å; I12-F43 HydrophobicContact CB-CZ 4.19Å; I12-F43 HydrophobicContact CD1-CD2 4.42Å; I12-F43 HydrophobicContact CD1-CE1 4.39Å; I12-F43 HydrophobicContact CD1-CE2 4.05Å; I12-F43 HydrophobicContact CD1-CZ 4.02Å; I12-F43 HydrophobicContact CG1-CE1 4.46Å; I12-F43 HydrophobicContact CG2-CB 3.93Å; I12-F43 HydrophobicContact CG2-CD1 3.79Å; I12-F43 HydrophobicContact CG2-CD2 4.24Å; I12-F43 HydrophobicContact CG2-CE1 4.37Å; I12-F43 HydrophobicContact CG2-CG 3.7Å; I12-W45 PolarHBondContact N-O 3.39Å; I12-I46 HydrophobicContact CG2-CB 4.01Å; I12-I46 HydrophobicContact CG2-CD1 4.14Å; I12-I46 HydrophobicContact CG2-CG1 3.98Å; I12-I46 CarbonylContact O-C 3.58Å; I12-I46 VanDerWaalsContact O-CA 3.24Å; I12-I46 WeakPolarHBondContact O-CA 3.47Å; I12-A47 PolarHBondContact O-N 3.01Å; I12-L190 VanDerWaalsContact O-CD2 3.3Å; I12-L190 WeakPolarHBondContact O-CD2 3.33Å; I12-V215 CarbonylContact C-O 3.59Å; I12-V215 VanDerWaalsContact CA-O 3.28Å; I12-V215 WeakPolarHBondContact CA-O 3.42Å; I12-V215 HydrophobicContact CB-CB 4.47Å; I12-V215 HydrophobicContact CD1-CB 4.48Å; I12-V215 HydrophobicContact CD1-CG1 4.31Å; I12-V215 HydrophobicContact CG1-CB 4.15Å; I12-V215 HydrophobicContact CG1-CG1 4.29Å; I12-V217 HydrophobicContact CD1-CG2 4.44Å; I12-V217 HydrophobicContact CG1-CG2 4.49Å |
| 13 | A | 98.5 | Very high | 85.8 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 137.8 | -179 | 0 | 0 | 0 | 0 | 0 | 111.3 | A47 P186 T187 L190 V215 V217 | A13-A47 CarbonylContact C-O 3.41Å; A13-A47 WeakPolarHBondContact CA-O 3.26Å; A13-A47 HydrophobicContact CB-CB 4.43Å; A13-P186 HydrophobicContact CB-CG 4.23Å; A13-T187 HydrophobicContact CB-CG2 4.41Å; A13-T187 WeakPolarHBondContact CB-OG1 3.26Å; A13-L190 HydrophobicContact CB-CD2 4.22Å; A13-V215 PolarHBondContact N-O 3.24Å; A13-V217 PolarHBondContact O-N 2.91Å |
| 14 | F | 98.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 118.9 | 179.9 | -57.6 | -51.8 | 0 | 0 | 0 | 111.4 | I12 L24 L28 I46 A47 G48 T49 L55 A56 L59 P186 V217 | I12-F14 HydrophobicContact CD1-CE1 3.65Å; I12-F14 HydrophobicContact CD1-CZ 3.64Å; I12-F14 HydrophobicContact CG1-CE1 3.79Å; I12-F14 HydrophobicContact CG1-CZ 3.87Å; F14-L24 HydrophobicContact CB-CD1 4.36Å; F14-L28 HydrophobicContact CE1-CD1 3.94Å; F14-L28 HydrophobicContact CE1-CD2 3.87Å; F14-L28 HydrophobicContact CE1-CG 4.27Å; F14-L28 HydrophobicContact CZ-CD1 3.89Å; F14-L28 HydrophobicContact CZ-CD2 4.2Å; F14-I46 HydrophobicContact CD2-CD1 4.19Å; F14-I46 HydrophobicContact CD2-CG1 4.4Å; F14-I46 HydrophobicContact CE2-CD1 3.47Å; F14-I46 VanDerWaalsContact CE2-CD1 3.47Å; F14-I46 HydrophobicContact CE2-CG1 4.05Å; F14-I46 HydrophobicContact CZ-CD1 4.31Å; F14-A47 PolarHBondContact N-O 2.99Å; F14-G48 WeakPolarHBondContact O-CA 3.21Å; F14-T49 PolarHBondContact O-N 3.24Å; F14-T49 VanDerWaalsContact O-N 3.13Å; F14-L55 HydrophobicContact CB-CD2 4.47Å; F14-L55 HydrophobicContact CD1-CD2 3.99Å; F14-L55 HydrophobicContact CD2-CD2 4.08Å; F14-L55 HydrophobicContact CD2-CG 4.12Å; F14-L55 HydrophobicContact CE1-CD2 4.27Å; F14-L55 HydrophobicContact CE2-CD2 4.3Å; F14-L55 HydrophobicContact CE2-CG 4.17Å; F14-L55 HydrophobicContact CG-CD2 3.92Å; F14-L55 HydrophobicContact CG-CG 4.46Å; F14-L55 HydrophobicContact CZ-CD2 4.42Å; F14-A56 HydrophobicContact CD2-CB 4.04Å; F14-A56 HydrophobicContact CE2-CB 4.4Å; F14-L59 HydrophobicContact CE2-CD1 3.66Å; F14-L59 HydrophobicContact CZ-CD1 3.76Å; F14-P186 WeakPolarHBondContact O-CG 3.38Å; F14-V217 HydrophobicContact CD1-CB 3.93Å; F14-V217 HydrophobicContact CD1-CG2 4.15Å; F14-V217 HydrophobicContact CE1-CB 4.25Å; F14-V217 HydrophobicContact CE1-CG2 3.99Å |
| 15 | D | 96.6 | Very high | 91 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -64.9 | 158.6 | 177.7 | -67.3 | 4.8 | 0 | 0 | 0 | 112.4 | L24 N184 N185 V217 G218 T246 R267 | D15-L24 WeakPolarHBondContact O-CD1 3.42Å; D15-N184 CarbonylContact C-O 3.42Å; D15-N184 VanDerWaalsContact CA-O 3.3Å; D15-N184 WeakPolarHBondContact CA-O 3.4Å; D15-N185 WeakPolarHBondContact OD1-CA 3.28Å; D15-N185 WeakPolarHBondContact OD1-CB 3.41Å; D15-V217 PolarHBondContact N-O 2.76Å; D15-G218 VanDerWaalsContact OD2-CA 3.25Å; D15-G218 WeakPolarHBondContact OD2-CA 3.45Å; D15-T246 HydrophobicContact CB-CG2 4.08Å; D15-T246 VanDerWaalsContact OD2-CB 3.3Å; D15-T246 WeakPolarHBondContact OD2-CB 3.4Å; D15-R267 VanDerWaalsContact CG-NH1 3.26Å; D15-R267 IonicContact OD1-NH1 3.73Å; D15-R267 PolarHBondContact OD1-NH1 3.25Å; D15-R267 VanDerWaalsContact OD1-NH1 3.1Å; D15-R267 IonicContact OD2-CZ 2.72Å; D15-R267 IonicContact OD2-NH1 2.79Å; D15-R267 PolarHBondContact OD2-NH1 3.04Å; D15-R267 IonicContact OD2-NH2 3.49Å; D15-R267 PolarHBondContact OD2-NH2 3.46Å | ||
| 16 | G | 94.4 | Very high | 93 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 7% | 0.074 | C | C | . | . | trans | -72.4 | 167.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | T49 N184 T219 | G16-T49 VanDerWaalsContact CA-O 3.23Å; G16-T49 WeakPolarHBondContact CA-O 3.4Å; G16-T49 PolarHBondContact N-O 2.84Å; G16-N184 WeakPolarHBondContact CA-OD1 3.36Å; G16-N184 PolarHBondContact N-O 3.42Å; G16-T219 WeakPolarHBondContact O-CG2 3.42Å; G16-T219 PolarHBondContact O-OG1 3.3Å | ||
| 17 | G | 88.5 | Confident | 94.7 | Very high | 7 Ų | 7 | 9.1 Ų | 9.1 | 7% | 0.072 | 5% | 0.049 | C | C | . | . | trans | 154.8 | 16.2 | 177 | 0 | 0 | 0 | 0 | 0 | 116.4 | M19 A20 | G17-M19 PolarHBondContact O-N 3.33Å; G17-A20 VanDerWaalsContact O-CB 3.24Å; G17-A20 WeakPolarHBondContact O-CB 3.49Å; G17-A20 PolarHBondContact O-N 2.98Å | ||
| 18 | G | 90.2 | Very high | 95.5 | Very high | 12 Ų | 12 | 5.4 Ų | 5.4 | 12% | 0.124 | 3% | 0.032 | C | C | . | . | G | 310 helix | trans | 55.3 | -123.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | A20 G21 | G18-A20 PolarHBondContact O-N 3.05Å; G18-G21 PolarHBondContact O-N 3.01Å |
| 19 | M | 92.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 3.8 Ų | 3.8 | 1% | 0.005 | 3% | 0.025 | C | C | . | . | G | 310 helix | trans | -64.5 | -20.9 | -179.7 | -70.1 | -56.5 | -56.3 | 0 | 0 | 114.4 | G17 G21 V22 V72 L75 K76 F80 L278 T280 L286 | G17-M19 PolarHBondContact O-N 3.33Å; M19-G21 PolarHBondContact O-N 3.47Å; M19-G21 VanDerWaalsContact O-N 3.08Å; M19-V22 PolarHBondContact O-N 3.24Å; M19-V72 HydrophobicContact CE-CG1 4.04Å; M19-V72 VanDerWaalsContact CE-O 3.29Å; M19-V72 WeakPolarHBondContact CE-O 3.46Å; M19-L75 HydrophobicContact SD-CB 4.33Å; M19-K76 HydrophobicContact CE-CB 3.69Å; M19-K76 HydrophobicContact SD-CB 4.11Å; M19-F80 HydrophobicContact CG-CD2 3.76Å; M19-F80 HydrophobicContact CG-CE2 3.43Å; M19-F80 VanDerWaalsContact CG-CE2 3.43Å; M19-F80 HydrophobicContact CG-CZ 4.42Å; M19-F80 HydrophobicContact SD-CD2 3.88Å; M19-F80 HydrophobicContact SD-CE2 3.51Å; M19-F80 VanDerWaalsContact SD-CE2 3.51Å; M19-L278 WeakPolarHBondContact CB-O 3.4Å; M19-L278 WeakPolarHBondContact CG-O 3.24Å; M19-L278 PolarHBondContact N-O 3.15Å; M19-T280 HydrophobicContact CB-CG2 3.82Å; M19-T280 HydrophobicContact CG-CG2 4.46Å; M19-T280 WeakPolarHBondContact CG-O 3.37Å; M19-L286 HydrophobicContact CB-CD2 4.15Å; M19-L286 HydrophobicContact CE-CD1 3.56Å; M19-L286 HydrophobicContact CE-CD2 4.13Å |
| 20 | A | 92.9 | Very high | 96.1 | Very high | 8 Ų | 8 | 4.4 Ų | 4.4 | 7% | 0.066 | 3% | 0.028 | C | C | . | . | G | 310 helix | trans | -66 | -6.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | G17 G18 V22 V23 T219 L276 | G17-A20 VanDerWaalsContact O-CB 3.24Å; G17-A20 WeakPolarHBondContact O-CB 3.49Å; G17-A20 PolarHBondContact O-N 2.98Å; G18-A20 PolarHBondContact O-N 3.05Å; A20-V22 PolarHBondContact O-N 3.45Å; A20-V23 VanDerWaalsContact O-CB 3.28Å; A20-V23 WeakPolarHBondContact O-CB 3.34Å; A20-V23 PolarHBondContact O-N 3.16Å; A20-T219 HydrophobicContact CB-CG2 4.26Å; A20-L276 HydrophobicContact CB-CD2 3.74Å |
| 21 | G | 94.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 3.8 Ų | 3.8 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -50.6 | -23 | 166 | 0 | 0 | 0 | 0 | 0 | 115 | G18 M19 V23 L24 V25 | G18-G21 PolarHBondContact O-N 3.01Å; M19-G21 PolarHBondContact O-N 3.47Å; M19-G21 VanDerWaalsContact O-N 3.08Å; G21-V23 PolarHBondContact O-N 3.36Å; G21-L24 WeakPolarHBondContact O-CB 3.47Å; G21-L24 PolarHBondContact O-N 3.19Å; G21-L24 VanDerWaalsContact O-N 3.12Å; G21-V25 PolarHBondContact O-N 3.47Å; G21-V25 VanDerWaalsContact O-N 3.14Å |
| 22 | V | 96 | Very high | 96.1 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -58.8 | -33 | 172.7 | 80 | 0 | 0 | 0 | 0 | 112.3 | M19 A20 V25 Q26 V72 F73 L286 A289 C290 | M19-V22 PolarHBondContact O-N 3.24Å; A20-V22 PolarHBondContact O-N 3.45Å; V22-V25 PolarHBondContact O-N 3.42Å; V22-Q26 VanDerWaalsContact O-CB 3.24Å; V22-Q26 WeakPolarHBondContact O-CB 3.47Å; V22-Q26 PolarHBondContact O-N 3.25Å; V22-V72 HydrophobicContact CB-CG1 4.22Å; V22-F73 HydrophobicContact CG2-CD2 4.46Å; V22-F73 HydrophobicContact CG2-CE2 3.62Å; V22-F73 HydrophobicContact CG2-CZ 4.11Å; V22-L286 HydrophobicContact CG1-CB 4.46Å; V22-L286 HydrophobicContact CG1-CD2 4.11Å; V22-A289 HydrophobicContact CG1-CB 4.35Å; V22-C290 WeakPolarHBondContact CG2-SG 3.46Å |
| 23 | V | 97 | Very high | 96 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -67.7 | -39.8 | 176.4 | 175.3 | 0 | 0 | 0 | 0 | 111.2 | A20 G21 Q26 T27 P270 L272 A289 | A20-V23 VanDerWaalsContact O-CB 3.28Å; A20-V23 WeakPolarHBondContact O-CB 3.34Å; A20-V23 PolarHBondContact O-N 3.16Å; G21-V23 PolarHBondContact O-N 3.36Å; V23-Q26 PolarHBondContact O-N 2.89Å; V23-T27 VanDerWaalsContact O-CB 3.32Å; V23-T27 WeakPolarHBondContact O-CB 3.45Å; V23-T27 PolarHBondContact O-N 2.97Å; V23-T27 PolarHBondContact O-OG1 3.03Å; V23-P270 HydrophobicContact CG1-CG 3.43Å; V23-P270 VanDerWaalsContact CG1-CG 3.43Å; V23-L272 HydrophobicContact CG2-CD2 4.13Å; V23-A289 HydrophobicContact CG2-CB 3.99Å |
| 24 | L | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.6 | -52.2 | 175.2 | -56.5 | 176.1 | 0 | 0 | 0 | 110.1 | F14 D15 G21 Q26 T27 L28 F51 L55 V217 G218 T219 | F14-L24 HydrophobicContact CB-CD1 4.36Å; D15-L24 WeakPolarHBondContact O-CD1 3.42Å; G21-L24 WeakPolarHBondContact O-CB 3.47Å; G21-L24 PolarHBondContact O-N 3.19Å; G21-L24 VanDerWaalsContact O-N 3.12Å; L24-Q26 VanDerWaalsContact C-N 3.33Å; L24-Q26 PolarHBondContact O-N 2.76Å; L24-T27 WeakPolarHBondContact O-CB 3.49Å; L24-T27 PolarHBondContact O-N 3.31Å; L24-L28 WeakPolarHBondContact O-CG 3.48Å; L24-L28 PolarHBondContact O-N 3.25Å; L24-F51 HydrophobicContact CD1-CD1 4.25Å; L24-L55 HydrophobicContact CB-CD2 3.6Å; L24-L55 HydrophobicContact CD1-CD2 4.01Å; L24-L55 HydrophobicContact CG-CD2 4.44Å; L24-V217 HydrophobicContact CD2-CB 4.23Å; L24-V217 HydrophobicContact CD2-CG1 3.8Å; L24-V217 VanDerWaalsContact CD2-O 3.22Å; L24-V217 WeakPolarHBondContact CD2-O 3.48Å; L24-G218 VanDerWaalsContact CD2-C 3.46Å; L24-G218 WeakPolarHBondContact CD2-O 3.38Å; L24-T219 HydrophobicContact CD1-CG2 3.84Å; L24-T219 HydrophobicContact CD2-CG2 3.88Å; L24-T219 HydrophobicContact CG-CG2 3.72Å |
| 25 | V | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.1 | -41.6 | -178.9 | -176.5 | 0 | 0 | 0 | 0 | 111 | G21 V22 T27 L28 L29 F51 L55 L65 I68 Q69 V72 | G21-V25 PolarHBondContact O-N 3.47Å; G21-V25 VanDerWaalsContact O-N 3.14Å; V22-V25 PolarHBondContact O-N 3.42Å; V25-T27 VanDerWaalsContact C-N 3.33Å; V25-T27 PolarHBondContact O-N 2.64Å; V25-L28 PolarHBondContact O-N 2.99Å; V25-L29 HydrophobicContact CG1-CD1 4.42Å; V25-L29 WeakPolarHBondContact O-CG 3.44Å; V25-L29 PolarHBondContact O-N 2.97Å; V25-F51 HydrophobicContact CG2-CE1 4.33Å; V25-L55 HydrophobicContact CG2-CD1 4.26Å; V25-L65 HydrophobicContact CG1-CB 4.49Å; V25-L65 VanDerWaalsContact CG1-O 3.28Å; V25-L65 WeakPolarHBondContact CG1-O 3.28Å; V25-I68 HydrophobicContact CG2-CG2 3.84Å; V25-Q69 HydrophobicContact CG1-CB 3.78Å; V25-Q69 HydrophobicContact CG1-CG 4.42Å; V25-V72 HydrophobicContact CG2-CG2 4.17Å |
| 26 | Q | 98.2 | Very high | 95.5 | Very high | 18 Ų | 18 | 21.2 Ų | 21.2 | 8% | 0.084 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66.4 | -35.2 | 178.2 | -171.9 | 54.6 | 62.1 | 0 | 0 | 112.4 | V22 V23 L24 I30 C290 T293 I294 | V22-Q26 VanDerWaalsContact O-CB 3.24Å; V22-Q26 WeakPolarHBondContact O-CB 3.47Å; V22-Q26 PolarHBondContact O-N 3.25Å; V23-Q26 PolarHBondContact O-N 2.89Å; L24-Q26 VanDerWaalsContact C-N 3.33Å; L24-Q26 PolarHBondContact O-N 2.76Å; Q26-I30 WeakPolarHBondContact O-CD1 3.21Å; Q26-I30 WeakPolarHBondContact O-CG1 3.35Å; Q26-I30 PolarHBondContact O-N 3.3Å; Q26-C290 HydrophobicContact CG-CB 4.17Å; Q26-T293 HydrophobicContact CB-CG2 4.08Å; Q26-T293 HydrophobicContact CG-CG2 3.9Å; Q26-I294 HydrophobicContact CG-CG1 4.31Å |
| 27 | T | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.3 | -46.9 | 171.8 | -65.1 | 0 | 0 | 0 | 0 | 111.1 | V23 L24 V25 L29 I30 I31 V217 F268 T293 F297 | V23-T27 VanDerWaalsContact O-CB 3.32Å; V23-T27 WeakPolarHBondContact O-CB 3.45Å; V23-T27 PolarHBondContact O-N 2.97Å; V23-T27 PolarHBondContact O-OG1 3.03Å; L24-T27 WeakPolarHBondContact O-CB 3.49Å; L24-T27 PolarHBondContact O-N 3.31Å; V25-T27 VanDerWaalsContact C-N 3.33Å; V25-T27 PolarHBondContact O-N 2.64Å; T27-L29 VanDerWaalsContact C-N 3.34Å; T27-L29 PolarHBondContact O-N 3.24Å; T27-I30 WeakPolarHBondContact O-CB 3.02Å; T27-I30 PolarHBondContact O-N 3.48Å; T27-I31 HydrophobicContact CG2-CD1 4Å; T27-I31 PolarHBondContact O-N 3.3Å; T27-V217 HydrophobicContact CG2-CG1 3.55Å; T27-F268 HydrophobicContact CG2-CB 3.98Å; T27-T293 WeakPolarHBondContact OG1-CG2 3.2Å; T27-F297 HydrophobicContact CG2-CE2 3.65Å; T27-F297 HydrophobicContact CG2-CZ 3.46Å; T27-F297 VanDerWaalsContact CG2-CZ 3.46Å |
| 28 | L | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.4 | -36.7 | 178.9 | -67.4 | -176.8 | 0 | 0 | 0 | 112.8 | I12 F14 L24 V25 I30 I31 E32 W39 L55 L59 L65 | I12-L28 HydrophobicContact CD1-CD2 4.28Å; F14-L28 HydrophobicContact CE1-CD1 3.94Å; F14-L28 HydrophobicContact CE1-CD2 3.87Å; F14-L28 HydrophobicContact CE1-CG 4.27Å; F14-L28 HydrophobicContact CZ-CD1 3.89Å; F14-L28 HydrophobicContact CZ-CD2 4.2Å; L24-L28 WeakPolarHBondContact O-CG 3.48Å; L24-L28 PolarHBondContact O-N 3.25Å; V25-L28 PolarHBondContact O-N 2.99Å; L28-I30 PolarHBondContact O-N 2.87Å; L28-I31 HydrophobicContact CD2-CD1 4.01Å; L28-I31 PolarHBondContact O-N 3.36Å; L28-E32 WeakPolarHBondContact O-CB 3.29Å; L28-E32 PolarHBondContact O-N 2.82Å; L28-W39 HydrophobicContact CB-CH2 4.47Å; L28-W39 HydrophobicContact CB-CZ2 4.25Å; L28-W39 HydrophobicContact CD1-CH2 3.94Å; L28-W39 HydrophobicContact CD1-CZ2 4.22Å; L28-W39 HydrophobicContact CD2-CH2 3.48Å; L28-W39 VanDerWaalsContact CD2-CH2 3.48Å; L28-W39 HydrophobicContact CD2-CZ2 4.08Å; L28-W39 HydrophobicContact CD2-CZ3 3.92Å; L28-W39 HydrophobicContact CG-CH2 4.16Å; L28-W39 HydrophobicContact CG-CZ2 4.42Å; L28-L55 HydrophobicContact CD1-CD1 3.99Å; L28-L55 HydrophobicContact CD1-CD2 3.9Å; L28-L55 HydrophobicContact CD1-CG 4.27Å; L28-L59 HydrophobicContact CD1-CD1 3.76Å; L28-L65 HydrophobicContact CB-CD1 3.88Å; L28-L65 HydrophobicContact CB-CD2 3.58Å; L28-L65 HydrophobicContact CB-CG 4.4Å; L28-L65 HydrophobicContact CD1-CD2 3.75Å; L28-L65 HydrophobicContact CG-CD2 4.35Å |
| 29 | L | 98 | Very high | 95.8 | Very high | 15 Ų | 15 | 29.8 Ų | 29.8 | 8% | 0.079 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60 | -32.4 | 173.1 | -76.8 | 167.6 | 0 | 0 | 0 | 112.1 | V25 T27 K33 L65 R66 | V25-L29 HydrophobicContact CG1-CD1 4.42Å; V25-L29 WeakPolarHBondContact O-CG 3.44Å; V25-L29 PolarHBondContact O-N 2.97Å; T27-L29 VanDerWaalsContact C-N 3.34Å; T27-L29 PolarHBondContact O-N 3.24Å; L29-K33 PolarHBondContact O-N 2.9Å; L29-L65 HydrophobicContact CD2-CB 3.6Å; L29-L65 HydrophobicContact CD2-CD1 4.07Å; L29-L65 HydrophobicContact CG-CB 4.01Å; L29-L65 HydrophobicContact CG-CD1 4.25Å; L29-R66 HydrophobicContact CD2-CG 4.26Å |
| 30 | I | 97.5 | Very high | 95.9 | Very high | 18 Ų | 18 | 31.3 Ų | 31.3 | 9% | 0.092 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -76.4 | -43.7 | 175.8 | -64.9 | 163.3 | 0 | 0 | 0 | 110 | Q26 T27 L28 E32 K33 Y34 T293 I294 F297 M304 | Q26-I30 WeakPolarHBondContact O-CD1 3.21Å; Q26-I30 WeakPolarHBondContact O-CG1 3.35Å; Q26-I30 PolarHBondContact O-N 3.3Å; T27-I30 WeakPolarHBondContact O-CB 3.02Å; T27-I30 PolarHBondContact O-N 3.48Å; L28-I30 PolarHBondContact O-N 2.87Å; I30-E32 VanDerWaalsContact C-N 3.33Å; I30-E32 PolarHBondContact O-N 3.11Å; I30-K33 WeakPolarHBondContact O-CB 3.43Å; I30-K33 PolarHBondContact O-N 3.09Å; I30-K33 VanDerWaalsContact O-N 3.11Å; I30-Y34 HydrophobicContact CG2-CD2 3.97Å; I30-Y34 HydrophobicContact CG2-CE2 3.93Å; I30-Y34 WeakPolarHBondContact O-CD2 3.38Å; I30-Y34 PolarHBondContact O-N 2.95Å; I30-T293 HydrophobicContact CD1-CG2 4.22Å; I30-I294 HydrophobicContact CD1-CG1 4.24Å; I30-F297 HydrophobicContact CB-CD2 4.36Å; I30-F297 HydrophobicContact CD1-CB 4.08Å; I30-F297 HydrophobicContact CD1-CD2 3.43Å; I30-F297 VanDerWaalsContact CD1-CD2 3.43Å; I30-F297 HydrophobicContact CD1-CE2 4.19Å; I30-F297 HydrophobicContact CD1-CG 4.03Å; I30-F297 HydrophobicContact CG1-CD2 4.49Å; I30-F297 HydrophobicContact CG2-CB 3.89Å; I30-F297 HydrophobicContact CG2-CD1 4.22Å; I30-F297 HydrophobicContact CG2-CD2 4.16Å; I30-F297 HydrophobicContact CG2-CG 3.83Å; I30-M304 HydrophobicContact CG2-SD 4.3Å |
| 31 | I | 97 | Very high | 96 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.6 | -47.6 | 174.7 | -70.3 | 169.6 | 0 | 0 | 0 | 110.7 | T27 L28 K33 Y34 C35 W39 F268 M304 L307 | T27-I31 HydrophobicContact CG2-CD1 4Å; T27-I31 PolarHBondContact O-N 3.3Å; L28-I31 HydrophobicContact CD2-CD1 4.01Å; L28-I31 PolarHBondContact O-N 3.36Å; I31-K33 VanDerWaalsContact C-N 3.27Å; I31-K33 PolarHBondContact O-N 3.15Å; I31-Y34 PolarHBondContact O-N 3.48Å; I31-Y34 VanDerWaalsContact O-N 3.09Å; I31-C35 HydrophobicContact CG2-CB 4.46Å; I31-C35 VanDerWaalsContact O-CB 3.29Å; I31-C35 WeakPolarHBondContact O-CB 3.19Å; I31-C35 PolarHBondContact O-N 3.45Å; I31-C35 PolarHBondContact O-SG 3.49Å; I31-C35 VanDerWaalsContact O-SG 3.35Å; I31-W39 HydrophobicContact CG2-CB 4.46Å; I31-W39 HydrophobicContact CG2-CD2 4.11Å; I31-W39 HydrophobicContact CG2-CE3 4.02Å; I31-W39 HydrophobicContact CG2-CG 4.3Å; I31-F268 HydrophobicContact CD1-CD2 4.21Å; I31-F268 HydrophobicContact CD1-CE2 4.34Å; I31-M304 HydrophobicContact CG1-CE 4.48Å; I31-M304 HydrophobicContact CG1-SD 4.24Å; I31-L307 HydrophobicContact CD1-CD2 4.35Å; I31-L307 HydrophobicContact CG1-CD2 4.25Å; I31-L307 HydrophobicContact CG2-CD2 4.34Å |
| 32 | E | 97.1 | Very high | 95.9 | Very high | 66 Ų | 66 | 42.4 Ų | 42.4 | 31% | 0.308 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -56 | -41.1 | 176 | -178.2 | 176.1 | 70.3 | 0 | 0 | 111.7 | L28 I30 Y34 G36 L65 | L28-E32 WeakPolarHBondContact O-CB 3.29Å; L28-E32 PolarHBondContact O-N 2.82Å; I30-E32 VanDerWaalsContact C-N 3.33Å; I30-E32 PolarHBondContact O-N 3.11Å; E32-Y34 VanDerWaalsContact C-N 3.35Å; E32-Y34 PolarHBondContact O-N 3.2Å; E32-G36 CarbonylContact O-C 3.54Å; E32-G36 VanDerWaalsContact O-CA 3.26Å; E32-G36 WeakPolarHBondContact O-CA 3.4Å; E32-G36 PolarHBondContact O-N 3.27Å; E32-L65 HydrophobicContact CB-CD1 4.1Å |
| 33 | K | 96.1 | Very high | 95.9 | Very high | 180 Ų | 180 | 42.7 Ų | 42.7 | 78% | 0.783 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -63.1 | -37.1 | 177.3 | -175.3 | -177.3 | 175.7 | -175.2 | 0 | 113.1 | L29 I30 I31 | L29-K33 PolarHBondContact O-N 2.9Å; I30-K33 WeakPolarHBondContact O-CB 3.43Å; I30-K33 PolarHBondContact O-N 3.09Å; I30-K33 VanDerWaalsContact O-N 3.11Å; I31-K33 VanDerWaalsContact C-N 3.27Å; I31-K33 PolarHBondContact O-N 3.15Å |
| 34 | Y | 95 | Very high | 95.9 | Very high | 78 Ų | 78 | 45.4 Ų | 45.4 | 31% | 0.306 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -86 | -36 | -179.4 | -82.7 | -89.3 | 0 | 0 | 0 | 113.4 | I30 I31 E32 M304 R312 | I30-Y34 HydrophobicContact CG2-CD2 3.97Å; I30-Y34 HydrophobicContact CG2-CE2 3.93Å; I30-Y34 WeakPolarHBondContact O-CD2 3.38Å; I30-Y34 PolarHBondContact O-N 2.95Å; I31-Y34 PolarHBondContact O-N 3.48Å; I31-Y34 VanDerWaalsContact O-N 3.09Å; E32-Y34 VanDerWaalsContact C-N 3.35Å; E32-Y34 PolarHBondContact O-N 3.2Å; Y34-M304 HydrophobicContact CD1-CB 3.77Å; Y34-M304 HydrophobicContact CD2-CB 3.89Å; Y34-M304 HydrophobicContact CD2-CG 4.07Å; Y34-M304 HydrophobicContact CD2-SD 4.38Å; Y34-M304 HydrophobicContact CE1-CB 3.92Å; Y34-M304 HydrophobicContact CE2-CB 4.02Å; Y34-M304 HydrophobicContact CE2-CG 4.04Å; Y34-M304 HydrophobicContact CG-CB 3.76Å; Y34-M304 HydrophobicContact CG-CG 4.43Å; Y34-R312 PolarHBondContact O-NH1 2.95Å |
| 35 | C | 93.9 | Very high | 95.9 | Very high | 17 Ų | 17 | 45.4 Ų | 45.4 | 12% | 0.115 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -95.8 | -23.8 | -172 | -57.4 | 0 | 0 | 0 | 0 | 112.8 | I31 W39 | I31-C35 HydrophobicContact CG2-CB 4.46Å; I31-C35 VanDerWaalsContact O-CB 3.29Å; I31-C35 WeakPolarHBondContact O-CB 3.19Å; I31-C35 PolarHBondContact O-N 3.45Å; I31-C35 PolarHBondContact O-SG 3.49Å; I31-C35 VanDerWaalsContact O-SG 3.35Å; C35-W39 HydrophobicContact CB-CB 3.7Å |
| 36 | G | 93.9 | Very high | 95.9 | Very high | 24 Ų | 24 | 45.4 Ų | 45.4 | 25% | 0.247 | 22% | 0.224 | C | C | . | . | trans | 100.9 | 170.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E32 D38 W39 | E32-G36 CarbonylContact O-C 3.54Å; E32-G36 VanDerWaalsContact O-CA 3.26Å; E32-G36 WeakPolarHBondContact O-CA 3.4Å; E32-G36 PolarHBondContact O-N 3.27Å; G36-D38 VanDerWaalsContact C-N 3.26Å; G36-D38 PolarHBondContact O-N 3.19Å; G36-W39 WeakPolarHBondContact O-CB 3.49Å; G36-W39 VanDerWaalsContact O-CD1 3.29Å; G36-W39 PolarHBondContact O-N 3.21Å | ||
| 37 | P | 92.9 | Very high | 95.9 | Very high | 105 Ų | 105 | 44.6 Ų | 44.6 | 68% | 0.682 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -25.4 | -174.8 | 27.4 | -35.7 | 0 | 0 | 0 | 113.9 | W39 | P37-W39 VanDerWaalsContact C-N 3.29Å; P37-W39 PolarHBondContact O-N 2.78Å |
| 38 | D | 91.7 | Very high | 95.9 | Very high | 87 Ų | 87 | 44.6 Ų | 44.6 | 47% | 0.465 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 8.6 | -180 | -68.6 | -68.7 | 0 | 0 | 0 | 113.7 | G36 F40 R41 | G36-D38 VanDerWaalsContact C-N 3.26Å; G36-D38 PolarHBondContact O-N 3.19Å; D38-F40 PolarHBondContact O-N 3.12Å; D38-R41 WeakPolarHBondContact O-CB 3.39Å; D38-R41 PolarHBondContact O-N 2.96Å; D38-R41 IonicContact OD1-CZ 3.67Å; D38-R41 IonicContact OD1-NE 2.76Å; D38-R41 IonicContact OD1-NH1 3.45Å; D38-R41 PolarHBondContact OD1-NH1 2.79Å |
| 39 | W | 94.8 | Very high | 95.9 | Very high | 7 Ų | 7 | 44.6 Ų | 44.6 | 3% | 0.027 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -50.2 | -35.8 | -175.6 | 70.5 | -86.8 | 0 | 0 | 0 | 113.6 | I12 L28 I31 C35 G36 P37 R41 C42 F43 L59 L65 | I12-W39 HydrophobicContact CD1-CZ3 3.93Å; L28-W39 HydrophobicContact CB-CH2 4.47Å; L28-W39 HydrophobicContact CB-CZ2 4.25Å; L28-W39 HydrophobicContact CD1-CH2 3.94Å; L28-W39 HydrophobicContact CD1-CZ2 4.22Å; L28-W39 HydrophobicContact CD2-CH2 3.48Å; L28-W39 VanDerWaalsContact CD2-CH2 3.48Å; L28-W39 HydrophobicContact CD2-CZ2 4.08Å; L28-W39 HydrophobicContact CD2-CZ3 3.92Å; L28-W39 HydrophobicContact CG-CH2 4.16Å; L28-W39 HydrophobicContact CG-CZ2 4.42Å; I31-W39 HydrophobicContact CG2-CB 4.46Å; I31-W39 HydrophobicContact CG2-CD2 4.11Å; I31-W39 HydrophobicContact CG2-CE3 4.02Å; I31-W39 HydrophobicContact CG2-CG 4.3Å; C35-W39 HydrophobicContact CB-CB 3.7Å; G36-W39 WeakPolarHBondContact O-CB 3.49Å; G36-W39 VanDerWaalsContact O-CD1 3.29Å; G36-W39 PolarHBondContact O-N 3.21Å; P37-W39 VanDerWaalsContact C-N 3.29Å; P37-W39 PolarHBondContact O-N 2.78Å; W39-R41 VanDerWaalsContact C-N 3.33Å; W39-R41 PolarHBondContact O-N 3.49Å; W39-C42 WeakPolarHBondContact O-CB 3.33Å; W39-C42 PolarHBondContact O-N 3.23Å; W39-F43 HydrophobicContact CE3-CD2 4.12Å; W39-F43 AromaticContact CE3-CE2 3.77Å; W39-F43 HydrophobicContact CE3-CE2 3.77Å; W39-F43 HydrophobicContact CZ3-CD2 4.13Å; W39-F43 AromaticContact CZ3-CE2 3.93Å; W39-F43 HydrophobicContact CZ3-CE2 3.93Å; W39-L59 HydrophobicContact CH2-CD1 4.23Å; W39-L59 HydrophobicContact CZ2-CD2 4.24Å; W39-L65 HydrophobicContact CZ2-CD1 4.33Å; W39-L65 HydrophobicContact CZ2-CD2 4.44Å |
| 40 | F | 95.3 | Very high | 95.8 | Very high | 33 Ų | 33 | 44 Ų | 44 | 15% | 0.145 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -68.4 | -32.6 | -176.8 | -175.3 | -114 | 0 | 0 | 0 | 112.4 | D38 C42 F43 I46 L59 P111 | D38-F40 PolarHBondContact O-N 3.12Å; F40-C42 PolarHBondContact O-N 3.41Å; F40-F43 PolarHBondContact O-N 3.26Å; F40-I46 HydrophobicContact CE2-CD1 3.57Å; F40-I46 HydrophobicContact CZ-CD1 3.89Å; F40-L59 HydrophobicContact CD1-CB 4.45Å; F40-L59 HydrophobicContact CD2-CB 4.23Å; F40-L59 HydrophobicContact CD2-CD1 4.33Å; F40-L59 HydrophobicContact CE1-CB 4.01Å; F40-L59 WeakPolarHBondContact CE1-O 3.38Å; F40-L59 HydrophobicContact CE2-CB 3.76Å; F40-L59 HydrophobicContact CE2-CD1 4.11Å; F40-L59 HydrophobicContact CZ-CB 3.64Å; F40-P111 HydrophobicContact CE1-CG 4.41Å; F40-P111 HydrophobicContact CZ-CG 3.97Å |
| 41 | R | 93.7 | Very high | 95.7 | Very high | 203 Ų | 203 | 43.6 Ų | 43.6 | 77% | 0.766 | 22% | 0.215 | S | C | * | . | G | 310 helix | trans | -67.5 | -14 | 177.3 | -65.9 | 178.9 | 169.2 | 168.7 | -11.8 | 113.1 | D38 W39 F43 | D38-R41 WeakPolarHBondContact O-CB 3.39Å; D38-R41 PolarHBondContact O-N 2.96Å; D38-R41 IonicContact OD1-CZ 3.67Å; D38-R41 IonicContact OD1-NE 2.76Å; D38-R41 IonicContact OD1-NH1 3.45Å; D38-R41 PolarHBondContact OD1-NH1 2.79Å; W39-R41 VanDerWaalsContact C-N 3.33Å; W39-R41 PolarHBondContact O-N 3.49Å; R41-F43 VanDerWaalsContact C-N 3.25Å |
| 42 | C | 93.7 | Very high | 95.8 | Very high | 38 Ų | 38 | 43.6 Ų | 43.6 | 26% | 0.257 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -80.9 | -5.1 | 177.1 | -56.7 | 0 | 0 | 0 | 0 | 112.9 | N10 W39 F40 L311 | N10-C42 VanDerWaalsContact CB-O 3.27Å; N10-C42 WeakPolarHBondContact CB-O 3.49Å; N10-C42 PolarHBondContact ND2-O 2.95Å; W39-C42 WeakPolarHBondContact O-CB 3.33Å; W39-C42 PolarHBondContact O-N 3.23Å; F40-C42 PolarHBondContact O-N 3.41Å; C42-L311 HydrophobicContact CB-CB 3.99Å; C42-L311 HydrophobicContact CB-CD2 3.86Å; C42-L311 HydrophobicContact CB-CG 4.32Å; C42-L311 PolarHBondContact SG-O 3.38Å |
| 43 | F | 96.2 | Very high | 95.8 | Very high | 7 Ų | 7 | 40.4 Ų | 40.4 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | trans | -103.6 | 128.2 | 178.1 | -69.5 | -78.5 | 0 | 0 | 0 | 110.7 | N10 I12 W39 F40 R41 P111 V215 L311 | N10-F43 HydrophobicContact CB-CD1 3.83Å; N10-F43 HydrophobicContact CB-CE1 4.24Å; I12-F43 HydrophobicContact CB-CD1 3.56Å; I12-F43 HydrophobicContact CB-CD2 4.45Å; I12-F43 HydrophobicContact CB-CE1 3.69Å; I12-F43 HydrophobicContact CB-CG 3.97Å; I12-F43 HydrophobicContact CB-CZ 4.19Å; I12-F43 HydrophobicContact CD1-CD2 4.42Å; I12-F43 HydrophobicContact CD1-CE1 4.39Å; I12-F43 HydrophobicContact CD1-CE2 4.05Å; I12-F43 HydrophobicContact CD1-CZ 4.02Å; I12-F43 HydrophobicContact CG1-CE1 4.46Å; I12-F43 HydrophobicContact CG2-CB 3.93Å; I12-F43 HydrophobicContact CG2-CD1 3.79Å; I12-F43 HydrophobicContact CG2-CD2 4.24Å; I12-F43 HydrophobicContact CG2-CE1 4.37Å; I12-F43 HydrophobicContact CG2-CG 3.7Å; W39-F43 HydrophobicContact CE3-CD2 4.12Å; W39-F43 AromaticContact CE3-CE2 3.77Å; W39-F43 HydrophobicContact CE3-CE2 3.77Å; W39-F43 HydrophobicContact CZ3-CD2 4.13Å; W39-F43 AromaticContact CZ3-CE2 3.93Å; W39-F43 HydrophobicContact CZ3-CE2 3.93Å; F40-F43 PolarHBondContact O-N 3.26Å; R41-F43 VanDerWaalsContact C-N 3.25Å; F43-P111 WeakPolarHBondContact O-CB 3.46Å; F43-V215 HydrophobicContact CE1-CB 4.14Å; F43-V215 HydrophobicContact CE1-CG2 3.83Å; F43-V215 HydrophobicContact CZ-CB 4.24Å; F43-V215 HydrophobicContact CZ-CG2 3.83Å; F43-L311 HydrophobicContact CE1-CD2 4.31Å; F43-L311 HydrophobicContact CE2-CD1 3.91Å; F43-L311 HydrophobicContact CE2-CD2 4.28Å; F43-L311 HydrophobicContact CZ-CD1 3.99Å; F43-L311 HydrophobicContact CZ-CD2 3.96Å | ||
| 44 | D | 95.9 | Very high | 95.9 | Very high | 56 Ų | 56 | 32 Ų | 32 | 30% | 0.299 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -92.2 | -23 | -179.3 | -52.7 | -78.5 | 0 | 0 | 0 | 111.5 | N9 N10 P111 R112 | N9-D44 VanDerWaalsContact CA-OD2 3.24Å; N9-D44 WeakPolarHBondContact CA-OD2 3.44Å; N9-D44 HydrophobicContact CB-CB 4.13Å; N10-D44 PolarHBondContact N-OD2 2.98Å; N10-D44 PolarHBondContact O-N 3.28Å; D44-P111 VanDerWaalsContact O-CB 3.27Å; D44-P111 WeakPolarHBondContact O-CB 3.38Å; D44-R112 PolarHBondContact O-N 2.82Å |
| 45 | W | 98 | Very high | 96.1 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 0% | 0.004 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 134.3 | -174.8 | -76.7 | 81.9 | 0 | 0 | 0 | 111.2 | N10 L11 I12 R112 V114 Y133 L190 E193 F194 L197 | N10-W45 PolarHBondContact O-N 3.2Å; L11-W45 WeakPolarHBondContact CA-O 3.22Å; L11-W45 HydrophobicContact CB-CB 4.42Å; L11-W45 HydrophobicContact CD1-CB 3.96Å; L11-W45 HydrophobicContact CD1-CG 4.19Å; L11-W45 HydrophobicContact CG-CB 3.7Å; L11-W45 HydrophobicContact CG-CG 4.29Å; I12-W45 PolarHBondContact N-O 3.39Å; W45-R112 WeakPolarHBondContact CA-O 3.07Å; W45-R112 HydrophobicContact CD2-CB 3.74Å; W45-R112 HydrophobicContact CD2-CG 4.45Å; W45-R112 HydrophobicContact CE3-CB 3.83Å; W45-R112 HydrophobicContact CG-CB 4.18Å; W45-R112 HydrophobicContact CZ3-CB 4.32Å; W45-V114 HydrophobicContact CE3-CG2 4.47Å; W45-V114 HydrophobicContact CZ3-CG2 4.4Å; W45-Y133 HydrophobicContact CH2-CE2 4.38Å; W45-Y133 HydrophobicContact CZ3-CE1 4.26Å; W45-Y133 AromaticContact CZ3-CZ 3.73Å; W45-Y133 WeakPolarHBondContact CZ3-OH 3.35Å; W45-L190 HydrophobicContact CB-CD1 4.17Å; W45-L190 HydrophobicContact CE3-CD1 3.72Å; W45-L190 HydrophobicContact CZ3-CD1 4.47Å; W45-E193 HydrophobicContact CH2-CG 4.35Å; W45-E193 HydrophobicContact CZ3-CB 4.44Å; W45-E193 HydrophobicContact CZ3-CG 3.84Å; W45-F194 AromaticContact CD1-CD2 4Å; W45-F194 HydrophobicContact CD2-CD2 4.19Å; W45-F194 AromaticContact CE2-CD2 3.55Å; W45-F194 HydrophobicContact CG-CD2 4.4Å; W45-F194 HydrophobicContact CH2-CB 4.4Å; W45-F194 HydrophobicContact CZ2-CB 4.34Å; W45-F194 AromaticContact CZ2-CD2 3.77Å; W45-F194 HydrophobicContact CZ2-CD2 3.77Å; W45-F194 AromaticContact NE1-CD2 3.48Å; W45-F194 AromaticContact NE1-CE2 3.81Å; W45-L197 HydrophobicContact CH2-CB 3.89Å; W45-L197 HydrophobicContact CH2-CD2 3.49Å; W45-L197 VanDerWaalsContact CH2-CD2 3.49Å; W45-L197 HydrophobicContact CH2-CG 4.33Å; W45-L197 HydrophobicContact CZ2-CB 4.27Å; W45-L197 HydrophobicContact CZ2-CD2 3.63Å |
| 46 | I | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 136.4 | -178.9 | -179.6 | 161.1 | 0 | 0 | 0 | 111.2 | I12 F14 F40 A56 P111 R112 L113 V114 | I12-I46 HydrophobicContact CG2-CB 4.01Å; I12-I46 HydrophobicContact CG2-CD1 4.14Å; I12-I46 HydrophobicContact CG2-CG1 3.98Å; I12-I46 CarbonylContact O-C 3.58Å; I12-I46 VanDerWaalsContact O-CA 3.24Å; I12-I46 WeakPolarHBondContact O-CA 3.47Å; F14-I46 HydrophobicContact CD2-CD1 4.19Å; F14-I46 HydrophobicContact CD2-CG1 4.4Å; F14-I46 HydrophobicContact CE2-CD1 3.47Å; F14-I46 VanDerWaalsContact CE2-CD1 3.47Å; F14-I46 HydrophobicContact CE2-CG1 4.05Å; F14-I46 HydrophobicContact CZ-CD1 4.31Å; F40-I46 HydrophobicContact CE2-CD1 3.57Å; F40-I46 HydrophobicContact CZ-CD1 3.89Å; I46-A56 HydrophobicContact CD1-CB 3.77Å; I46-A56 HydrophobicContact CG1-CB 3.86Å; I46-P111 HydrophobicContact CB-CG 4.26Å; I46-P111 HydrophobicContact CG2-CB 4.23Å; I46-P111 HydrophobicContact CG2-CG 3.53Å; I46-R112 WeakPolarHBondContact CG2-O 3.44Å; I46-R112 PolarHBondContact N-O 3.38Å; I46-L113 HydrophobicContact CG1-CD1 4.46Å; I46-L113 HydrophobicContact CG2-CB 4.05Å; I46-L113 HydrophobicContact CG2-CD1 3.61Å; I46-L113 HydrophobicContact CG2-CG 4.45Å; I46-L113 CarbonylContact O-C 3.59Å; I46-L113 WeakPolarHBondContact O-CA 3.38Å; I46-V114 PolarHBondContact O-N 2.9Å |
| 47 | A | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 152.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | I12 A13 F14 V114 P186 L190 | I12-A47 PolarHBondContact O-N 3.01Å; A13-A47 CarbonylContact C-O 3.41Å; A13-A47 WeakPolarHBondContact CA-O 3.26Å; A13-A47 HydrophobicContact CB-CB 4.43Å; F14-A47 PolarHBondContact N-O 2.99Å; A47-V114 WeakPolarHBondContact CA-O 3.43Å; A47-V114 HydrophobicContact CB-CB 4.16Å; A47-P186 HydrophobicContact CB-CB 3.93Å; A47-P186 HydrophobicContact CB-CG 4.01Å; A47-L190 HydrophobicContact CB-CB 3.82Å; A47-L190 HydrophobicContact CB-CD1 3.99Å; A47-L190 HydrophobicContact CB-CD2 3.84Å; A47-L190 HydrophobicContact CB-CG 4.08Å |
| 48 | G | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 147.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | F14 V114 T116 | F14-G48 WeakPolarHBondContact O-CA 3.21Å; G48-V114 PolarHBondContact N-O 3.28Å; G48-V114 VanDerWaalsContact N-O 3.08Å; G48-T116 PolarHBondContact O-N 2.9Å; G48-T116 VanDerWaalsContact O-N 3.15Å |
| 49 | T | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 138.9 | 174 | -53.3 | 0 | 0 | 0 | 0 | 110.5 | F14 G16 F51 G52 A53 T116 G180 S183 P186 | F14-T49 PolarHBondContact O-N 3.24Å; F14-T49 VanDerWaalsContact O-N 3.13Å; G16-T49 VanDerWaalsContact CA-O 3.23Å; G16-T49 WeakPolarHBondContact CA-O 3.4Å; G16-T49 PolarHBondContact N-O 2.84Å; T49-F51 PolarHBondContact O-N 3.35Å; T49-G52 VanDerWaalsContact O-CA 3.27Å; T49-G52 WeakPolarHBondContact O-CA 3.28Å; T49-G52 PolarHBondContact O-N 2.93Å; T49-A53 PolarHBondContact O-N 3.44Å; T49-T116 VanDerWaalsContact CB-OG1 3.3Å; T49-T116 WeakPolarHBondContact CB-OG1 3.49Å; T49-T116 WeakPolarHBondContact CG2-OG1 3.37Å; T49-T116 PolarHBondContact OG1-OG1 3.44Å; T49-G180 VanDerWaalsContact CG2-N 3.32Å; T49-S183 VanDerWaalsContact CG2-O 3.32Å; T49-S183 WeakPolarHBondContact CG2-O 3.41Å; T49-S183 PolarHBondContact OG1-O 2.96Å; T49-P186 WeakPolarHBondContact OG1-CB 3.31Å; T49-P186 WeakPolarHBondContact OG1-CD 3.3Å; T49-P186 WeakPolarHBondContact OG1-CG 3.24Å |
| 50 | S | 95.9 | Very high | 97.2 | Very high | 4 Ų | 4 | 18.6 Ų | 18.6 | 3% | 0.028 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | -128.6 | 177.3 | -165.8 | 0 | 0 | 0 | 0 | 110.9 | G52 A53 V54 S162 T163 D178 | S50-G52 PolarHBondContact O-N 3.41Å; S50-A53 WeakPolarHBondContact O-CA 3.32Å; S50-A53 WeakPolarHBondContact O-CB 3.41Å; S50-A53 PolarHBondContact O-N 3.4Å; S50-V54 PolarHBondContact O-N 2.89Å; S50-S162 VanDerWaalsContact CA-O 3.25Å; S50-S162 WeakPolarHBondContact CA-O 3.49Å; S50-S162 PolarHBondContact N-O 3.09Å; S50-S162 PolarHBondContact N-OG 3.36Å; S50-T163 WeakPolarHBondContact O-CG2 3.43Å; S50-D178 WeakPolarHBondContact CB-OD1 3.39Å; S50-D178 WeakPolarHBondContact CB-OD2 3.34Å; S50-D178 PolarHBondContact OG-OD2 2.84Å |
| 51 | F | 95.8 | Very high | 97.3 | Very high | 9 Ų | 9 | 20 Ų | 20 | 4% | 0.039 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -57.8 | -30.9 | 174.3 | -174.7 | -91.8 | 0 | 0 | 0 | 113.2 | L24 V25 T49 A53 V54 L55 I68 V72 L75 | L24-F51 HydrophobicContact CD1-CD1 4.25Å; V25-F51 HydrophobicContact CG2-CE1 4.33Å; T49-F51 PolarHBondContact O-N 3.35Å; F51-A53 PolarHBondContact O-N 3.28Å; F51-V54 HydrophobicContact CD2-CB 4.41Å; F51-V54 HydrophobicContact CE2-CG1 4.44Å; F51-V54 WeakPolarHBondContact O-CB 3.46Å; F51-V54 PolarHBondContact O-N 2.95Å; F51-V54 VanDerWaalsContact O-N 3.15Å; F51-L55 HydrophobicContact CE1-CB 4.29Å; F51-L55 PolarHBondContact O-N 2.87Å; F51-I68 HydrophobicContact CZ-CG2 4.27Å; F51-V72 HydrophobicContact CE1-CG2 3.82Å; F51-V72 HydrophobicContact CE2-CG2 3.81Å; F51-V72 HydrophobicContact CZ-CB 4.37Å; F51-V72 HydrophobicContact CZ-CG2 3.19Å; F51-L75 HydrophobicContact CD2-CD1 3.99Å; F51-L75 HydrophobicContact CE2-CD1 3.74Å |
| 52 | G | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.6 | -31.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | T49 S50 A56 | T49-G52 VanDerWaalsContact O-CA 3.27Å; T49-G52 WeakPolarHBondContact O-CA 3.28Å; T49-G52 PolarHBondContact O-N 2.93Å; S50-G52 PolarHBondContact O-N 3.41Å; G52-A56 WeakPolarHBondContact O-CB 3.36Å; G52-A56 PolarHBondContact O-N 3.1Å |
| 53 | A | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -68.7 | -44 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | T49 S50 F51 L55 A56 I57 I115 S162 | T49-A53 PolarHBondContact O-N 3.44Å; S50-A53 WeakPolarHBondContact O-CA 3.32Å; S50-A53 WeakPolarHBondContact O-CB 3.41Å; S50-A53 PolarHBondContact O-N 3.4Å; F51-A53 PolarHBondContact O-N 3.28Å; A53-L55 VanDerWaalsContact C-N 3.33Å; A53-A56 PolarHBondContact O-N 3.14Å; A53-I57 WeakPolarHBondContact O-CG1 3.37Å; A53-I57 PolarHBondContact O-N 3.42Å; A53-I115 HydrophobicContact CB-CD1 3.75Å; A53-I115 HydrophobicContact CB-CG1 4.46Å; A53-I115 HydrophobicContact CB-CG2 3.6Å; A53-S162 WeakPolarHBondContact CB-OG 3.25Å |
| 54 | V | 98 | Very high | 97.6 | Very high | 4 Ų | 4 | 18.5 Ų | 18.5 | 2% | 0.024 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.3 | -46.6 | 175.7 | -179 | 0 | 0 | 0 | 0 | 110 | S50 F51 A56 I57 L58 L96 A159 T163 | S50-V54 PolarHBondContact O-N 2.89Å; F51-V54 HydrophobicContact CD2-CB 4.41Å; F51-V54 HydrophobicContact CE2-CG1 4.44Å; F51-V54 WeakPolarHBondContact O-CB 3.46Å; F51-V54 PolarHBondContact O-N 2.95Å; F51-V54 VanDerWaalsContact O-N 3.15Å; V54-A56 VanDerWaalsContact C-N 3.35Å; V54-A56 PolarHBondContact O-N 3.15Å; V54-I57 PolarHBondContact O-N 2.77Å; V54-L58 HydrophobicContact CG1-CD1 3.77Å; V54-L58 HydrophobicContact CG1-CG 4.45Å; V54-L58 WeakPolarHBondContact O-CB 3.31Å; V54-L58 VanDerWaalsContact O-CG 3.28Å; V54-L58 WeakPolarHBondContact O-CG 3.48Å; V54-L58 PolarHBondContact O-N 3.23Å; V54-L96 HydrophobicContact CG1-CD2 3.84Å; V54-L96 HydrophobicContact CG2-CD1 4.41Å; V54-L96 HydrophobicContact CG2-CD2 3.82Å; V54-A159 HydrophobicContact CG2-CB 4.24Å; V54-T163 HydrophobicContact CG2-CG2 3.84Å |
| 55 | L | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.1 | -46.9 | 174.6 | 174 | 60.4 | 0 | 0 | 0 | 111.6 | F14 L24 V25 L28 F51 A53 I57 L58 L59 I68 | F14-L55 HydrophobicContact CB-CD2 4.47Å; F14-L55 HydrophobicContact CD1-CD2 3.99Å; F14-L55 HydrophobicContact CD2-CD2 4.08Å; F14-L55 HydrophobicContact CD2-CG 4.12Å; F14-L55 HydrophobicContact CE1-CD2 4.27Å; F14-L55 HydrophobicContact CE2-CD2 4.3Å; F14-L55 HydrophobicContact CE2-CG 4.17Å; F14-L55 HydrophobicContact CG-CD2 3.92Å; F14-L55 HydrophobicContact CG-CG 4.46Å; F14-L55 HydrophobicContact CZ-CD2 4.42Å; L24-L55 HydrophobicContact CB-CD2 3.6Å; L24-L55 HydrophobicContact CD1-CD2 4.01Å; L24-L55 HydrophobicContact CG-CD2 4.44Å; V25-L55 HydrophobicContact CG2-CD1 4.26Å; L28-L55 HydrophobicContact CD1-CD1 3.99Å; L28-L55 HydrophobicContact CD1-CD2 3.9Å; L28-L55 HydrophobicContact CD1-CG 4.27Å; F51-L55 HydrophobicContact CE1-CB 4.29Å; F51-L55 PolarHBondContact O-N 2.87Å; A53-L55 VanDerWaalsContact C-N 3.33Å; L55-I57 PolarHBondContact O-N 3.24Å; L55-L58 PolarHBondContact O-N 2.82Å; L55-L59 HydrophobicContact CD1-CD1 3.86Å; L55-L59 HydrophobicContact CD1-CG 4.04Å; L55-L59 HydrophobicContact CG-CD1 4Å; L55-L59 VanDerWaalsContact O-CG 3.29Å; L55-L59 WeakPolarHBondContact O-CG 3.38Å; L55-L59 PolarHBondContact O-N 3.22Å; L55-I68 HydrophobicContact CD1-CD1 3.87Å; L55-I68 HydrophobicContact CD1-CG2 3.92Å |
| 56 | A | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.1 | -46.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F14 I46 G52 A53 V54 L59 C60 L113 I115 | F14-A56 HydrophobicContact CD2-CB 4.04Å; F14-A56 HydrophobicContact CE2-CB 4.4Å; I46-A56 HydrophobicContact CD1-CB 3.77Å; I46-A56 HydrophobicContact CG1-CB 3.86Å; G52-A56 WeakPolarHBondContact O-CB 3.36Å; G52-A56 PolarHBondContact O-N 3.1Å; A53-A56 PolarHBondContact O-N 3.14Å; V54-A56 VanDerWaalsContact C-N 3.35Å; V54-A56 PolarHBondContact O-N 3.15Å; A56-L59 PolarHBondContact O-N 2.92Å; A56-C60 PolarHBondContact O-N 3.38Å; A56-C60 VanDerWaalsContact O-N 3.09Å; A56-C60 PolarHBondContact O-SG 3.42Å; A56-L113 HydrophobicContact CB-CD1 3.74Å; A56-I115 HydrophobicContact CB-CD1 4.14Å |
| 57 | I | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.8 | -48.7 | 178.5 | -66.3 | 162.4 | 0 | 0 | 0 | 110.5 | A53 V54 L55 L59 C60 Q61 L100 L113 I115 L155 A159 | A53-I57 WeakPolarHBondContact O-CG1 3.37Å; A53-I57 PolarHBondContact O-N 3.42Å; V54-I57 PolarHBondContact O-N 2.77Å; L55-I57 PolarHBondContact O-N 3.24Å; I57-L59 VanDerWaalsContact C-N 3.29Å; I57-L59 PolarHBondContact O-N 2.82Å; I57-C60 WeakPolarHBondContact O-CB 3.44Å; I57-C60 PolarHBondContact O-N 3.42Å; I57-C60 VanDerWaalsContact O-N 3.1Å; I57-Q61 HydrophobicContact CG2-CG 4.38Å; I57-Q61 WeakPolarHBondContact O-CG 3.41Å; I57-Q61 PolarHBondContact O-N 3.48Å; I57-L100 HydrophobicContact CB-CD2 4.35Å; I57-L100 HydrophobicContact CD1-CD1 4.39Å; I57-L100 HydrophobicContact CG2-CD1 4.41Å; I57-L100 HydrophobicContact CG2-CD2 3.8Å; I57-L113 HydrophobicContact CG1-CD2 3.95Å; I57-I115 HydrophobicContact CD1-CD1 4.4Å; I57-I115 HydrophobicContact CD1-CG1 4.28Å; I57-I115 HydrophobicContact CG1-CD1 4.19Å; I57-I115 HydrophobicContact CG1-CG1 4.35Å; I57-L155 HydrophobicContact CG2-CB 4.08Å; I57-L155 HydrophobicContact CG2-CD1 4.18Å; I57-L155 HydrophobicContact CG2-CD2 4.02Å; I57-L155 HydrophobicContact CG2-CG 4.33Å; I57-A159 HydrophobicContact CD1-CB 3.85Å |
| 58 | L | 98.2 | Very high | 97.6 | Very high | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.3 | -39 | -178.8 | -73.6 | 168.5 | 0 | 0 | 0 | 112.2 | V54 L55 Q61 G62 H63 I68 L71 L100 | V54-L58 HydrophobicContact CG1-CD1 3.77Å; V54-L58 HydrophobicContact CG1-CG 4.45Å; V54-L58 WeakPolarHBondContact O-CB 3.31Å; V54-L58 VanDerWaalsContact O-CG 3.28Å; V54-L58 WeakPolarHBondContact O-CG 3.48Å; V54-L58 PolarHBondContact O-N 3.23Å; L55-L58 PolarHBondContact O-N 2.82Å; L58-Q61 PolarHBondContact O-N 2.79Å; L58-G62 PolarHBondContact O-N 3.14Å; L58-H63 HydrophobicContact CB-CB 4.14Å; L58-H63 HydrophobicContact CD2-CB 4.39Å; L58-H63 WeakPolarHBondContact O-CB 3.29Å; L58-H63 PolarHBondContact O-CD2 3.43Å; L58-H63 PolarHBondContact O-N 2.62Å; L58-I68 HydrophobicContact CB-CD1 3.66Å; L58-I68 HydrophobicContact CB-CG1 4Å; L58-I68 HydrophobicContact CD1-CD1 4.46Å; L58-I68 HydrophobicContact CD1-CG1 4.04Å; L58-I68 HydrophobicContact CD1-CG2 4.08Å; L58-L71 HydrophobicContact CD1-CD2 3.71Å; L58-L100 HydrophobicContact CD2-CD2 3.5Å; L58-L100 HydrophobicContact CG-CD2 3.67Å |
| 59 | L | 98.2 | Very high | 97.4 | Very high | 10 Ų | 10 | 25.5 Ų | 25.5 | 5% | 0.052 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.4 | -44 | 174.5 | -71.1 | 169.7 | 0 | 0 | 0 | 111.8 | F14 L28 W39 F40 L55 A56 I57 Q61 G62 L65 I68 | F14-L59 HydrophobicContact CE2-CD1 3.66Å; F14-L59 HydrophobicContact CZ-CD1 3.76Å; L28-L59 HydrophobicContact CD1-CD1 3.76Å; W39-L59 HydrophobicContact CH2-CD1 4.23Å; W39-L59 HydrophobicContact CZ2-CD2 4.24Å; F40-L59 HydrophobicContact CD1-CB 4.45Å; F40-L59 HydrophobicContact CD2-CB 4.23Å; F40-L59 HydrophobicContact CD2-CD1 4.33Å; F40-L59 HydrophobicContact CE1-CB 4.01Å; F40-L59 WeakPolarHBondContact CE1-O 3.38Å; F40-L59 HydrophobicContact CE2-CB 3.76Å; F40-L59 HydrophobicContact CE2-CD1 4.11Å; F40-L59 HydrophobicContact CZ-CB 3.64Å; L55-L59 HydrophobicContact CD1-CD1 3.86Å; L55-L59 HydrophobicContact CD1-CG 4.04Å; L55-L59 HydrophobicContact CG-CD1 4Å; L55-L59 VanDerWaalsContact O-CG 3.29Å; L55-L59 WeakPolarHBondContact O-CG 3.38Å; L55-L59 PolarHBondContact O-N 3.22Å; A56-L59 PolarHBondContact O-N 2.92Å; I57-L59 VanDerWaalsContact C-N 3.29Å; I57-L59 PolarHBondContact O-N 2.82Å; L59-Q61 PolarHBondContact O-N 3.38Å; L59-G62 PolarHBondContact O-N 2.87Å; L59-L65 HydrophobicContact CD2-CD2 3.83Å; L59-I68 HydrophobicContact CD2-CD1 4.07Å; L59-I68 HydrophobicContact CG-CD1 4.19Å |
| 60 | C | 97.8 | Very high | 97.3 | Very high | 23 Ų | 23 | 32.7 Ų | 32.7 | 16% | 0.155 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.4 | -31.9 | 175.5 | -64.6 | 0 | 0 | 0 | 0 | 112.5 | A56 I57 G62 I108 | A56-C60 PolarHBondContact O-N 3.38Å; A56-C60 VanDerWaalsContact O-N 3.09Å; A56-C60 PolarHBondContact O-SG 3.42Å; I57-C60 WeakPolarHBondContact O-CB 3.44Å; I57-C60 PolarHBondContact O-N 3.42Å; I57-C60 VanDerWaalsContact O-N 3.1Å; C60-G62 PolarHBondContact O-N 3.12Å; C60-I108 HydrophobicContact CB-CB 4.49Å; C60-I108 HydrophobicContact CB-CD1 3.55Å; C60-I108 HydrophobicContact CB-CG1 3.95Å; C60-I108 HydrophobicContact CB-CG2 3.72Å |
| 61 | Q | 97 | Very high | 97.3 | Very high | 63 Ų | 63 | 32.6 Ų | 32.6 | 29% | 0.294 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -1.3 | 173.7 | -68.7 | -179.2 | -53.8 | 0 | 0 | 113.5 | I57 L58 L59 L100 L155 | I57-Q61 HydrophobicContact CG2-CG 4.38Å; I57-Q61 WeakPolarHBondContact O-CG 3.41Å; I57-Q61 PolarHBondContact O-N 3.48Å; L58-Q61 PolarHBondContact O-N 2.79Å; L59-Q61 PolarHBondContact O-N 3.38Å; Q61-L100 PolarHBondContact NE2-O 3.39Å; Q61-L155 HydrophobicContact CG-CD1 4.32Å; Q61-L155 VanDerWaalsContact NE2-CD1 3.29Å |
| 62 | G | 96.1 | Very high | 97.2 | Very high | 66 Ų | 66 | 32.2 Ų | 32.2 | 68% | 0.68 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | 18.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L58 L59 C60 | L58-G62 PolarHBondContact O-N 3.14Å; L59-G62 PolarHBondContact O-N 2.87Å; C60-G62 PolarHBondContact O-N 3.12Å |
| 63 | H | 97 | Very high | 96.9 | Very high | 75 Ų | 75 | 34.3 Ų | 34.3 | 35% | 0.347 | 19% | 0.188 | S | C | . | . | trans | -67.9 | 138.9 | 176 | -72.7 | -121 | 0 | 0 | 0 | 111.2 | L58 I68 | L58-H63 HydrophobicContact CB-CB 4.14Å; L58-H63 HydrophobicContact CD2-CB 4.39Å; L58-H63 WeakPolarHBondContact O-CB 3.29Å; L58-H63 PolarHBondContact O-CD2 3.43Å; L58-H63 PolarHBondContact O-N 2.62Å; H63-I68 HydrophobicContact CB-CD1 4.2Å; H63-I68 HydrophobicContact CB-CG1 4.06Å | ||
| 64 | S | 97.2 | Very high | 96.7 | Very high | 76 Ų | 76 | 38.6 Ų | 38.6 | 53% | 0.531 | 21% | 0.205 | S | C | . | . | trans | -67.5 | 143.5 | 175.3 | 71.3 | 0 | 0 | 0 | 0 | 112 | R66 G67 I68 | S64-R66 PolarHBondContact O-N 3.38Å; S64-G67 WeakPolarHBondContact O-CA 3.27Å; S64-G67 PolarHBondContact O-N 2.91Å; S64-G67 PolarHBondContact OG-N 3.49Å; S64-G67 VanDerWaalsContact OG-N 3.11Å; S64-I68 WeakPolarHBondContact O-CG1 3.24Å; S64-I68 PolarHBondContact O-N 2.96Å | ||
| 65 | L | 98.1 | Very high | 96.3 | Very high | 6 Ų | 6 | 39 Ų | 39 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -55.5 | -35.9 | 176.3 | -70.1 | 172.8 | 0 | 0 | 0 | 112.9 | V25 L28 L29 E32 W39 L59 I68 Q69 | V25-L65 HydrophobicContact CG1-CB 4.49Å; V25-L65 VanDerWaalsContact CG1-O 3.28Å; V25-L65 WeakPolarHBondContact CG1-O 3.28Å; L28-L65 HydrophobicContact CB-CD1 3.88Å; L28-L65 HydrophobicContact CB-CD2 3.58Å; L28-L65 HydrophobicContact CB-CG 4.4Å; L28-L65 HydrophobicContact CD1-CD2 3.75Å; L28-L65 HydrophobicContact CG-CD2 4.35Å; L29-L65 HydrophobicContact CD2-CB 3.6Å; L29-L65 HydrophobicContact CD2-CD1 4.07Å; L29-L65 HydrophobicContact CG-CB 4.01Å; L29-L65 HydrophobicContact CG-CD1 4.25Å; E32-L65 HydrophobicContact CB-CD1 4.1Å; W39-L65 HydrophobicContact CZ2-CD1 4.33Å; W39-L65 HydrophobicContact CZ2-CD2 4.44Å; L59-L65 HydrophobicContact CD2-CD2 3.83Å; L65-I68 PolarHBondContact O-N 3.41Å; L65-Q69 WeakPolarHBondContact O-CB 3.17Å; L65-Q69 PolarHBondContact O-N 2.86Å |
| 66 | R | 97.1 | Very high | 95.8 | Very high | 141 Ų | 141 | 39.7 Ų | 39.7 | 53% | 0.532 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -68.8 | -33.7 | 175.3 | -66.1 | -61.4 | -174.5 | 177.7 | 1 | 112.9 | L29 S64 K70 | L29-R66 HydrophobicContact CD2-CG 4.26Å; S64-R66 PolarHBondContact O-N 3.38Å; R66-K70 WeakPolarHBondContact O-CG 3.42Å; R66-K70 PolarHBondContact O-N 2.9Å; R66-K70 VanDerWaalsContact O-N 3.15Å |
| 67 | G | 97.1 | Very high | 95.2 | Very high | 30 Ų | 30 | 43.6 Ų | 43.6 | 31% | 0.309 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.4 | -46 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | S64 Q69 K70 L71 | S64-G67 WeakPolarHBondContact O-CA 3.27Å; S64-G67 PolarHBondContact O-N 2.91Å; S64-G67 PolarHBondContact OG-N 3.49Å; S64-G67 VanDerWaalsContact OG-N 3.11Å; G67-Q69 VanDerWaalsContact C-N 3.35Å; G67-Q69 PolarHBondContact O-N 3.33Å; G67-K70 WeakPolarHBondContact O-CB 3.38Å; G67-K70 PolarHBondContact O-N 2.76Å; G67-L71 PolarHBondContact O-N 2.93Å |
| 68 | I | 97.5 | Very high | 94.6 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.6 | -40.3 | 177.8 | -55.4 | 173.9 | 0 | 0 | 0 | 110.8 | V25 F51 L55 L58 L59 H63 S64 L65 K70 L71 V72 | V25-I68 HydrophobicContact CG2-CG2 3.84Å; F51-I68 HydrophobicContact CZ-CG2 4.27Å; L55-I68 HydrophobicContact CD1-CD1 3.87Å; L55-I68 HydrophobicContact CD1-CG2 3.92Å; L58-I68 HydrophobicContact CB-CD1 3.66Å; L58-I68 HydrophobicContact CB-CG1 4Å; L58-I68 HydrophobicContact CD1-CD1 4.46Å; L58-I68 HydrophobicContact CD1-CG1 4.04Å; L58-I68 HydrophobicContact CD1-CG2 4.08Å; L59-I68 HydrophobicContact CD2-CD1 4.07Å; L59-I68 HydrophobicContact CG-CD1 4.19Å; H63-I68 HydrophobicContact CB-CD1 4.2Å; H63-I68 HydrophobicContact CB-CG1 4.06Å; S64-I68 WeakPolarHBondContact O-CG1 3.24Å; S64-I68 PolarHBondContact O-N 2.96Å; L65-I68 PolarHBondContact O-N 3.41Å; I68-K70 VanDerWaalsContact C-N 3.35Å; I68-K70 PolarHBondContact O-N 3.03Å; I68-L71 WeakPolarHBondContact O-CB 3.35Å; I68-L71 PolarHBondContact O-N 3.46Å; I68-L71 VanDerWaalsContact O-N 3.09Å; I68-V72 VanDerWaalsContact O-CG2 3.25Å; I68-V72 WeakPolarHBondContact O-CG2 3.39Å; I68-V72 PolarHBondContact O-N 2.9Å |
| 69 | Q | 96.1 | Very high | 94 | Very high | 26 Ų | 26 | 46 Ų | 46 | 12% | 0.121 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -56.9 | -48 | 174.4 | -169.3 | 169.8 | 45.9 | 0 | 0 | 111.3 | V25 L65 G67 L71 V72 F73 | V25-Q69 HydrophobicContact CG1-CB 3.78Å; V25-Q69 HydrophobicContact CG1-CG 4.42Å; L65-Q69 WeakPolarHBondContact O-CB 3.17Å; L65-Q69 PolarHBondContact O-N 2.86Å; G67-Q69 VanDerWaalsContact C-N 3.35Å; G67-Q69 PolarHBondContact O-N 3.33Å; Q69-L71 VanDerWaalsContact C-N 3.27Å; Q69-L71 PolarHBondContact O-N 3.39Å; Q69-V72 PolarHBondContact O-N 3.4Å; Q69-F73 HydrophobicContact CG-CD2 4.34Å; Q69-F73 HydrophobicContact CG-CE2 4.22Å; Q69-F73 WeakPolarHBondContact O-CD2 3.24Å; Q69-F73 PolarHBondContact O-N 3.31Å |
| 70 | K | 95.3 | Very high | 93.1 | Very high | 150 Ų | 150 | 47.3 Ų | 47.3 | 65% | 0.652 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -60.3 | -37.5 | 175.8 | -71.7 | 175.7 | -178.6 | -177.4 | 0 | 112.2 | R66 G67 I68 F73 R74 | R66-K70 WeakPolarHBondContact O-CG 3.42Å; R66-K70 PolarHBondContact O-N 2.9Å; R66-K70 VanDerWaalsContact O-N 3.15Å; G67-K70 WeakPolarHBondContact O-CB 3.38Å; G67-K70 PolarHBondContact O-N 2.76Å; I68-K70 VanDerWaalsContact C-N 3.35Å; I68-K70 PolarHBondContact O-N 3.03Å; K70-F73 PolarHBondContact O-N 2.84Å; K70-R74 WeakPolarHBondContact O-CG 3.45Å; K70-R74 PolarHBondContact O-N 3.41Å; K70-R74 VanDerWaalsContact O-N 3.11Å |
| 71 | L | 94.6 | Very high | 92.3 | Very high | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.6 | -48.3 | 174.8 | 175.4 | 58.7 | 0 | 0 | 0 | 110.9 | L58 G67 I68 Q69 F73 R74 L75 T95 E99 | L58-L71 HydrophobicContact CD1-CD2 3.71Å; G67-L71 PolarHBondContact O-N 2.93Å; I68-L71 WeakPolarHBondContact O-CB 3.35Å; I68-L71 PolarHBondContact O-N 3.46Å; I68-L71 VanDerWaalsContact O-N 3.09Å; Q69-L71 VanDerWaalsContact C-N 3.27Å; Q69-L71 PolarHBondContact O-N 3.39Å; L71-F73 VanDerWaalsContact C-N 3.29Å; L71-F73 PolarHBondContact O-N 3.17Å; L71-R74 WeakPolarHBondContact O-CA 3.29Å; L71-R74 WeakPolarHBondContact O-CB 3.3Å; L71-R74 PolarHBondContact O-N 3.47Å; L71-L75 HydrophobicContact CD1-CD2 3.99Å; L71-L75 HydrophobicContact CD1-CG 4.08Å; L71-L75 HydrophobicContact CG-CD1 4.35Å; L71-L75 HydrophobicContact CG-CG 4.27Å; L71-L75 WeakPolarHBondContact O-CG 3.33Å; L71-L75 PolarHBondContact O-N 3.44Å; L71-T95 HydrophobicContact CD1-CG2 4.22Å; L71-E99 HydrophobicContact CD1-CG 3.71Å; L71-E99 HydrophobicContact CD2-CB 4.19Å; L71-E99 HydrophobicContact CD2-CG 4.01Å |
| 72 | V | 93.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -53.5 | -48.8 | 179 | -169.4 | 0 | 0 | 0 | 0 | 111.2 | M19 V22 V25 F51 I68 Q69 R74 L75 | M19-V72 HydrophobicContact CE-CG1 4.04Å; M19-V72 VanDerWaalsContact CE-O 3.29Å; M19-V72 WeakPolarHBondContact CE-O 3.46Å; V22-V72 HydrophobicContact CB-CG1 4.22Å; V25-V72 HydrophobicContact CG2-CG2 4.17Å; F51-V72 HydrophobicContact CE1-CG2 3.82Å; F51-V72 HydrophobicContact CE2-CG2 3.81Å; F51-V72 HydrophobicContact CZ-CB 4.37Å; F51-V72 HydrophobicContact CZ-CG2 3.19Å; I68-V72 VanDerWaalsContact O-CG2 3.25Å; I68-V72 WeakPolarHBondContact O-CG2 3.39Å; I68-V72 PolarHBondContact O-N 2.9Å; Q69-V72 PolarHBondContact O-N 3.4Å; V72-R74 VanDerWaalsContact C-N 3.28Å; V72-R74 PolarHBondContact O-N 2.85Å; V72-L75 PolarHBondContact O-N 3.47Å |
| 73 | F | 93 | Very high | 90.7 | Very high | 44 Ų | 44 | 60.6 Ų | 60.6 | 19% | 0.193 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.6 | -28.4 | 178.5 | -82 | -88.5 | 0 | 0 | 0 | 113.5 | V22 Q69 K70 L71 K76 E283 L286 V287 | V22-F73 HydrophobicContact CG2-CD2 4.46Å; V22-F73 HydrophobicContact CG2-CE2 3.62Å; V22-F73 HydrophobicContact CG2-CZ 4.11Å; Q69-F73 HydrophobicContact CG-CD2 4.34Å; Q69-F73 HydrophobicContact CG-CE2 4.22Å; Q69-F73 WeakPolarHBondContact O-CD2 3.24Å; Q69-F73 PolarHBondContact O-N 3.31Å; K70-F73 PolarHBondContact O-N 2.84Å; L71-F73 VanDerWaalsContact C-N 3.29Å; L71-F73 PolarHBondContact O-N 3.17Å; F73-K76 WeakPolarHBondContact O-CD 3.5Å; F73-K76 VanDerWaalsContact O-CE 3.27Å; F73-K76 WeakPolarHBondContact O-CE 3.32Å; F73-K76 VanDerWaalsContact O-CG 3.25Å; F73-K76 WeakPolarHBondContact O-CG 3.42Å; F73-E283 HydrophobicContact CD1-CG 4.15Å; F73-E283 HydrophobicContact CE1-CG 3.9Å; F73-L286 HydrophobicContact CD1-CD1 4Å; F73-L286 HydrophobicContact CE1-CB 3.75Å; F73-L286 HydrophobicContact CE1-CD1 3.87Å; F73-L286 HydrophobicContact CE1-CG 4.48Å; F73-L286 HydrophobicContact CZ-CB 3.86Å; F73-V287 HydrophobicContact CE1-CG2 4.46Å; F73-V287 HydrophobicContact CZ-CG2 4.42Å |
| 74 | R | 92.7 | Very high | 90.2 | Very high | 90 Ų | 90 | 61.5 Ų | 61.5 | 34% | 0.34 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -75.6 | -35.8 | 174 | -73.3 | -171.5 | -65.4 | 147 | -3.9 | 112.9 | K70 L71 V72 K76 D77 E78 E99 | K70-R74 WeakPolarHBondContact O-CG 3.45Å; K70-R74 PolarHBondContact O-N 3.41Å; K70-R74 VanDerWaalsContact O-N 3.11Å; L71-R74 WeakPolarHBondContact O-CA 3.29Å; L71-R74 WeakPolarHBondContact O-CB 3.3Å; L71-R74 PolarHBondContact O-N 3.47Å; V72-R74 VanDerWaalsContact C-N 3.28Å; V72-R74 PolarHBondContact O-N 2.85Å; R74-K76 PolarHBondContact O-N 3.15Å; R74-K76 VanDerWaalsContact O-N 3.11Å; R74-D77 PolarHBondContact O-N 3.5Å; R74-E78 IonicContact NH1-OE1 2.81Å; R74-E78 PolarHBondContact O-N 3.44Å; R74-E99 IonicContact CZ-OE1 3.87Å; R74-E99 IonicContact NH1-OE1 3.68Å; R74-E99 PolarHBondContact NH1-OE1 2.92Å; R74-E99 VanDerWaalsContact NH1-OE1 3.1Å; R74-E99 IonicContact NH2-OE1 3.62Å; R74-E99 PolarHBondContact NH2-OE1 3.13Å; R74-E99 IonicContact NH2-OE2 3.1Å; R74-E99 PolarHBondContact NH2-OE2 2.83Å |
| 75 | L | 90.6 | Very high | 89.6 | Confident | 12 Ų | 12 | 59.6 Ų | 59.6 | 6% | 0.063 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56.5 | -31.7 | -177.6 | -68.6 | 173.4 | 0 | 0 | 0 | 112.2 | M19 F51 L71 V72 D77 E78 I79 T95 | M19-L75 HydrophobicContact SD-CB 4.33Å; F51-L75 HydrophobicContact CD2-CD1 3.99Å; F51-L75 HydrophobicContact CE2-CD1 3.74Å; L71-L75 HydrophobicContact CD1-CD2 3.99Å; L71-L75 HydrophobicContact CD1-CG 4.08Å; L71-L75 HydrophobicContact CG-CD1 4.35Å; L71-L75 HydrophobicContact CG-CG 4.27Å; L71-L75 WeakPolarHBondContact O-CG 3.33Å; L71-L75 PolarHBondContact O-N 3.44Å; V72-L75 PolarHBondContact O-N 3.47Å; L75-D77 VanDerWaalsContact C-N 3.29Å; L75-D77 PolarHBondContact O-N 3.23Å; L75-E78 PolarHBondContact O-N 3.02Å; L75-I79 HydrophobicContact CB-CD1 4.2Å; L75-I79 HydrophobicContact CD2-CD1 3.41Å; L75-I79 VanDerWaalsContact CD2-CD1 3.41Å; L75-I79 HydrophobicContact CD2-CG1 4.49Å; L75-I79 HydrophobicContact CG-CD1 4.33Å; L75-I79 WeakPolarHBondContact O-CB 3.36Å; L75-I79 PolarHBondContact O-N 3.02Å; L75-T95 HydrophobicContact CD2-CG2 3.61Å |
| 76 | K | 86.8 | Confident | 89.1 | Confident | 16 Ų | 16 | 65.5 Ų | 65.5 | 7% | 0.07 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.2 | -40.1 | 176.9 | 85 | -168.9 | 166.5 | 54 | 0 | 113.2 | M19 F73 R74 F80 T281 E283 L286 | M19-K76 HydrophobicContact CE-CB 3.69Å; M19-K76 HydrophobicContact SD-CB 4.11Å; F73-K76 WeakPolarHBondContact O-CD 3.5Å; F73-K76 VanDerWaalsContact O-CE 3.27Å; F73-K76 WeakPolarHBondContact O-CE 3.32Å; F73-K76 VanDerWaalsContact O-CG 3.25Å; F73-K76 WeakPolarHBondContact O-CG 3.42Å; R74-K76 PolarHBondContact O-N 3.15Å; R74-K76 VanDerWaalsContact O-N 3.11Å; K76-F80 PolarHBondContact O-N 2.91Å; K76-T281 HydrophobicContact CB-CG2 4.44Å; K76-E283 IonicContact NZ-OE2 2.77Å; K76-L286 HydrophobicContact CD-CD1 4.16Å |
| 77 | D | 87.1 | Confident | 88.8 | Confident | 82 Ų | 82 | 60.3 Ų | 60.3 | 44% | 0.439 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -88.1 | -30.9 | -177.4 | -57 | -46 | 0 | 0 | 0 | 111.1 | R74 L75 L81 | R74-D77 PolarHBondContact O-N 3.5Å; L75-D77 VanDerWaalsContact C-N 3.29Å; L75-D77 PolarHBondContact O-N 3.23Å; D77-L81 VanDerWaalsContact O-CD1 3.26Å; D77-L81 WeakPolarHBondContact O-CD1 3.3Å |
| 78 | E | 86.9 | Confident | 88.4 | Confident | 49 Ų | 49 | 59.1 Ų | 59.1 | 23% | 0.229 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -80.9 | -27.1 | -178.1 | -68.2 | -175.2 | -159.7 | 0 | 0 | 113.5 | R74 L75 F82 T95 R98 | R74-E78 IonicContact NH1-OE1 2.81Å; R74-E78 PolarHBondContact O-N 3.44Å; L75-E78 PolarHBondContact O-N 3.02Å; E78-F82 WeakPolarHBondContact O-CE2 3.08Å; E78-T95 VanDerWaalsContact OE2-CG2 3.3Å; E78-T95 WeakPolarHBondContact OE2-CG2 3.3Å; E78-T95 PolarHBondContact OE2-OG1 3Å; E78-R98 VanDerWaalsContact CD-NH2 3.32Å; E78-R98 IonicContact OE1-NH2 3.57Å; E78-R98 PolarHBondContact OE1-NH2 2.77Å; E78-R98 VanDerWaalsContact OE1-NH2 3.09Å; E78-R98 IonicContact OE2-CZ 3.26Å; E78-R98 IonicContact OE2-NH1 3.32Å; E78-R98 IonicContact OE2-NH2 3.56Å; E78-R98 PolarHBondContact OE2-NH2 3.32Å |
| 79 | I | 84.2 | Confident | 88.1 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.4 | -50.1 | -170.1 | -59.6 | 165.8 | 0 | 0 | 0 | 112.1 | L75 L81 F82 L92 F169 | L75-I79 HydrophobicContact CB-CD1 4.2Å; L75-I79 HydrophobicContact CD2-CD1 3.41Å; L75-I79 VanDerWaalsContact CD2-CD1 3.41Å; L75-I79 HydrophobicContact CD2-CG1 4.49Å; L75-I79 HydrophobicContact CG-CD1 4.33Å; L75-I79 WeakPolarHBondContact O-CB 3.36Å; L75-I79 PolarHBondContact O-N 3.02Å; I79-L81 PolarHBondContact O-N 3.24Å; I79-F82 PolarHBondContact O-N 2.95Å; I79-L92 HydrophobicContact CD1-CB 4Å; I79-L92 HydrophobicContact CD1-CD1 3.56Å; I79-L92 HydrophobicContact CD1-CG 4.39Å; I79-L92 HydrophobicContact CG1-CB 4.28Å; I79-L92 HydrophobicContact CG2-CB 4.2Å; I79-F169 HydrophobicContact CG2-CE1 3.59Å; I79-F169 HydrophobicContact CG2-CZ 3.65Å |
| 80 | F | 80.6 | Confident | 87.9 | Confident | 39 Ų | 39 | 62.3 Ų | 62.3 | 17% | 0.171 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | 0.8 | -168.2 | -61 | -54 | 0 | 0 | 0 | 114.5 | M19 K76 F169 D279 T281 | M19-F80 HydrophobicContact CG-CD2 3.76Å; M19-F80 HydrophobicContact CG-CE2 3.43Å; M19-F80 VanDerWaalsContact CG-CE2 3.43Å; M19-F80 HydrophobicContact CG-CZ 4.42Å; M19-F80 HydrophobicContact SD-CD2 3.88Å; M19-F80 HydrophobicContact SD-CE2 3.51Å; M19-F80 VanDerWaalsContact SD-CE2 3.51Å; K76-F80 PolarHBondContact O-N 2.91Å; F80-F169 HydrophobicContact CE1-CE2 4.47Å; F80-F169 AromaticContact CE1-CZ 3.89Å; F80-F169 HydrophobicContact CE1-CZ 3.89Å; F80-D279 HydrophobicContact CD1-CB 3.75Å; F80-D279 HydrophobicContact CE1-CB 4.09Å; F80-D279 HydrophobicContact CG-CB 4.02Å; F80-T281 HydrophobicContact CB-CG2 3.95Å |
| 81 | L | 79.3 | Confident | 87.8 | Confident | 113 Ų | 113 | 55.7 Ų | 55.7 | 59% | 0.592 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -20.3 | 169.4 | -61.2 | -174.8 | 0 | 0 | 0 | 113 | D77 I79 T281 | D77-L81 VanDerWaalsContact O-CD1 3.26Å; D77-L81 WeakPolarHBondContact O-CD1 3.3Å; I79-L81 PolarHBondContact O-N 3.24Å; L81-T281 HydrophobicContact CD2-CG2 4.49Å |
| 82 | F | 80.7 | Confident | 87.7 | Confident | 102 Ų | 102 | 56.2 Ų | 56.2 | 45% | 0.447 | 28% | 0.283 | S | S | . | . | trans | -79 | 124.4 | 177.4 | -65.7 | -77.2 | 0 | 0 | 0 | 110.8 | E78 I79 A87 A88 A91 | E78-F82 WeakPolarHBondContact O-CE2 3.08Å; I79-F82 PolarHBondContact O-N 2.95Å; F82-A87 HydrophobicContact CB-CB 4.36Å; F82-A87 HydrophobicContact CD1-CB 3.84Å; F82-A87 HydrophobicContact CE1-CB 4.5Å; F82-A87 HydrophobicContact CG-CB 4.27Å; F82-A88 HydrophobicContact CB-CB 3.77Å; F82-A91 HydrophobicContact CD2-CB 3.83Å; F82-A91 HydrophobicContact CE2-CB 3.53Å; F82-A91 HydrophobicContact CZ-CB 4.37Å | ||
| 83 | K | 78.7 | Confident | 87.7 | Confident | 216 Ų | 216 | 60.2 Ų | 60.2 | 94% | 0.939 | 30% | 0.3 | S | S | * | . | trans | -84.1 | -25.9 | 175.7 | -65.7 | -175.4 | 179.3 | 179.7 | 0 | 113.1 | ||||
| 84 | D | 86.9 | Confident | 87.8 | Confident | 93 Ų | 93 | 64.8 Ų | 64.8 | 50% | 0.497 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -84.9 | 133.4 | 178.8 | 175.2 | 68.2 | 0 | 0 | 0 | 110.4 | E86 A87 A88 | D84-E86 VanDerWaalsContact C-N 3.33Å; D84-E86 PolarHBondContact O-N 3.37Å; D84-E86 WeakPolarHBondContact OD2-CB 3.11Å; D84-E86 PolarHBondContact OD2-N 2.82Å; D84-E86 VanDerWaalsContact OD2-N 3.1Å; D84-A87 HydrophobicContact CB-CB 4.1Å; D84-A87 PolarHBondContact OD2-N 2.81Å; D84-A88 VanDerWaalsContact O-CB 3.27Å; D84-A88 WeakPolarHBondContact O-CB 3.45Å; D84-A88 PolarHBondContact O-N 2.76Å |
| 85 | A | 85.6 | Confident | 87.9 | Confident | 37 Ų | 37 | 60.8 Ų | 60.8 | 31% | 0.306 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -70.9 | -28.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | G89 R168 | A85-G89 PolarHBondContact O-N 2.82Å; A85-R168 VanDerWaalsContact CA-O 3.28Å; A85-R168 WeakPolarHBondContact CA-O 3.31Å; A85-R168 WeakPolarHBondContact CB-O 3.19Å |
| 86 | E | 87.4 | Confident | 88.1 | Confident | 129 Ų | 129 | 60.3 Ų | 60.3 | 60% | 0.603 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -75.3 | -46.7 | 177.2 | -172.8 | 175.6 | 176.6 | 0 | 0 | 110.2 | D84 A88 G89 N90 | D84-E86 VanDerWaalsContact C-N 3.33Å; D84-E86 PolarHBondContact O-N 3.37Å; D84-E86 WeakPolarHBondContact OD2-CB 3.11Å; D84-E86 PolarHBondContact OD2-N 2.82Å; D84-E86 VanDerWaalsContact OD2-N 3.1Å; E86-A88 PolarHBondContact O-N 2.92Å; E86-G89 PolarHBondContact O-N 3.48Å; E86-N90 WeakPolarHBondContact O-CB 3.09Å; E86-N90 VanDerWaalsContact O-CG 3.32Å; E86-N90 PolarHBondContact O-N 2.98Å; E86-N90 PolarHBondContact O-ND2 3.15Å |
| 87 | A | 89.9 | Confident | 88.5 | Confident | 33 Ų | 33 | 62.7 Ų | 62.7 | 27% | 0.273 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.9 | -45.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F82 D84 G89 N90 A91 | F82-A87 HydrophobicContact CB-CB 4.36Å; F82-A87 HydrophobicContact CD1-CB 3.84Å; F82-A87 HydrophobicContact CE1-CB 4.5Å; F82-A87 HydrophobicContact CG-CB 4.27Å; D84-A87 HydrophobicContact CB-CB 4.1Å; D84-A87 PolarHBondContact OD2-N 2.81Å; A87-G89 VanDerWaalsContact C-N 3.33Å; A87-G89 PolarHBondContact O-N 2.95Å; A87-N90 PolarHBondContact O-N 3.42Å; A87-A91 WeakPolarHBondContact O-CB 3.36Å; A87-A91 PolarHBondContact O-N 3.01Å |
| 88 | A | 89.2 | Confident | 88.9 | Confident | 5 Ų | 5 | 65.4 Ų | 65.4 | 4% | 0.041 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.7 | -40.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F82 D84 E86 A91 L92 F169 | F82-A88 HydrophobicContact CB-CB 3.77Å; D84-A88 VanDerWaalsContact O-CB 3.27Å; D84-A88 WeakPolarHBondContact O-CB 3.45Å; D84-A88 PolarHBondContact O-N 2.76Å; E86-A88 PolarHBondContact O-N 2.92Å; A88-A91 PolarHBondContact O-N 3.31Å; A88-L92 WeakPolarHBondContact O-CB 3.46Å; A88-L92 PolarHBondContact O-N 3.14Å; A88-F169 HydrophobicContact CB-CD1 3.91Å; A88-F169 HydrophobicContact CB-CE1 3.72Å |
| 89 | G | 91.3 | Very high | 89.4 | Confident | 13 Ų | 13 | 64.8 Ų | 64.8 | 13% | 0.134 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.4 | -40.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A85 E86 A87 L92 K93 | A85-G89 PolarHBondContact O-N 2.82Å; E86-G89 PolarHBondContact O-N 3.48Å; A87-G89 VanDerWaalsContact C-N 3.33Å; A87-G89 PolarHBondContact O-N 2.95Å; G89-L92 PolarHBondContact O-N 2.95Å; G89-K93 WeakPolarHBondContact O-CB 3.26Å; G89-K93 PolarHBondContact O-N 3.19Å |
| 90 | N | 92.4 | Very high | 90 | Very high | 80 Ų | 80 | 64.9 Ų | 64.9 | 43% | 0.428 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.2 | -44.6 | 175 | -72.3 | -26.8 | 0 | 0 | 0 | 111.3 | E86 A87 L92 K93 E94 | E86-N90 WeakPolarHBondContact O-CB 3.09Å; E86-N90 VanDerWaalsContact O-CG 3.32Å; E86-N90 PolarHBondContact O-N 2.98Å; E86-N90 PolarHBondContact O-ND2 3.15Å; A87-N90 PolarHBondContact O-N 3.42Å; N90-L92 PolarHBondContact O-N 3.42Å; N90-K93 PolarHBondContact O-N 3.33Å; N90-E94 WeakPolarHBondContact O-CG 3.47Å; N90-E94 PolarHBondContact O-N 3.18Å |
| 91 | A | 93.1 | Very high | 90.6 | Very high | 12 Ų | 12 | 64.4 Ų | 64.4 | 10% | 0.099 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.5 | -46.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F82 A87 A88 K93 E94 T95 | F82-A91 HydrophobicContact CD2-CB 3.83Å; F82-A91 HydrophobicContact CE2-CB 3.53Å; F82-A91 HydrophobicContact CZ-CB 4.37Å; A87-A91 WeakPolarHBondContact O-CB 3.36Å; A87-A91 PolarHBondContact O-N 3.01Å; A88-A91 PolarHBondContact O-N 3.31Å; A91-K93 VanDerWaalsContact C-N 3.33Å; A91-K93 PolarHBondContact O-N 3.42Å; A91-E94 PolarHBondContact O-N 3.39Å; A91-T95 PolarHBondContact O-N 2.86Å; A91-T95 PolarHBondContact O-OG1 2.93Å |
| 92 | L | 92.3 | Very high | 91.3 | Very high | 12 Ų | 12 | 66.2 Ų | 66.2 | 6% | 0.063 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -56.6 | -47.3 | 174 | 170.7 | 66.7 | 0 | 0 | 0 | 111.4 | I79 A88 G89 N90 T95 L96 F169 | I79-L92 HydrophobicContact CD1-CB 4Å; I79-L92 HydrophobicContact CD1-CD1 3.56Å; I79-L92 HydrophobicContact CD1-CG 4.39Å; I79-L92 HydrophobicContact CG1-CB 4.28Å; I79-L92 HydrophobicContact CG2-CB 4.2Å; A88-L92 WeakPolarHBondContact O-CB 3.46Å; A88-L92 PolarHBondContact O-N 3.14Å; G89-L92 PolarHBondContact O-N 2.95Å; N90-L92 PolarHBondContact O-N 3.42Å; L92-T95 PolarHBondContact O-N 3.35Å; L92-L96 HydrophobicContact CD1-CD1 3.71Å; L92-L96 HydrophobicContact CD1-CG 3.98Å; L92-L96 HydrophobicContact CG-CD1 4.1Å; L92-L96 WeakPolarHBondContact O-CB 3.26Å; L92-L96 WeakPolarHBondContact O-CG 3.3Å; L92-L96 PolarHBondContact O-N 3.5Å; L92-F169 HydrophobicContact CB-CE1 4.26Å; L92-F169 HydrophobicContact CD2-CD1 4.24Å; L92-F169 HydrophobicContact CD2-CD2 4.16Å; L92-F169 HydrophobicContact CD2-CE1 4.09Å; L92-F169 HydrophobicContact CD2-CE2 4.03Å; L92-F169 HydrophobicContact CD2-CG 4.25Å; L92-F169 HydrophobicContact CD2-CZ 3.99Å |
| 93 | K | 94.1 | Very high | 92 | Very high | 86 Ų | 86 | 62.5 Ų | 62.5 | 37% | 0.374 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.9 | -46.1 | 179.2 | 178.8 | 178.1 | 173.6 | -179.5 | 0 | 111.8 | G89 N90 A91 L96 I97 W156 V160 | G89-K93 WeakPolarHBondContact O-CB 3.26Å; G89-K93 PolarHBondContact O-N 3.19Å; N90-K93 PolarHBondContact O-N 3.33Å; A91-K93 VanDerWaalsContact C-N 3.33Å; A91-K93 PolarHBondContact O-N 3.42Å; K93-L96 PolarHBondContact O-N 3.37Å; K93-I97 HydrophobicContact CG-CD1 3.78Å; K93-I97 HydrophobicContact CG-CG1 4.45Å; K93-I97 WeakPolarHBondContact O-CB 3.3Å; K93-I97 VanDerWaalsContact O-CG1 3.26Å; K93-I97 WeakPolarHBondContact O-CG1 3.43Å; K93-I97 PolarHBondContact O-N 3.25Å; K93-W156 HydrophobicContact CD-CZ3 4.15Å; K93-W156 HydrophobicContact CG-CE3 4.35Å; K93-W156 HydrophobicContact CG-CZ3 4.08Å; K93-V160 HydrophobicContact CB-CG1 4.41Å; K93-V160 HydrophobicContact CB-CG2 4.25Å; K93-V160 HydrophobicContact CG-CG2 4.32Å |
| 94 | E | 94.5 | Very high | 92.9 | Very high | 139 Ų | 139 | 53.7 Ų | 53.7 | 65% | 0.65 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -61.5 | -45.4 | 177.8 | -74.7 | 176.5 | -173.1 | 0 | 0 | 111.7 | N90 A91 I97 R98 | N90-E94 WeakPolarHBondContact O-CG 3.47Å; N90-E94 PolarHBondContact O-N 3.18Å; A91-E94 PolarHBondContact O-N 3.39Å; E94-I97 PolarHBondContact O-N 3.11Å; E94-R98 WeakPolarHBondContact O-CB 3.27Å; E94-R98 PolarHBondContact O-N 3.36Å |
| 95 | T | 94.1 | Very high | 93.4 | Very high | 7 Ų | 7 | 49.2 Ų | 49.2 | 4% | 0.043 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.9 | -46.1 | 175.7 | -62.6 | 0 | 0 | 0 | 0 | 111.1 | L71 L75 E78 A91 L92 I97 R98 E99 | L71-T95 HydrophobicContact CD1-CG2 4.22Å; L75-T95 HydrophobicContact CD2-CG2 3.61Å; E78-T95 VanDerWaalsContact OE2-CG2 3.3Å; E78-T95 WeakPolarHBondContact OE2-CG2 3.3Å; E78-T95 PolarHBondContact OE2-OG1 3Å; A91-T95 PolarHBondContact O-N 2.86Å; A91-T95 PolarHBondContact O-OG1 2.93Å; L92-T95 PolarHBondContact O-N 3.35Å; T95-I97 PolarHBondContact O-N 2.85Å; T95-R98 WeakPolarHBondContact O-CB 3.42Å; T95-R98 PolarHBondContact O-N 3.27Å; T95-E99 HydrophobicContact CG2-CG 4.16Å; T95-E99 VanDerWaalsContact O-CG 3.24Å; T95-E99 WeakPolarHBondContact O-CG 3.29Å; T95-E99 PolarHBondContact O-N 2.59Å |
| 96 | L | 94.9 | Very high | 94 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.6 | -36.6 | 179.9 | -70.6 | -178.5 | 0 | 0 | 0 | 113.2 | V54 L92 K93 R98 E99 L100 A159 V160 | V54-L96 HydrophobicContact CG1-CD2 3.84Å; V54-L96 HydrophobicContact CG2-CD1 4.41Å; V54-L96 HydrophobicContact CG2-CD2 3.82Å; L92-L96 HydrophobicContact CD1-CD1 3.71Å; L92-L96 HydrophobicContact CD1-CG 3.98Å; L92-L96 HydrophobicContact CG-CD1 4.1Å; L92-L96 WeakPolarHBondContact O-CB 3.26Å; L92-L96 WeakPolarHBondContact O-CG 3.3Å; L92-L96 PolarHBondContact O-N 3.5Å; K93-L96 PolarHBondContact O-N 3.37Å; L96-R98 VanDerWaalsContact C-N 3.32Å; L96-R98 PolarHBondContact O-N 2.65Å; L96-E99 PolarHBondContact O-N 2.89Å; L96-L100 HydrophobicContact CB-CD1 4.39Å; L96-L100 HydrophobicContact CD2-CD1 4.31Å; L96-L100 VanDerWaalsContact O-CB 3.22Å; L96-L100 WeakPolarHBondContact O-CB 3.34Å; L96-L100 VanDerWaalsContact O-CG 3.29Å; L96-L100 WeakPolarHBondContact O-CG 3.39Å; L96-L100 PolarHBondContact O-N 3.36Å; L96-A159 HydrophobicContact CD1-CB 3.97Å; L96-V160 HydrophobicContact CB-CG2 3.95Å; L96-V160 HydrophobicContact CD1-CB 4.33Å; L96-V160 HydrophobicContact CD1-CG2 3.54Å; L96-V160 HydrophobicContact CG-CG2 4.34Å |
| 97 | I | 96.1 | Very high | 94.4 | Very high | 65 Ų | 65 | 46.5 Ų | 46.5 | 33% | 0.333 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 171.7 | -71.5 | 167.5 | 0 | 0 | 0 | 110.3 | K93 E94 T95 G101 W156 | K93-I97 HydrophobicContact CG-CD1 3.78Å; K93-I97 HydrophobicContact CG-CG1 4.45Å; K93-I97 WeakPolarHBondContact O-CB 3.3Å; K93-I97 VanDerWaalsContact O-CG1 3.26Å; K93-I97 WeakPolarHBondContact O-CG1 3.43Å; K93-I97 PolarHBondContact O-N 3.25Å; E94-I97 PolarHBondContact O-N 3.11Å; T95-I97 PolarHBondContact O-N 2.85Å; I97-G101 VanDerWaalsContact O-CA 3.29Å; I97-G101 WeakPolarHBondContact O-CA 3.11Å; I97-G101 PolarHBondContact O-N 2.76Å; I97-W156 HydrophobicContact CD1-CD2 4.1Å; I97-W156 HydrophobicContact CD1-CE3 4.09Å; I97-W156 HydrophobicContact CD1-CZ3 4.38Å; I97-W156 HydrophobicContact CG1-CB 4.01Å; I97-W156 HydrophobicContact CG1-CD2 3.54Å; I97-W156 HydrophobicContact CG1-CE3 3.79Å; I97-W156 HydrophobicContact CG1-CG 3.65Å |
| 98 | R | 95.7 | Very high | 94.8 | Very high | 139 Ų | 139 | 45.3 Ų | 45.3 | 53% | 0.525 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.8 | -41.6 | -180 | -174.1 | -177.6 | 68.8 | -149.1 | -3.6 | 112.7 | E78 E94 T95 L96 | E78-R98 VanDerWaalsContact CD-NH2 3.32Å; E78-R98 IonicContact OE1-NH2 3.57Å; E78-R98 PolarHBondContact OE1-NH2 2.77Å; E78-R98 VanDerWaalsContact OE1-NH2 3.09Å; E78-R98 IonicContact OE2-CZ 3.26Å; E78-R98 IonicContact OE2-NH1 3.32Å; E78-R98 IonicContact OE2-NH2 3.56Å; E78-R98 PolarHBondContact OE2-NH2 3.32Å; E94-R98 WeakPolarHBondContact O-CB 3.27Å; E94-R98 PolarHBondContact O-N 3.36Å; T95-R98 WeakPolarHBondContact O-CB 3.42Å; T95-R98 PolarHBondContact O-N 3.27Å; L96-R98 VanDerWaalsContact C-N 3.32Å; L96-R98 PolarHBondContact O-N 2.65Å |
| 99 | E | 95.6 | Very high | 94.9 | Very high | 36 Ų | 36 | 50.3 Ų | 50.3 | 17% | 0.168 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -85.2 | -30.4 | -174.4 | -57 | -70.7 | 148.5 | 0 | 0 | 113 | L71 R74 T95 L96 | L71-E99 HydrophobicContact CD1-CG 3.71Å; L71-E99 HydrophobicContact CD2-CB 4.19Å; L71-E99 HydrophobicContact CD2-CG 4.01Å; R74-E99 IonicContact CZ-OE1 3.87Å; R74-E99 IonicContact NH1-OE1 3.68Å; R74-E99 PolarHBondContact NH1-OE1 2.92Å; R74-E99 VanDerWaalsContact NH1-OE1 3.1Å; R74-E99 IonicContact NH2-OE1 3.62Å; R74-E99 PolarHBondContact NH2-OE1 3.13Å; R74-E99 IonicContact NH2-OE2 3.1Å; R74-E99 PolarHBondContact NH2-OE2 2.83Å; T95-E99 HydrophobicContact CG2-CG 4.16Å; T95-E99 VanDerWaalsContact O-CG 3.24Å; T95-E99 WeakPolarHBondContact O-CG 3.29Å; T95-E99 PolarHBondContact O-N 2.59Å; L96-E99 PolarHBondContact O-N 2.89Å |
| 100 | L | 96.7 | Very high | 95 | Very high | 5 Ų | 5 | 57.3 Ų | 57.3 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -99.8 | -18.9 | -177.5 | -54.5 | 178.6 | 0 | 0 | 0 | 113.5 | I57 L58 Q61 L96 W156 A159 | I57-L100 HydrophobicContact CB-CD2 4.35Å; I57-L100 HydrophobicContact CD1-CD1 4.39Å; I57-L100 HydrophobicContact CG2-CD1 4.41Å; I57-L100 HydrophobicContact CG2-CD2 3.8Å; L58-L100 HydrophobicContact CD2-CD2 3.5Å; L58-L100 HydrophobicContact CG-CD2 3.67Å; Q61-L100 PolarHBondContact NE2-O 3.39Å; L96-L100 HydrophobicContact CB-CD1 4.39Å; L96-L100 HydrophobicContact CD2-CD1 4.31Å; L96-L100 VanDerWaalsContact O-CB 3.22Å; L96-L100 WeakPolarHBondContact O-CB 3.34Å; L96-L100 VanDerWaalsContact O-CG 3.29Å; L96-L100 WeakPolarHBondContact O-CG 3.39Å; L96-L100 PolarHBondContact O-N 3.36Å; L100-W156 HydrophobicContact CB-CB 4.44Å; L100-W156 HydrophobicContact CD1-CB 4.49Å; L100-A159 HydrophobicContact CD1-CB 3.44Å; L100-A159 VanDerWaalsContact CD1-CB 3.44Å |
| 101 | G | 95 | Very high | 95.1 | Very high | 29 Ų | 29 | 54 Ų | 54 | 30% | 0.299 | 30% | 0.3 | S | S | . | . | trans | 73.8 | -167 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | I97 | I97-G101 VanDerWaalsContact O-CA 3.29Å; I97-G101 WeakPolarHBondContact O-CA 3.11Å; I97-G101 PolarHBondContact O-N 2.76Å | ||
| 102 | D | 93.2 | Very high | 95.4 | Very high | 151 Ų | 151 | 56.8 Ų | 56.8 | 81% | 0.807 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -99.2 | 5.8 | -176.8 | 63.2 | -18.8 | 0 | 0 | 0 | 113.8 | ||
| 103 | G | 95.6 | Very high | 95.7 | Very high | 23 Ų | 23 | 56.2 Ų | 56.2 | 24% | 0.237 | 30% | 0.304 | C | S | . | . | trans | -56.9 | 145.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | S154 L155 | G103-S154 WeakPolarHBondContact O-CA 3.49Å; G103-L155 WeakPolarHBondContact O-CG 3.24Å; G103-L155 PolarHBondContact O-N 3.05Å | ||
| 104 | S | 97.6 | Very high | 95.9 | Very high | 31 Ų | 31 | 52.1 Ų | 52.1 | 22% | 0.217 | 29% | 0.287 | C | S | . | . | B | Isolated β-bridge | trans | -81.6 | 162.7 | 171.8 | 67.1 | 0 | 0 | 0 | 0 | 111.3 | A106 S107 P150 L153 | S104-A106 PolarHBondContact O-N 3.46Å; S104-A106 VanDerWaalsContact O-N 3.17Å; S104-S107 WeakPolarHBondContact O-CB 3.28Å; S104-S107 PolarHBondContact O-N 2.87Å; S104-S107 PolarHBondContact O-OG 3.5Å; S104-P150 WeakPolarHBondContact CB-O 3.46Å; S104-L153 CarbonylContact C-O 3.26Å; S104-L153 VanDerWaalsContact CA-O 3.3Å; S104-L153 WeakPolarHBondContact CA-O 3.44Å |
| 105 | M | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -55.1 | -32.8 | 172.8 | -69 | -75.8 | -64.6 | 0 | 0 | 111.4 | S107 I108 L113 I115 F130 R131 N132 P150 L153 L155 A158 | M105-S107 PolarHBondContact O-N 3.01Å; M105-I108 PolarHBondContact O-N 2.9Å; M105-L113 HydrophobicContact CE-CD2 3.91Å; M105-L113 HydrophobicContact CE-CG 4.18Å; M105-L113 HydrophobicContact SD-CD2 4.37Å; M105-I115 HydrophobicContact CE-CG1 4.49Å; M105-F130 HydrophobicContact CE-CB 4.49Å; M105-R131 VanDerWaalsContact CE-C 3.44Å; M105-N132 HydrophobicContact CB-CB 4.28Å; M105-N132 HydrophobicContact CE-CB 4.33Å; M105-N132 WeakPolarHBondContact O-CB 3.26Å; M105-P150 HydrophobicContact CB-CB 4.2Å; M105-P150 PolarHBondContact N-O 3.4Å; M105-L153 HydrophobicContact CG-CB 4.01Å; M105-L153 HydrophobicContact CG-CD2 3.78Å; M105-L153 HydrophobicContact CG-CG 3.73Å; M105-L153 WeakPolarHBondContact CG-O 3.16Å; M105-L153 PolarHBondContact N-O 2.9Å; M105-L155 HydrophobicContact CG-CD2 4.35Å; M105-L155 HydrophobicContact SD-CD2 3.67Å; M105-A158 HydrophobicContact SD-CB 3.98Å |
| 106 | A | 97.2 | Very high | 96.3 | Very high | 36 Ų | 36 | 45.2 Ų | 45.2 | 30% | 0.298 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -63 | -17.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | S104 I108 P150 N151 | S104-A106 PolarHBondContact O-N 3.46Å; S104-A106 VanDerWaalsContact O-N 3.17Å; A106-I108 PolarHBondContact O-N 3.5Å; A106-P150 HydrophobicContact CB-CB 3.85Å; A106-P150 PolarHBondContact N-O 2.76Å; A106-N151 WeakPolarHBondContact CB-OD1 3.3Å |
| 107 | S | 97.1 | Very high | 96.4 | Very high | 73 Ų | 73 | 45.1 Ų | 45.1 | 51% | 0.51 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -69.5 | -16 | 176.4 | 77.6 | 0 | 0 | 0 | 0 | 112.7 | S104 M105 | S104-S107 WeakPolarHBondContact O-CB 3.28Å; S104-S107 PolarHBondContact O-N 2.87Å; S104-S107 PolarHBondContact O-OG 3.5Å; M105-S107 PolarHBondContact O-N 3.01Å |
| 108 | I | 96.8 | Very high | 96.4 | Very high | 7 Ų | 7 | 42 Ų | 42 | 4% | 0.036 | 24% | 0.237 | C | C | . | . | trans | -95.5 | 106.5 | 172.5 | -60.4 | 168.9 | 0 | 0 | 0 | 107.1 | C60 M105 A106 L113 N132 L155 | C60-I108 HydrophobicContact CB-CB 4.49Å; C60-I108 HydrophobicContact CB-CD1 3.55Å; C60-I108 HydrophobicContact CB-CG1 3.95Å; C60-I108 HydrophobicContact CB-CG2 3.72Å; M105-I108 PolarHBondContact O-N 2.9Å; A106-I108 PolarHBondContact O-N 3.5Å; I108-L113 HydrophobicContact CD1-CD2 3.53Å; I108-N132 PolarHBondContact O-ND2 3.42Å; I108-L155 HydrophobicContact CD1-CD1 4.36Å; I108-L155 HydrophobicContact CD1-CD2 3.54Å; I108-L155 HydrophobicContact CG1-CD2 4.34Å | ||
| 109 | S | 92.4 | Very high | 96.4 | Very high | 110 Ų | 110 | 36.2 Ų | 36.2 | 77% | 0.769 | 22% | 0.217 | S | C | * | . | trans | -79.9 | -39.6 | 176.5 | 56.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 110 | E | 92.1 | Very high | 96.3 | Very high | 160 Ų | 160 | 36.7 Ų | 36.7 | 75% | 0.748 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -146.9 | 148.6 | -179.7 | -67.4 | 179.1 | 177.2 | 0 | 0 | 109 | ||
| 111 | P | 96.3 | Very high | 96.1 | Very high | 12 Ų | 12 | 40.6 Ų | 40.6 | 8% | 0.078 | 25% | 0.251 | C | S | . | . | S | Bend | cis | -69.7 | 178.4 | -10.1 | 29.6 | -36.7 | 0 | 0 | 0 | 113.5 | F40 F43 D44 I46 L113 N132 | F40-P111 HydrophobicContact CE1-CG 4.41Å; F40-P111 HydrophobicContact CZ-CG 3.97Å; F43-P111 WeakPolarHBondContact O-CB 3.46Å; D44-P111 VanDerWaalsContact O-CB 3.27Å; D44-P111 WeakPolarHBondContact O-CB 3.38Å; I46-P111 HydrophobicContact CB-CG 4.26Å; I46-P111 HydrophobicContact CG2-CB 4.23Å; I46-P111 HydrophobicContact CG2-CG 3.53Å; P111-L113 PolarHBondContact O-N 3.46Å; P111-N132 PolarHBondContact O-ND2 2.57Å |
| 112 | R | 97.6 | Very high | 95.7 | Very high | 70 Ų | 70 | 40.5 Ų | 40.5 | 26% | 0.264 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 112.8 | 167.7 | -75.4 | -179.8 | -177.6 | 153.9 | 2.5 | 109.3 | D44 W45 I46 Y133 | D44-R112 PolarHBondContact O-N 2.82Å; W45-R112 WeakPolarHBondContact CA-O 3.07Å; W45-R112 HydrophobicContact CD2-CB 3.74Å; W45-R112 HydrophobicContact CD2-CG 4.45Å; W45-R112 HydrophobicContact CE3-CB 3.83Å; W45-R112 HydrophobicContact CG-CB 4.18Å; W45-R112 HydrophobicContact CZ3-CB 4.32Å; I46-R112 WeakPolarHBondContact CG2-O 3.44Å; I46-R112 PolarHBondContact N-O 3.38Å; R112-Y133 HydrophobicContact CB-CD1 3.73Å; R112-Y133 HydrophobicContact CB-CE1 3.53Å; R112-Y133 HydrophobicContact CG-CD1 3.64Å; R112-Y133 HydrophobicContact CG-CE1 3.9Å; R112-Y133 HydrophobicContact CG-CG 4.32Å |
| 113 | L | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 130.5 | -174.9 | 176.7 | 65.9 | 0 | 0 | 0 | 111.5 | I46 A56 I57 M105 I108 P111 I115 R131 N132 | I46-L113 HydrophobicContact CG1-CD1 4.46Å; I46-L113 HydrophobicContact CG2-CB 4.05Å; I46-L113 HydrophobicContact CG2-CD1 3.61Å; I46-L113 HydrophobicContact CG2-CG 4.45Å; I46-L113 CarbonylContact O-C 3.59Å; I46-L113 WeakPolarHBondContact O-CA 3.38Å; A56-L113 HydrophobicContact CB-CD1 3.74Å; I57-L113 HydrophobicContact CG1-CD2 3.95Å; M105-L113 HydrophobicContact CE-CD2 3.91Å; M105-L113 HydrophobicContact CE-CG 4.18Å; M105-L113 HydrophobicContact SD-CD2 4.37Å; I108-L113 HydrophobicContact CD1-CD2 3.53Å; P111-L113 PolarHBondContact O-N 3.46Å; L113-I115 HydrophobicContact CD1-CD1 3.64Å; L113-I115 HydrophobicContact CD1-CG1 4.26Å; L113-I115 HydrophobicContact CD2-CD1 4.45Å; L113-I115 HydrophobicContact CD2-CG1 4.36Å; L113-I115 HydrophobicContact CG-CD1 4.11Å; L113-I115 HydrophobicContact CG-CG1 4.17Å; L113-R131 WeakPolarHBondContact O-CA 3.4Å; L113-N132 HydrophobicContact CB-CB 4.44Å; L113-N132 PolarHBondContact N-OD1 3.42Å; L113-N132 PolarHBondContact O-N 2.89Å; L113-N132 PolarHBondContact O-OD1 3.24Å |
| 114 | V | 98.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 114.8 | 176.9 | -177.5 | 0 | 0 | 0 | 0 | 110.1 | W45 I46 A47 G48 L129 F130 Y133 L190 E193 | W45-V114 HydrophobicContact CE3-CG2 4.47Å; W45-V114 HydrophobicContact CZ3-CG2 4.4Å; I46-V114 PolarHBondContact O-N 2.9Å; A47-V114 WeakPolarHBondContact CA-O 3.43Å; A47-V114 HydrophobicContact CB-CB 4.16Å; G48-V114 PolarHBondContact N-O 3.28Å; G48-V114 VanDerWaalsContact N-O 3.08Å; V114-L129 HydrophobicContact CG1-CB 4.2Å; V114-L129 HydrophobicContact CG1-CD1 4.12Å; V114-L129 HydrophobicContact CG1-CD2 3.86Å; V114-L129 HydrophobicContact CG1-CG 4.29Å; V114-F130 WeakPolarHBondContact CA-O 3.44Å; V114-Y133 HydrophobicContact CG2-CE1 4.35Å; V114-Y133 VanDerWaalsContact CG2-OH 3.26Å; V114-Y133 WeakPolarHBondContact CG2-OH 3.34Å; V114-L190 HydrophobicContact CB-CD1 4.41Å; V114-L190 HydrophobicContact CG2-CD1 4.06Å; V114-E193 HydrophobicContact CG2-CG 4.2Å |
| 115 | I | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 125.3 | 176.1 | -58.3 | -51.3 | 0 | 0 | 0 | 109.6 | A53 A56 I57 M105 L113 F130 A158 | A53-I115 HydrophobicContact CB-CD1 3.75Å; A53-I115 HydrophobicContact CB-CG1 4.46Å; A53-I115 HydrophobicContact CB-CG2 3.6Å; A56-I115 HydrophobicContact CB-CD1 4.14Å; I57-I115 HydrophobicContact CD1-CD1 4.4Å; I57-I115 HydrophobicContact CD1-CG1 4.28Å; I57-I115 HydrophobicContact CG1-CD1 4.19Å; I57-I115 HydrophobicContact CG1-CG1 4.35Å; M105-I115 HydrophobicContact CE-CG1 4.49Å; L113-I115 HydrophobicContact CD1-CD1 3.64Å; L113-I115 HydrophobicContact CD1-CG1 4.26Å; L113-I115 HydrophobicContact CD2-CD1 4.45Å; L113-I115 HydrophobicContact CD2-CG1 4.36Å; L113-I115 HydrophobicContact CG-CD1 4.11Å; L113-I115 HydrophobicContact CG-CG1 4.17Å; I115-F130 HydrophobicContact CB-CB 4.13Å; I115-F130 HydrophobicContact CG2-CD2 4.42Å; I115-F130 PolarHBondContact N-O 3.35Å; I115-F130 PolarHBondContact O-N 2.87Å; I115-A158 HydrophobicContact CG2-CB 4.39Å |
| 116 | T | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 136.6 | -177.9 | 68.7 | 0 | 0 | 0 | 0 | 111.5 | G48 T49 L127 L129 S162 P186 | G48-T116 PolarHBondContact O-N 2.9Å; G48-T116 VanDerWaalsContact O-N 3.15Å; T49-T116 VanDerWaalsContact CB-OG1 3.3Å; T49-T116 WeakPolarHBondContact CB-OG1 3.49Å; T49-T116 WeakPolarHBondContact CG2-OG1 3.37Å; T49-T116 PolarHBondContact OG1-OG1 3.44Å; T116-L127 HydrophobicContact CG2-CD1 4.45Å; T116-L129 HydrophobicContact CG2-CD2 3.7Å; T116-S162 WeakPolarHBondContact O-CB 3.29Å; T116-S162 PolarHBondContact O-OG 2.84Å; T116-P186 HydrophobicContact CG2-CB 3.65Å |
| 117 | T | 97.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 165 | 167.1 | -173.6 | 0 | 0 | 0 | 0 | 109.6 | K128 F130 C161 F176 I177 | T117-K128 HydrophobicContact CG2-CB 3.69Å; T117-K128 HydrophobicContact CG2-CG 3.88Å; T117-K128 PolarHBondContact N-O 3.25Å; T117-K128 PolarHBondContact O-N 3.18Å; T117-F130 HydrophobicContact CG2-CD2 4.03Å; T117-F130 HydrophobicContact CG2-CE2 3.36Å; T117-F130 HydrophobicContact CG2-CZ 3.76Å; T117-C161 HydrophobicContact CG2-CB 4.49Å; T117-C161 PolarHBondContact OG1-O 3.24Å; T117-F176 HydrophobicContact CG2-CD1 3.67Å; T117-F176 HydrophobicContact CG2-CE1 4.16Å; T117-F176 HydrophobicContact CG2-CG 4.25Å; T117-I177 PolarHBondContact OG1-O 3.02Å |
| 118 | C | 96 | Very high | 94.7 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 121.1 | 176.2 | 176.9 | 0 | 0 | 0 | 0 | 110 | A120 F176 I177 I182 | C118-A120 PolarHBondContact O-N 3.37Å; C118-F176 WeakPolarHBondContact O-CA 3.47Å; C118-I177 HydrophobicContact CB-CD1 4.39Å; C118-I177 HydrophobicContact CB-CG1 3.71Å; C118-I177 PolarHBondContact N-O 2.95Å; C118-I177 PolarHBondContact O-N 2.93Å; C118-I182 HydrophobicContact CB-CG2 3.86Å |
| 119 | D | 95.7 | Very high | 94.8 | Very high | 18 Ų | 18 | 55.7 Ų | 55.7 | 10% | 0.096 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 104.9 | 167.4 | -176.9 | -11.5 | 0 | 0 | 0 | 109.3 | T121 K126 K175 F176 | D119-T121 VanDerWaalsContact C-N 3.34Å; D119-T121 WeakPolarHBondContact OD1-CB 3.5Å; D119-T121 PolarHBondContact OD1-N 2.86Å; D119-T121 PolarHBondContact OD1-OG1 2.96Å; D119-K126 HydrophobicContact CB-CB 4.3Å; D119-K126 PolarHBondContact N-O 3.17Å; D119-K126 PolarHBondContact O-N 2.88Å; D119-K175 WeakPolarHBondContact OD1-CE 3.42Å; D119-K175 WeakPolarHBondContact OD2-CE 3.48Å; D119-K175 IonicContact OD2-NZ 3.02Å; D119-K175 PolarHBondContact OD2-NZ 3.16Å; D119-F176 HydrophobicContact CB-CD1 4.33Å; D119-F176 HydrophobicContact CB-CE1 4.14Å |
| 120 | A | 93.5 | Very high | 95 | Very high | 45 Ų | 45 | 50.5 Ų | 50.5 | 37% | 0.372 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 3.8 | -177 | 0 | 0 | 0 | 0 | 0 | 113.6 | C118 A122 K175 I177 | C118-A120 PolarHBondContact O-N 3.37Å; A120-A122 VanDerWaalsContact C-N 3.34Å; A120-K175 PolarHBondContact N-O 3.26Å; A120-I177 HydrophobicContact CB-CD1 3.79Å; A120-I177 HydrophobicContact CB-CG1 4.13Å; A120-I177 HydrophobicContact CB-CG2 4.41Å |
| 121 | T | 93.1 | Very high | 95.3 | Very high | 88 Ų | 88 | 43.9 Ų | 43.9 | 54% | 0.54 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -24.2 | 179.4 | 62.4 | 0 | 0 | 0 | 0 | 112.8 | D119 K175 | D119-T121 VanDerWaalsContact C-N 3.34Å; D119-T121 WeakPolarHBondContact OD1-CB 3.5Å; D119-T121 PolarHBondContact OD1-N 2.86Å; D119-T121 PolarHBondContact OD1-OG1 2.96Å; T121-K175 HydrophobicContact CG2-CB 3.79Å; T121-K175 HydrophobicContact CG2-CD 4.24Å; T121-K175 HydrophobicContact CG2-CG 3.62Å |
| 122 | A | 87.1 | Confident | 95.4 | Very high | 27 Ų | 27 | 44 Ų | 44 | 22% | 0.223 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -97.5 | 156.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A120 P124 A125 K126 | A120-A122 VanDerWaalsContact C-N 3.34Å; A122-P124 CarbonylContact C-O 3.59Å; A122-P124 VanDerWaalsContact C-O 3.26Å; A122-P124 WeakPolarHBondContact CB-O 3.46Å; A122-P124 CarbonylContact O-C 3.49Å; A122-A125 WeakPolarHBondContact O-CA 3.39Å; A122-A125 PolarHBondContact O-N 3.39Å; A122-K126 HydrophobicContact CB-CD 4.27Å; A122-K126 HydrophobicContact CB-CG 4.16Å |
| 123 | R | 89 | Confident | 95.3 | Very high | 250 Ų | 250 | 42 Ų | 42 | 94% | 0.943 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -128.5 | 113.1 | 168.3 | -63.9 | -170.4 | -173 | 122.8 | 3 | 109.2 | ||
| 124 | P | 89.3 | Confident | 95.1 | Very high | 117 Ų | 117 | 44.7 Ų | 44.7 | 76% | 0.76 | 23% | 0.229 | S | C | * | . | S | Bend | cis | -63.5 | 154.2 | -1.1 | 29.6 | -35.9 | 0 | 0 | 0 | 112.6 | A122 | A122-P124 CarbonylContact C-O 3.59Å; A122-P124 VanDerWaalsContact C-O 3.26Å; A122-P124 WeakPolarHBondContact CB-O 3.46Å; A122-P124 CarbonylContact O-C 3.49Å |
| 125 | A | 91.9 | Very high | 94.9 | Very high | 39 Ų | 39 | 45 Ų | 45 | 32% | 0.322 | 23% | 0.231 | S | C | . | . | trans | -61.8 | 152.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | A122 | A122-A125 WeakPolarHBondContact O-CA 3.39Å; A122-A125 PolarHBondContact O-N 3.39Å | ||
| 126 | K | 94.3 | Very high | 94.5 | Very high | 131 Ų | 131 | 48.2 Ų | 48.2 | 57% | 0.57 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 141 | -174.9 | -66.5 | -178 | 178.2 | -176.8 | 0 | 111.2 | D119 A122 K128 | D119-K126 HydrophobicContact CB-CB 4.3Å; D119-K126 PolarHBondContact N-O 3.17Å; D119-K126 PolarHBondContact O-N 2.88Å; A122-K126 HydrophobicContact CB-CD 4.27Å; A122-K126 HydrophobicContact CB-CG 4.16Å; K126-K128 PolarHBondContact O-N 3.5Å |
| 127 | L | 96 | Very high | 94.2 | Very high | 56 Ų | 56 | 49.8 Ų | 49.8 | 29% | 0.293 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 127 | 167.4 | 174.1 | 63.8 | 0 | 0 | 0 | 108.1 | T116 L129 I182 D189 | T116-L127 HydrophobicContact CG2-CD1 4.45Å; L127-L129 HydrophobicContact CD1-CD2 3.87Å; L127-L129 HydrophobicContact CD2-CD2 3.96Å; L127-L129 HydrophobicContact CD2-CG 4.31Å; L127-L129 HydrophobicContact CG-CD2 3.88Å; L127-L129 HydrophobicContact CG-CG 4.2Å; L127-I182 HydrophobicContact CB-CD1 4.03Å; L127-I182 HydrophobicContact CB-CG1 4.34Å; L127-I182 HydrophobicContact CB-CG2 4.33Å; L127-I182 HydrophobicContact CD1-CG2 3.89Å; L127-D189 HydrophobicContact CD2-CB 4.26Å; L127-D189 WeakPolarHBondContact CD2-OD1 2.79Å |
| 128 | K | 96.9 | Very high | 94 | Very high | 31 Ų | 31 | 52.4 Ų | 52.4 | 14% | 0.135 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 126.5 | 170.5 | 174.5 | 67.6 | 177.9 | 176.6 | 0 | 108.5 | T117 K126 F130 G146 E148 F176 | T117-K128 HydrophobicContact CG2-CB 3.69Å; T117-K128 HydrophobicContact CG2-CG 3.88Å; T117-K128 PolarHBondContact N-O 3.25Å; T117-K128 PolarHBondContact O-N 3.18Å; K126-K128 PolarHBondContact O-N 3.5Å; K128-F130 HydrophobicContact CG-CD1 4.34Å; K128-F130 HydrophobicContact CG-CE1 3.97Å; K128-F130 HydrophobicContact CG-CZ 4.24Å; K128-G146 PolarHBondContact NZ-O 2.99Å; K128-E148 WeakPolarHBondContact CE-OE2 3.43Å; K128-E148 IonicContact NZ-OE2 3.61Å; K128-E148 PolarHBondContact NZ-OE2 3.26Å; K128-F176 HydrophobicContact CB-CE1 4.02Å; K128-F176 HydrophobicContact CG-CE1 3.77Å; K128-F176 HydrophobicContact CG-CZ 4.3Å |
| 129 | L | 98 | Very high | 93.9 | Very high | 16 Ų | 16 | 58.1 Ų | 58.1 | 8% | 0.084 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 118.4 | 176.6 | -61.9 | -173.6 | 0 | 0 | 0 | 108.9 | V114 T116 L127 R131 | V114-L129 HydrophobicContact CG1-CB 4.2Å; V114-L129 HydrophobicContact CG1-CD1 4.12Å; V114-L129 HydrophobicContact CG1-CD2 3.86Å; V114-L129 HydrophobicContact CG1-CG 4.29Å; T116-L129 HydrophobicContact CG2-CD2 3.7Å; L127-L129 HydrophobicContact CD1-CD2 3.87Å; L127-L129 HydrophobicContact CD2-CD2 3.96Å; L127-L129 HydrophobicContact CD2-CG 4.31Å; L127-L129 HydrophobicContact CG-CD2 3.88Å; L127-L129 HydrophobicContact CG-CG 4.2Å; L129-R131 HydrophobicContact CB-CG 4.43Å; L129-R131 PolarHBondContact O-NH1 3.24Å |
| 130 | F | 98.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 65 Ų | 65 | 0% | 0.004 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 130.8 | 169.1 | -65.9 | -47.4 | 0 | 0 | 0 | 109.2 | M105 V114 I115 T117 K128 E148 L153 A158 C161 F176 | M105-F130 HydrophobicContact CE-CB 4.49Å; V114-F130 WeakPolarHBondContact CA-O 3.44Å; I115-F130 HydrophobicContact CB-CB 4.13Å; I115-F130 HydrophobicContact CG2-CD2 4.42Å; I115-F130 PolarHBondContact N-O 3.35Å; I115-F130 PolarHBondContact O-N 2.87Å; T117-F130 HydrophobicContact CG2-CD2 4.03Å; T117-F130 HydrophobicContact CG2-CE2 3.36Å; T117-F130 HydrophobicContact CG2-CZ 3.76Å; K128-F130 HydrophobicContact CG-CD1 4.34Å; K128-F130 HydrophobicContact CG-CE1 3.97Å; K128-F130 HydrophobicContact CG-CZ 4.24Å; F130-E148 WeakPolarHBondContact CD1-OE2 3.5Å; F130-E148 WeakPolarHBondContact CE1-OE2 3.48Å; F130-L153 HydrophobicContact CB-CD2 3.52Å; F130-L153 HydrophobicContact CD1-CD1 4.26Å; F130-L153 HydrophobicContact CD1-CD2 3.2Å; F130-L153 HydrophobicContact CD1-CG 4.39Å; F130-L153 HydrophobicContact CD2-CD2 4.43Å; F130-L153 HydrophobicContact CE1-CD1 4.24Å; F130-L153 HydrophobicContact CE1-CD2 3.98Å; F130-L153 HydrophobicContact CG-CD2 3.47Å; F130-L153 VanDerWaalsContact CG-CD2 3.47Å; F130-A158 HydrophobicContact CB-CB 4.16Å; F130-A158 HydrophobicContact CD2-CB 3.82Å; F130-A158 HydrophobicContact CG-CB 4.19Å; F130-C161 HydrophobicContact CE2-CB 3.68Å; F130-C161 HydrophobicContact CZ-CB 4.26Å; F130-F176 HydrophobicContact CE1-CZ 4.41Å; F130-F176 HydrophobicContact CZ-CD2 4.37Å; F130-F176 HydrophobicContact CZ-CE1 4.34Å; F130-F176 HydrophobicContact CZ-CE2 4.11Å; F130-F176 HydrophobicContact CZ-CZ 4.09Å |
| 131 | R | 98 | Very high | 93.8 | Very high | 21 Ų | 21 | 67.3 Ų | 67.3 | 8% | 0.079 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 148.7 | -168.8 | -57.2 | 170 | -176.5 | 100 | -19.8 | 110.7 | M105 L113 L129 Y133 G146 Y147 E193 | M105-R131 VanDerWaalsContact CE-C 3.44Å; L113-R131 WeakPolarHBondContact O-CA 3.4Å; L129-R131 HydrophobicContact CB-CG 4.43Å; L129-R131 PolarHBondContact O-NH1 3.24Å; R131-Y133 VanDerWaalsContact C-N 3.34Å; R131-Y133 HydrophobicContact CB-CE1 4.2Å; R131-Y133 HydrophobicContact CB-CE2 4.46Å; R131-G146 PolarHBondContact NH1-O 2.82Å; R131-Y147 VanDerWaalsContact CD-CD1 3.47Å; R131-E193 WeakPolarHBondContact CD-OE1 3.41Å; R131-E193 IonicContact CZ-OE1 3.1Å; R131-E193 IonicContact CZ-OE2 3.16Å; R131-E193 IonicContact NE-OE1 3.2Å; R131-E193 PolarHBondContact NE-OE1 3.32Å; R131-E193 IonicContact NE-OE2 2.77Å; R131-E193 PolarHBondContact NE-OE2 3.09Å; R131-E193 IonicContact NH2-OE1 2.77Å; R131-E193 IonicContact NH2-OE2 2.68Å; R131-E193 PolarHBondContact NH2-OE2 3.31Å |
| 132 | N | 97.6 | Very high | 93.9 | Very high | 15 Ų | 15 | 63.2 Ų | 63.2 | 8% | 0.08 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -88.7 | 2.4 | 172.6 | 66.8 | -31.2 | 0 | 0 | 0 | 113.9 | M105 I108 P111 L113 P150 | M105-N132 HydrophobicContact CB-CB 4.28Å; M105-N132 HydrophobicContact CE-CB 4.33Å; M105-N132 WeakPolarHBondContact O-CB 3.26Å; I108-N132 PolarHBondContact O-ND2 3.42Å; P111-N132 PolarHBondContact O-ND2 2.57Å; L113-N132 HydrophobicContact CB-CB 4.44Å; L113-N132 PolarHBondContact N-OD1 3.42Å; L113-N132 PolarHBondContact O-N 2.89Å; L113-N132 PolarHBondContact O-OD1 3.24Å; N132-P150 VanDerWaalsContact C-CG 3.46Å; N132-P150 WeakPolarHBondContact O-CG 3.33Å |
| 133 | Y | 96.1 | Very high | 94.2 | Very high | 27 Ų | 27 | 69.2 Ų | 69.2 | 11% | 0.106 | 34% | 0.339 | C | S | . | . | trans | -133.5 | 166 | -179.2 | 56.9 | -92 | 0 | 0 | 0 | 111.5 | W45 R112 V114 R131 Y147 E193 L197 | W45-Y133 HydrophobicContact CH2-CE2 4.38Å; W45-Y133 HydrophobicContact CZ3-CE1 4.26Å; W45-Y133 AromaticContact CZ3-CZ 3.73Å; W45-Y133 WeakPolarHBondContact CZ3-OH 3.35Å; R112-Y133 HydrophobicContact CB-CD1 3.73Å; R112-Y133 HydrophobicContact CB-CE1 3.53Å; R112-Y133 HydrophobicContact CG-CD1 3.64Å; R112-Y133 HydrophobicContact CG-CE1 3.9Å; R112-Y133 HydrophobicContact CG-CG 4.32Å; V114-Y133 HydrophobicContact CG2-CE1 4.35Å; V114-Y133 VanDerWaalsContact CG2-OH 3.26Å; V114-Y133 WeakPolarHBondContact CG2-OH 3.34Å; R131-Y133 VanDerWaalsContact C-N 3.34Å; R131-Y133 HydrophobicContact CB-CE1 4.2Å; R131-Y133 HydrophobicContact CB-CE2 4.46Å; Y133-Y147 HydrophobicContact CD2-CE1 4.39Å; Y133-Y147 HydrophobicContact CE2-CE1 4Å; Y133-E193 WeakPolarHBondContact OH-CG 2.78Å; Y133-E193 PolarHBondContact OH-OE1 3.29Å; Y133-L197 HydrophobicContact CD2-CD1 4.38Å; Y133-L197 HydrophobicContact CD2-CD2 3.89Å; Y133-L197 HydrophobicContact CE2-CD1 4.35Å; Y133-L197 HydrophobicContact CE2-CD2 3.73Å | ||
| 134 | R | 94.5 | Very high | 94.4 | Very high | 56 Ų | 56 | 64.7 Ų | 64.7 | 21% | 0.211 | 33% | 0.332 | C | S | . | . | trans | -130.8 | 149.2 | 166.7 | -62.1 | -179.2 | 89.6 | -175.8 | 6.9 | 109.5 | E139 Y147 H149 P150 | R134-E139 IonicContact CZ-OE1 3.25Å; R134-E139 IonicContact CZ-OE2 3.93Å; R134-E139 IonicContact NH1-OE1 2.95Å; R134-E139 PolarHBondContact NH1-OE1 3.4Å; R134-E139 IonicContact NH1-OE2 2.7Å; R134-E139 PolarHBondContact NH1-OE2 3.25Å; R134-E139 IonicContact NH2-OE2 3.21Å; R134-E139 PolarHBondContact NH2-OE2 3.28Å; R134-Y147 PolarHBondContact NH2-O 2.96Å; R134-H149 PolarHBondContact NH1-CD2 3Å; R134-P150 HydrophobicContact CG-CG 4.34Å | ||
| 135 | P | 93.1 | Very high | 94.6 | Very high | 6 Ų | 6 | 62.5 Ų | 62.5 | 4% | 0.039 | 31% | 0.314 | C | S | . | . | trans | -67.9 | 160.9 | 168.1 | 32.8 | -37.1 | 0 | 0 | 0 | 110.4 | L137 Y147 L197 L200 | P135-L137 HydrophobicContact CB-CD1 4.1Å; P135-L137 HydrophobicContact CB-CG 3.97Å; P135-L137 HydrophobicContact CG-CB 4.42Å; P135-L137 HydrophobicContact CG-CD1 3.65Å; P135-L137 HydrophobicContact CG-CG 3.88Å; P135-L137 PolarHBondContact O-N 2.82Å; P135-Y147 HydrophobicContact CG-CD2 4Å; P135-Y147 HydrophobicContact CG-CE1 4.45Å; P135-Y147 HydrophobicContact CG-CE2 3.9Å; P135-Y147 HydrophobicContact CG-CG 4.33Å; P135-L197 HydrophobicContact CB-CD1 3.76Å; P135-L200 HydrophobicContact CB-CB 4.24Å; P135-L200 HydrophobicContact CB-CD1 4.03Å; P135-L200 HydrophobicContact CG-CD1 4.12Å | ||
| 136 | P | 90.5 | Very high | 94.7 | Very high | 69 Ų | 69 | 61.7 Ų | 61.7 | 45% | 0.448 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -76.5 | 52.5 | 178.5 | 34.5 | -38.1 | 0 | 0 | 0 | 112.5 | N201 H204 | P136-N201 WeakPolarHBondContact CD-OD1 3.46Å; P136-H204 HydrophobicContact CG-CB 4.49Å; P136-H204 PolarHBondContact O-NE2 2.86Å |
| 137 | L | 91.7 | Very high | 94.8 | Very high | 32 Ų | 32 | 55.7 Ų | 55.7 | 17% | 0.168 | 28% | 0.284 | C | S | . | . | trans | -106.5 | 170.1 | -179 | -58.4 | 177.2 | 0 | 0 | 0 | 111.4 | P135 E141 L145 L200 | P135-L137 HydrophobicContact CB-CD1 4.1Å; P135-L137 HydrophobicContact CB-CG 3.97Å; P135-L137 HydrophobicContact CG-CB 4.42Å; P135-L137 HydrophobicContact CG-CD1 3.65Å; P135-L137 HydrophobicContact CG-CG 3.88Å; P135-L137 PolarHBondContact O-N 2.82Å; L137-E141 HydrophobicContact CB-CB 3.87Å; L137-E141 HydrophobicContact CD1-CB 4.14Å; L137-L145 HydrophobicContact CD1-CD1 3.58Å; L137-L200 HydrophobicContact CD1-CD1 4.1Å; L137-L200 HydrophobicContact CD1-CD2 4.02Å; L137-L200 HydrophobicContact CD1-CG 4.49Å | ||
| 138 | S | 93.2 | Very high | 94.7 | Very high | 56 Ų | 56 | 56.2 Ų | 56.2 | 39% | 0.392 | 28% | 0.284 | S | S | . | . | trans | -63.2 | 160.6 | 169.3 | 66.8 | 0 | 0 | 0 | 0 | 111.8 | E140 E141 C142 | S138-E140 VanDerWaalsContact C-N 3.29Å; S138-E140 PolarHBondContact O-N 3.09Å; S138-E141 VanDerWaalsContact CB-OE2 3.32Å; S138-E141 WeakPolarHBondContact CB-OE2 3.35Å; S138-E141 PolarHBondContact N-OE2 2.9Å; S138-E141 PolarHBondContact O-N 2.97Å; S138-E141 WeakPolarHBondContact OG-CB 3.35Å; S138-E141 VanDerWaalsContact OG-CD 3.26Å; S138-E141 VanDerWaalsContact OG-CG 3.24Å; S138-E141 WeakPolarHBondContact OG-CG 3.3Å; S138-E141 PolarHBondContact OG-N 2.62Å; S138-E141 PolarHBondContact OG-OE2 3.36Å; S138-C142 PolarHBondContact O-N 2.98Å; S138-C142 PolarHBondContact O-SG 3.01Å | ||
| 139 | E | 93.5 | Very high | 94.6 | Very high | 119 Ų | 119 | 57.9 Ų | 57.9 | 56% | 0.556 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -57.3 | -42.9 | 176.9 | -73.8 | -64.6 | 161 | 0 | 0 | 112 | R134 C142 E143 | R134-E139 IonicContact CZ-OE1 3.25Å; R134-E139 IonicContact CZ-OE2 3.93Å; R134-E139 IonicContact NH1-OE1 2.95Å; R134-E139 PolarHBondContact NH1-OE1 3.4Å; R134-E139 IonicContact NH1-OE2 2.7Å; R134-E139 PolarHBondContact NH1-OE2 3.25Å; R134-E139 IonicContact NH2-OE2 3.21Å; R134-E139 PolarHBondContact NH2-OE2 3.28Å; E139-C142 PolarHBondContact O-N 3.3Å; E139-E143 WeakPolarHBondContact O-CB 3.46Å; E139-E143 PolarHBondContact O-N 3.38Å |
| 140 | E | 94.2 | Very high | 94.5 | Very high | 164 Ų | 164 | 57.7 Ų | 57.7 | 77% | 0.766 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -63.1 | -42.5 | 179.2 | -64.6 | 179.3 | -177 | 0 | 0 | 112 | S138 E143 L144 | S138-E140 VanDerWaalsContact C-N 3.29Å; S138-E140 PolarHBondContact O-N 3.09Å; E140-E143 PolarHBondContact O-N 3.47Å; E140-L144 WeakPolarHBondContact O-CB 3.44Å; E140-L144 PolarHBondContact O-N 3.29Å |
| 141 | E | 94.1 | Very high | 94.4 | Very high | 92 Ų | 92 | 62.5 Ų | 62.5 | 43% | 0.43 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.2 | -42.4 | 177 | -72.9 | 167.1 | 130.5 | 0 | 0 | 111.8 | L137 S138 E143 L144 L145 | L137-E141 HydrophobicContact CB-CB 3.87Å; L137-E141 HydrophobicContact CD1-CB 4.14Å; S138-E141 VanDerWaalsContact CB-OE2 3.32Å; S138-E141 WeakPolarHBondContact CB-OE2 3.35Å; S138-E141 PolarHBondContact N-OE2 2.9Å; S138-E141 PolarHBondContact O-N 2.97Å; S138-E141 WeakPolarHBondContact OG-CB 3.35Å; S138-E141 VanDerWaalsContact OG-CD 3.26Å; S138-E141 VanDerWaalsContact OG-CG 3.24Å; S138-E141 WeakPolarHBondContact OG-CG 3.3Å; S138-E141 PolarHBondContact OG-N 2.62Å; S138-E141 PolarHBondContact OG-OE2 3.36Å; E141-E143 VanDerWaalsContact C-N 3.34Å; E141-E143 PolarHBondContact O-N 2.98Å; E141-L144 PolarHBondContact O-N 3.42Å; E141-L145 WeakPolarHBondContact O-CB 3.21Å; E141-L145 WeakPolarHBondContact O-CG 3.47Å; E141-L145 PolarHBondContact O-N 2.82Å |
| 142 | C | 94.6 | Very high | 94.2 | Very high | 2 Ų | 2 | 69 Ų | 69 | 1% | 0.014 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.2 | -43.9 | 174.9 | -76.3 | 0 | 0 | 0 | 0 | 111.5 | S138 E139 L145 G146 Y147 | S138-C142 PolarHBondContact O-N 2.98Å; S138-C142 PolarHBondContact O-SG 3.01Å; E139-C142 PolarHBondContact O-N 3.3Å; C142-L145 CarbonylContact O-C 3.39Å; C142-L145 PolarHBondContact O-N 2.91Å; C142-G146 PolarHBondContact O-N 3.47Å; C142-Y147 PolarHBondContact O-N 2.89Å |
| 143 | E | 92.8 | Very high | 94.1 | Very high | 154 Ų | 154 | 68.5 Ų | 68.5 | 72% | 0.72 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -61.7 | -45.6 | 177 | -173.8 | 177.7 | -178.1 | 0 | 0 | 111.3 | E139 E140 E141 L145 G146 | E139-E143 WeakPolarHBondContact O-CB 3.46Å; E139-E143 PolarHBondContact O-N 3.38Å; E140-E143 PolarHBondContact O-N 3.47Å; E141-E143 VanDerWaalsContact C-N 3.34Å; E141-E143 PolarHBondContact O-N 2.98Å; E143-L145 VanDerWaalsContact C-N 3.29Å; E143-L145 PolarHBondContact O-N 3.43Å; E143-G146 WeakPolarHBondContact O-CA 3.32Å; E143-G146 PolarHBondContact O-N 3.05Å |
| 144 | L | 93.8 | Very high | 94.2 | Very high | 154 Ų | 154 | 68.2 Ų | 68.2 | 81% | 0.806 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -60.2 | -38.6 | 177.9 | -176.5 | 65.3 | 0 | 0 | 0 | 112.4 | E140 E141 G146 | E140-L144 WeakPolarHBondContact O-CB 3.44Å; E140-L144 PolarHBondContact O-N 3.29Å; E141-L144 PolarHBondContact O-N 3.42Å; L144-G146 VanDerWaalsContact C-N 3.28Å |
| 145 | L | 93.8 | Very high | 94.3 | Very high | 71 Ų | 71 | 65.6 Ų | 65.6 | 37% | 0.372 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -2.9 | 176.4 | -66.4 | 173.4 | 0 | 0 | 0 | 113.2 | L137 E141 C142 E143 Y147 L200 | L137-L145 HydrophobicContact CD1-CD1 3.58Å; E141-L145 WeakPolarHBondContact O-CB 3.21Å; E141-L145 WeakPolarHBondContact O-CG 3.47Å; E141-L145 PolarHBondContact O-N 2.82Å; C142-L145 CarbonylContact O-C 3.39Å; C142-L145 PolarHBondContact O-N 2.91Å; E143-L145 VanDerWaalsContact C-N 3.29Å; E143-L145 PolarHBondContact O-N 3.43Å; L145-Y147 HydrophobicContact CB-CD2 3.65Å; L145-Y147 HydrophobicContact CB-CE2 3.79Å; L145-Y147 HydrophobicContact CD1-CE2 4.32Å; L145-L200 HydrophobicContact CD1-CD1 3.97Å; L145-L200 HydrophobicContact CD1-CD2 4.3Å |
| 146 | G | 94.3 | Very high | 94.5 | Very high | 23 Ų | 23 | 67.9 Ų | 67.9 | 24% | 0.237 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | 19.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | K128 R131 C142 E143 L144 E148 | K128-G146 PolarHBondContact NZ-O 2.99Å; R131-G146 PolarHBondContact NH1-O 2.82Å; C142-G146 PolarHBondContact O-N 3.47Å; E143-G146 WeakPolarHBondContact O-CA 3.32Å; E143-G146 PolarHBondContact O-N 3.05Å; L144-G146 VanDerWaalsContact C-N 3.28Å; G146-E148 PolarHBondContact O-N 3.45Å |
| 147 | Y | 95.8 | Very high | 94.8 | Very high | 5 Ų | 5 | 67.3 Ų | 67.3 | 2% | 0.02 | 34% | 0.336 | C | S | . | . | trans | -81.3 | 105.2 | 171.5 | -69.6 | -87.8 | 0 | 0 | 0 | 110.8 | R131 Y133 R134 P135 C142 L145 E193 L200 | R131-Y147 VanDerWaalsContact CD-CD1 3.47Å; Y133-Y147 HydrophobicContact CD2-CE1 4.39Å; Y133-Y147 HydrophobicContact CE2-CE1 4Å; R134-Y147 PolarHBondContact NH2-O 2.96Å; P135-Y147 HydrophobicContact CG-CD2 4Å; P135-Y147 HydrophobicContact CG-CE1 4.45Å; P135-Y147 HydrophobicContact CG-CE2 3.9Å; P135-Y147 HydrophobicContact CG-CG 4.33Å; C142-Y147 PolarHBondContact O-N 2.89Å; L145-Y147 HydrophobicContact CB-CD2 3.65Å; L145-Y147 HydrophobicContact CB-CE2 3.79Å; L145-Y147 HydrophobicContact CD1-CE2 4.32Å; Y147-E193 VanDerWaalsContact CE1-OE1 3.3Å; Y147-E193 WeakPolarHBondContact CE1-OE1 3.3Å; Y147-E193 VanDerWaalsContact CZ-OE1 3.26Å; Y147-E193 PolarHBondContact OH-OE1 3.42Å; Y147-L200 HydrophobicContact CE2-CD1 4.46Å | ||
| 148 | E | 93.9 | Very high | 95.1 | Very high | 66 Ų | 66 | 65.8 Ų | 65.8 | 31% | 0.308 | 33% | 0.328 | S | S | . | . | trans | -76.1 | 159.3 | 169.3 | -75.4 | 166.3 | 110.6 | 0 | 0 | 111.2 | K128 F130 G146 P150 | K128-E148 WeakPolarHBondContact CE-OE2 3.43Å; K128-E148 IonicContact NZ-OE2 3.61Å; K128-E148 PolarHBondContact NZ-OE2 3.26Å; F130-E148 WeakPolarHBondContact CD1-OE2 3.5Å; F130-E148 WeakPolarHBondContact CE1-OE2 3.48Å; G146-E148 PolarHBondContact O-N 3.45Å; E148-P150 VanDerWaalsContact O-CD 3.3Å; E148-P150 WeakPolarHBondContact O-CD 3.39Å | ||
| 149 | H | 95.4 | Very high | 95.4 | Very high | 67 Ų | 67 | 63.1 Ų | 63.1 | 31% | 0.31 | 31% | 0.309 | S | S | . | . | trans | -70.2 | 122.7 | 173.6 | -150.5 | -60.8 | 0 | 0 | 0 | 110 | R134 N151 E152 | R134-H149 PolarHBondContact NH1-CD2 3Å; H149-N151 PolarHBondContact CE1-ND2 3.09Å; H149-N151 PolarHBondContact ND1-ND2 2.8Å; H149-N151 PolarHBondContact O-N 3.2Å; H149-E152 HydrophobicContact CB-CB 4.48Å; H149-E152 HydrophobicContact CB-CG 4.04Å; H149-E152 PolarHBondContact O-N 3.4Å | ||
| 150 | P | 96 | Very high | 95.5 | Very high | 11 Ų | 11 | 57.5 Ų | 57.5 | 7% | 0.071 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -18.2 | -176.8 | -28.6 | 37.4 | 0 | 0 | 0 | 114.9 | S104 M105 A106 N132 R134 E148 | S104-P150 WeakPolarHBondContact CB-O 3.46Å; M105-P150 HydrophobicContact CB-CB 4.2Å; M105-P150 PolarHBondContact N-O 3.4Å; A106-P150 HydrophobicContact CB-CB 3.85Å; A106-P150 PolarHBondContact N-O 2.76Å; N132-P150 VanDerWaalsContact C-CG 3.46Å; N132-P150 WeakPolarHBondContact O-CG 3.33Å; R134-P150 HydrophobicContact CG-CG 4.34Å; E148-P150 VanDerWaalsContact O-CD 3.3Å; E148-P150 WeakPolarHBondContact O-CD 3.39Å |
| 151 | N | 95.8 | Very high | 95.6 | Very high | 103 Ų | 103 | 49.7 Ų | 49.7 | 55% | 0.551 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -25.2 | 176.1 | -70.6 | -44.8 | 0 | 0 | 0 | 112.8 | A106 H149 | A106-N151 WeakPolarHBondContact CB-OD1 3.3Å; H149-N151 PolarHBondContact CE1-ND2 3.09Å; H149-N151 PolarHBondContact ND1-ND2 2.8Å; H149-N151 PolarHBondContact O-N 3.2Å |
| 152 | E | 94.6 | Very high | 95.8 | Very high | 158 Ų | 158 | 45.3 Ų | 45.3 | 74% | 0.738 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -11.3 | -175.1 | -64.3 | 178.9 | 172.1 | 0 | 0 | 112.6 | H149 | H149-E152 HydrophobicContact CB-CB 4.48Å; H149-E152 HydrophobicContact CB-CG 4.04Å; H149-E152 PolarHBondContact O-N 3.4Å |
| 153 | L | 94.9 | Very high | 95.8 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -107.7 | 116.5 | -179.3 | -178.6 | 60 | 0 | 0 | 0 | 110.5 | S104 M105 F130 R157 A158 | S104-L153 CarbonylContact C-O 3.26Å; S104-L153 VanDerWaalsContact CA-O 3.3Å; S104-L153 WeakPolarHBondContact CA-O 3.44Å; M105-L153 HydrophobicContact CG-CB 4.01Å; M105-L153 HydrophobicContact CG-CD2 3.78Å; M105-L153 HydrophobicContact CG-CG 3.73Å; M105-L153 WeakPolarHBondContact CG-O 3.16Å; M105-L153 PolarHBondContact N-O 2.9Å; F130-L153 HydrophobicContact CB-CD2 3.52Å; F130-L153 HydrophobicContact CD1-CD1 4.26Å; F130-L153 HydrophobicContact CD1-CD2 3.2Å; F130-L153 HydrophobicContact CD1-CG 4.39Å; F130-L153 HydrophobicContact CD2-CD2 4.43Å; F130-L153 HydrophobicContact CE1-CD1 4.24Å; F130-L153 HydrophobicContact CE1-CD2 3.98Å; F130-L153 HydrophobicContact CG-CD2 3.47Å; F130-L153 VanDerWaalsContact CG-CD2 3.47Å; L153-R157 HydrophobicContact CD1-CB 4.39Å; L153-R157 HydrophobicContact CD1-CG 4.28Å; L153-A158 HydrophobicContact CD2-CB 4.39Å; L153-A158 HydrophobicContact CG-CB 4.48Å |
| 154 | S | 97.2 | Very high | 95.9 | Very high | 22 Ų | 22 | 38.5 Ų | 38.5 | 15% | 0.154 | 20% | 0.195 | C | C | . | . | B | Isolated β-bridge | trans | -75.4 | 146.1 | 173.3 | 64.5 | 0 | 0 | 0 | 0 | 112.2 | G103 W156 R157 A158 | G103-S154 WeakPolarHBondContact O-CA 3.49Å; S154-W156 VanDerWaalsContact C-N 3.33Å; S154-W156 PolarHBondContact O-N 3.03Å; S154-W156 VanDerWaalsContact OG-CE2 3.26Å; S154-W156 PolarHBondContact OG-NE1 2.81Å; S154-R157 PolarHBondContact O-N 3.31Å; S154-R157 VanDerWaalsContact O-N 3.16Å; S154-R157 WeakPolarHBondContact OG-CB 3.4Å; S154-R157 PolarHBondContact OG-N 3.45Å; S154-A158 PolarHBondContact O-N 3.07Å; S154-A158 VanDerWaalsContact O-N 3.08Å |
| 155 | L | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.8 | -46.2 | 177.1 | -67.7 | 173.6 | 0 | 0 | 0 | 111.4 | I57 Q61 G103 M105 I108 R157 A158 A159 | I57-L155 HydrophobicContact CG2-CB 4.08Å; I57-L155 HydrophobicContact CG2-CD1 4.18Å; I57-L155 HydrophobicContact CG2-CD2 4.02Å; I57-L155 HydrophobicContact CG2-CG 4.33Å; Q61-L155 HydrophobicContact CG-CD1 4.32Å; Q61-L155 VanDerWaalsContact NE2-CD1 3.29Å; G103-L155 WeakPolarHBondContact O-CG 3.24Å; G103-L155 PolarHBondContact O-N 3.05Å; M105-L155 HydrophobicContact CG-CD2 4.35Å; M105-L155 HydrophobicContact SD-CD2 3.67Å; I108-L155 HydrophobicContact CD1-CD1 4.36Å; I108-L155 HydrophobicContact CD1-CD2 3.54Å; I108-L155 HydrophobicContact CG1-CD2 4.34Å; L155-R157 VanDerWaalsContact C-N 3.29Å; L155-R157 PolarHBondContact O-N 3.1Å; L155-A158 PolarHBondContact O-N 2.81Å; L155-A159 PolarHBondContact O-N 2.68Å |
| 156 | W | 97.2 | Very high | 95.5 | Very high | 54 Ų | 54 | 29.9 Ų | 29.9 | 21% | 0.205 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.1 | -37 | 178.2 | 73.3 | -100.8 | 0 | 0 | 0 | 111.9 | K93 I97 L100 S154 A159 V160 | K93-W156 HydrophobicContact CD-CZ3 4.15Å; K93-W156 HydrophobicContact CG-CE3 4.35Å; K93-W156 HydrophobicContact CG-CZ3 4.08Å; I97-W156 HydrophobicContact CD1-CD2 4.1Å; I97-W156 HydrophobicContact CD1-CE3 4.09Å; I97-W156 HydrophobicContact CD1-CZ3 4.38Å; I97-W156 HydrophobicContact CG1-CB 4.01Å; I97-W156 HydrophobicContact CG1-CD2 3.54Å; I97-W156 HydrophobicContact CG1-CE3 3.79Å; I97-W156 HydrophobicContact CG1-CG 3.65Å; L100-W156 HydrophobicContact CB-CB 4.44Å; L100-W156 HydrophobicContact CD1-CB 4.49Å; S154-W156 VanDerWaalsContact C-N 3.33Å; S154-W156 PolarHBondContact O-N 3.03Å; S154-W156 VanDerWaalsContact OG-CE2 3.26Å; S154-W156 PolarHBondContact OG-NE1 2.81Å; W156-A159 PolarHBondContact O-N 3.08Å; W156-V160 HydrophobicContact CE3-CG2 4.03Å; W156-V160 WeakPolarHBondContact O-CB 3.24Å; W156-V160 WeakPolarHBondContact O-CG2 3.49Å; W156-V160 PolarHBondContact O-N 3.46Å |
| 157 | R | 97.1 | Very high | 94.9 | Very high | 58 Ų | 58 | 32.4 Ų | 32.4 | 22% | 0.219 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.3 | -43.7 | 179.1 | 179.6 | 174.1 | 173.1 | -109.8 | 1.8 | 110.6 | L153 S154 L155 A159 V160 C161 D173 | L153-R157 HydrophobicContact CD1-CB 4.39Å; L153-R157 HydrophobicContact CD1-CG 4.28Å; S154-R157 PolarHBondContact O-N 3.31Å; S154-R157 VanDerWaalsContact O-N 3.16Å; S154-R157 WeakPolarHBondContact OG-CB 3.4Å; S154-R157 PolarHBondContact OG-N 3.45Å; L155-R157 VanDerWaalsContact C-N 3.29Å; L155-R157 PolarHBondContact O-N 3.1Å; R157-A159 VanDerWaalsContact C-N 3.3Å; R157-A159 PolarHBondContact O-N 2.83Å; R157-V160 PolarHBondContact O-N 3.16Å; R157-C161 WeakPolarHBondContact O-CB 3.3Å; R157-C161 PolarHBondContact O-N 2.59Å; R157-C161 PolarHBondContact O-SG 3.2Å; R157-D173 IonicContact CZ-OD2 3.09Å; R157-D173 VanDerWaalsContact CZ-OD2 3.25Å; R157-D173 IonicContact NE-OD2 2.74Å; R157-D173 PolarHBondContact NE-OD2 2.88Å; R157-D173 IonicContact NH2-OD2 3.27Å; R157-D173 PolarHBondContact NH2-OD2 2.84Å |
| 158 | A | 97.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.6 | -44.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | M105 I115 F130 L153 S154 L155 S162 | M105-A158 HydrophobicContact SD-CB 3.98Å; I115-A158 HydrophobicContact CG2-CB 4.39Å; F130-A158 HydrophobicContact CB-CB 4.16Å; F130-A158 HydrophobicContact CD2-CB 3.82Å; F130-A158 HydrophobicContact CG-CB 4.19Å; L153-A158 HydrophobicContact CD2-CB 4.39Å; L153-A158 HydrophobicContact CG-CB 4.48Å; S154-A158 PolarHBondContact O-N 3.07Å; S154-A158 VanDerWaalsContact O-N 3.08Å; L155-A158 PolarHBondContact O-N 2.81Å; A158-S162 WeakPolarHBondContact O-CB 3.49Å; A158-S162 PolarHBondContact O-N 3.15Å |
| 159 | A | 97.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.6 | -47.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | V54 I57 L96 L100 L155 W156 R157 S162 T163 | V54-A159 HydrophobicContact CG2-CB 4.24Å; I57-A159 HydrophobicContact CD1-CB 3.85Å; L96-A159 HydrophobicContact CD1-CB 3.97Å; L100-A159 HydrophobicContact CD1-CB 3.44Å; L100-A159 VanDerWaalsContact CD1-CB 3.44Å; L155-A159 PolarHBondContact O-N 2.68Å; W156-A159 PolarHBondContact O-N 3.08Å; R157-A159 VanDerWaalsContact C-N 3.3Å; R157-A159 PolarHBondContact O-N 2.83Å; A159-S162 PolarHBondContact O-N 2.67Å; A159-T163 WeakPolarHBondContact O-CB 3.41Å; A159-T163 WeakPolarHBondContact O-CG2 3.38Å; A159-T163 PolarHBondContact O-N 2.93Å; A159-T163 VanDerWaalsContact O-N 3.08Å; A159-T163 PolarHBondContact O-OG1 3.43Å |
| 160 | V | 96.6 | Very high | 94 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.9 | -43.1 | -179.6 | 177.3 | 0 | 0 | 0 | 0 | 110.6 | K93 L96 W156 R157 S162 T163 A164 I172 | K93-V160 HydrophobicContact CB-CG1 4.41Å; K93-V160 HydrophobicContact CB-CG2 4.25Å; K93-V160 HydrophobicContact CG-CG2 4.32Å; L96-V160 HydrophobicContact CB-CG2 3.95Å; L96-V160 HydrophobicContact CD1-CB 4.33Å; L96-V160 HydrophobicContact CD1-CG2 3.54Å; L96-V160 HydrophobicContact CG-CG2 4.34Å; W156-V160 HydrophobicContact CE3-CG2 4.03Å; W156-V160 WeakPolarHBondContact O-CB 3.24Å; W156-V160 WeakPolarHBondContact O-CG2 3.49Å; W156-V160 PolarHBondContact O-N 3.46Å; R157-V160 PolarHBondContact O-N 3.16Å; V160-S162 VanDerWaalsContact C-N 3.29Å; V160-S162 PolarHBondContact O-N 2.91Å; V160-T163 WeakPolarHBondContact CA-OG1 3.5Å; V160-T163 PolarHBondContact O-N 3.23Å; V160-T163 PolarHBondContact O-OG1 2.86Å; V160-A164 PolarHBondContact O-N 2.95Å; V160-I172 HydrophobicContact CG1-CD1 3.45Å; V160-I172 VanDerWaalsContact CG1-CD1 3.45Å; V160-I172 HydrophobicContact CG1-CG1 3.82Å |
| 161 | C | 97 | Very high | 93.8 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.9 | -39.8 | 173.9 | -71.5 | 0 | 0 | 0 | 0 | 112.2 | T117 F130 R157 T163 I172 F176 I177 | T117-C161 HydrophobicContact CG2-CB 4.49Å; T117-C161 PolarHBondContact OG1-O 3.24Å; F130-C161 HydrophobicContact CE2-CB 3.68Å; F130-C161 HydrophobicContact CZ-CB 4.26Å; R157-C161 WeakPolarHBondContact O-CB 3.3Å; R157-C161 PolarHBondContact O-N 2.59Å; R157-C161 PolarHBondContact O-SG 3.2Å; C161-T163 VanDerWaalsContact C-N 3.3Å; C161-T163 PolarHBondContact O-N 2.76Å; C161-I172 VanDerWaalsContact SG-CG2 3.54Å; C161-F176 HydrophobicContact CB-CB 3.88Å; C161-F176 HydrophobicContact CB-CG 4.36Å; C161-I177 CarbonylContact O-C 3.46Å |
| 162 | S | 97.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -70.9 | -23.7 | 180 | -164.2 | 0 | 0 | 0 | 0 | 113.4 | S50 A53 T116 A158 A159 V160 D178 G179 | S50-S162 VanDerWaalsContact CA-O 3.25Å; S50-S162 WeakPolarHBondContact CA-O 3.49Å; S50-S162 PolarHBondContact N-O 3.09Å; S50-S162 PolarHBondContact N-OG 3.36Å; A53-S162 WeakPolarHBondContact CB-OG 3.25Å; T116-S162 WeakPolarHBondContact O-CB 3.29Å; T116-S162 PolarHBondContact O-OG 2.84Å; A158-S162 WeakPolarHBondContact O-CB 3.49Å; A158-S162 PolarHBondContact O-N 3.15Å; A159-S162 PolarHBondContact O-N 2.67Å; V160-S162 VanDerWaalsContact C-N 3.29Å; V160-S162 PolarHBondContact O-N 2.91Å; S162-D178 VanDerWaalsContact O-CA 3.3Å; S162-D178 WeakPolarHBondContact O-CA 3.32Å; S162-D178 VanDerWaalsContact O-OD1 3.09Å; S162-G179 PolarHBondContact O-N 3.47Å |
| 163 | T | 95 | Very high | 93.7 | Very high | 11 Ų | 11 | 30.3 Ų | 30.3 | 7% | 0.067 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -105 | 1.7 | -174.1 | 49.2 | 0 | 0 | 0 | 0 | 114.3 | S50 V54 A159 V160 C161 V165 F169 | S50-T163 WeakPolarHBondContact O-CG2 3.43Å; V54-T163 HydrophobicContact CG2-CG2 3.84Å; A159-T163 WeakPolarHBondContact O-CB 3.41Å; A159-T163 WeakPolarHBondContact O-CG2 3.38Å; A159-T163 PolarHBondContact O-N 2.93Å; A159-T163 VanDerWaalsContact O-N 3.08Å; A159-T163 PolarHBondContact O-OG1 3.43Å; V160-T163 WeakPolarHBondContact CA-OG1 3.5Å; V160-T163 PolarHBondContact O-N 3.23Å; V160-T163 PolarHBondContact O-OG1 2.86Å; C161-T163 VanDerWaalsContact C-N 3.3Å; C161-T163 PolarHBondContact O-N 2.76Å; T163-V165 VanDerWaalsContact C-N 3.28Å; T163-V165 PolarHBondContact O-N 2.68Å; T163-F169 WeakPolarHBondContact O-CD2 3.22Å |
| 164 | A | 93.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.008 | 22% | 0.218 | C | C | . | . | trans | -78 | 68 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | V160 P166 F169 I172 I177 D178 | V160-A164 PolarHBondContact O-N 2.95Å; A164-P166 WeakPolarHBondContact O-CD 3.49Å; A164-F169 HydrophobicContact CB-CB 4.48Å; A164-I172 HydrophobicContact CB-CD1 4.31Å; A164-I172 HydrophobicContact CB-CG1 3.8Å; A164-I177 WeakPolarHBondContact O-CA 3.4Å; A164-D178 PolarHBondContact O-N 3.43Å | ||
| 165 | V | 91.4 | Very high | 93.4 | Very high | 11 Ų | 11 | 41.3 Ų | 41.3 | 7% | 0.067 | 23% | 0.226 | C | C | . | . | trans | -57.2 | 119.7 | -178.8 | -179 | 0 | 0 | 0 | 0 | 111.1 | T163 G167 R168 F169 D178 F242 L278 | T163-V165 VanDerWaalsContact C-N 3.28Å; T163-V165 PolarHBondContact O-N 2.68Å; V165-G167 PolarHBondContact O-N 2.87Å; V165-R168 HydrophobicContact CB-CB 4.27Å; V165-R168 HydrophobicContact CG1-CB 4.47Å; V165-R168 HydrophobicContact CG1-CG 4.35Å; V165-R168 PolarHBondContact O-N 2.77Å; V165-F169 HydrophobicContact CB-CD2 4.09Å; V165-F169 HydrophobicContact CB-CE2 4.37Å; V165-F169 HydrophobicContact CG2-CD2 4.48Å; V165-F169 HydrophobicContact CG2-CE2 4.43Å; V165-F169 PolarHBondContact O-N 3.1Å; V165-D178 HydrophobicContact CB-CB 4.43Å; V165-D178 HydrophobicContact CG2-CB 4.02Å; V165-D178 WeakPolarHBondContact CG2-OD2 3.26Å; V165-F242 HydrophobicContact CG1-CE2 4.2Å; V165-F242 HydrophobicContact CG1-CZ 4.4Å; V165-L278 HydrophobicContact CB-CD2 4.34Å; V165-L278 HydrophobicContact CG1-CD2 3.82Å; V165-L278 HydrophobicContact CG2-CD2 3.82Å | ||
| 166 | P | 88.1 | Confident | 93.3 | Very high | 34 Ų | 34 | 41.5 Ų | 41.5 | 22% | 0.221 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -55.9 | 132.7 | 177.4 | -26.9 | 35.1 | 0 | 0 | 0 | 112.7 | A164 R168 I177 | A164-P166 WeakPolarHBondContact O-CD 3.49Å; P166-R168 VanDerWaalsContact C-N 3.27Å; P166-R168 PolarHBondContact O-N 3.06Å; P166-I177 HydrophobicContact CG-CB 3.99Å; P166-I177 HydrophobicContact CG-CD1 3.74Å; P166-I177 HydrophobicContact CG-CG1 4.25Å; P166-I177 HydrophobicContact CG-CG2 4.37Å |
| 167 | G | 83.3 | Confident | 93.2 | Very high | 76 Ų | 76 | 39.8 Ų | 39.8 | 78% | 0.784 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.8 | -11 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | V165 | V165-G167 PolarHBondContact O-N 2.87Š|
| 168 | R | 84.5 | Confident | 93.1 | Very high | 104 Ų | 104 | 37 Ų | 37 | 39% | 0.392 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | -37 | 170.9 | -67.5 | -62.5 | -176.9 | 133.3 | 3.1 | 113 | A85 V165 P166 D279 | A85-R168 VanDerWaalsContact CA-O 3.28Å; A85-R168 WeakPolarHBondContact CA-O 3.31Å; A85-R168 WeakPolarHBondContact CB-O 3.19Å; V165-R168 HydrophobicContact CB-CB 4.27Å; V165-R168 HydrophobicContact CG1-CB 4.47Å; V165-R168 HydrophobicContact CG1-CG 4.35Å; V165-R168 PolarHBondContact O-N 2.77Å; P166-R168 VanDerWaalsContact C-N 3.27Å; P166-R168 PolarHBondContact O-N 3.06Å; R168-D279 VanDerWaalsContact CZ-CG 3.43Å; R168-D279 IonicContact CZ-OD1 2.64Å; R168-D279 IonicContact CZ-OD2 3.64Å; R168-D279 VanDerWaalsContact NH1-CG 3.32Å; R168-D279 IonicContact NH1-OD2 3.38Å; R168-D279 PolarHBondContact NH1-OD2 2.92Å; R168-D279 IonicContact NH2-OD1 2.67Å; R168-D279 PolarHBondContact NH2-OD1 3.32Å; R168-D279 IonicContact NH2-OD2 2.97Å; R168-D279 PolarHBondContact NH2-OD2 3.34Å |
| 169 | F | 90.6 | Very high | 92.9 | Very high | 15 Ų | 15 | 37 Ų | 37 | 7% | 0.066 | 21% | 0.211 | C | C | . | . | B | Isolated β-bridge | trans | -128 | 150.3 | -179.9 | -52.2 | -65.8 | 0 | 0 | 0 | 110.2 | I79 F80 A88 L92 T163 A164 V165 | I79-F169 HydrophobicContact CG2-CE1 3.59Å; I79-F169 HydrophobicContact CG2-CZ 3.65Å; F80-F169 HydrophobicContact CE1-CE2 4.47Å; F80-F169 AromaticContact CE1-CZ 3.89Å; F80-F169 HydrophobicContact CE1-CZ 3.89Å; A88-F169 HydrophobicContact CB-CD1 3.91Å; A88-F169 HydrophobicContact CB-CE1 3.72Å; L92-F169 HydrophobicContact CB-CE1 4.26Å; L92-F169 HydrophobicContact CD2-CD1 4.24Å; L92-F169 HydrophobicContact CD2-CD2 4.16Å; L92-F169 HydrophobicContact CD2-CE1 4.09Å; L92-F169 HydrophobicContact CD2-CE2 4.03Å; L92-F169 HydrophobicContact CD2-CG 4.25Å; L92-F169 HydrophobicContact CD2-CZ 3.99Å; T163-F169 WeakPolarHBondContact O-CD2 3.22Å; A164-F169 HydrophobicContact CB-CB 4.48Å; V165-F169 HydrophobicContact CB-CD2 4.09Å; V165-F169 HydrophobicContact CB-CE2 4.37Å; V165-F169 HydrophobicContact CG2-CD2 4.48Å; V165-F169 HydrophobicContact CG2-CE2 4.43Å; V165-F169 PolarHBondContact O-N 3.1Å |
| 170 | A | 90.7 | Very high | 92.7 | Very high | 48 Ų | 48 | 37 Ų | 37 | 40% | 0.397 | 21% | 0.211 | S | C | . | . | P | Polyproline II helix | trans | -67.7 | 148.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 171 | P | 92.5 | Very high | 92.4 | Very high | 73 Ų | 73 | 39.7 Ų | 39.7 | 47% | 0.474 | 23% | 0.225 | S | C | . | . | P | Polyproline II helix | trans | -59.7 | 138.7 | 173.3 | -22.7 | 33.3 | 0 | 0 | 0 | 112.1 | F176 I177 | P171-F176 CarbonylContact C-O 3.58Å; P171-F176 WeakPolarHBondContact CA-O 3.44Å; P171-I177 HydrophobicContact CB-CG2 3.89Å; P171-I177 HydrophobicContact CG-CG2 4Å |
| 172 | I | 94.2 | Very high | 92.1 | Very high | 32 Ų | 32 | 43.3 Ų | 43.3 | 16% | 0.164 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -81.4 | 134.8 | 179.4 | -50.6 | -58 | 0 | 0 | 0 | 109.5 | V160 C161 A164 Q174 K175 F176 | V160-I172 HydrophobicContact CG1-CD1 3.45Å; V160-I172 VanDerWaalsContact CG1-CD1 3.45Å; V160-I172 HydrophobicContact CG1-CG1 3.82Å; C161-I172 VanDerWaalsContact SG-CG2 3.54Å; A164-I172 HydrophobicContact CB-CD1 4.31Å; A164-I172 HydrophobicContact CB-CG1 3.8Å; I172-Q174 PolarHBondContact O-N 3.07Å; I172-K175 PolarHBondContact O-N 3.28Å; I172-F176 HydrophobicContact CB-CB 4.46Å; I172-F176 PolarHBondContact N-O 2.98Å; I172-F176 PolarHBondContact O-N 3.47Å |
| 173 | D | 92.7 | Very high | 91.9 | Very high | 94 Ų | 94 | 43.5 Ų | 43.5 | 50% | 0.503 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 26.8 | -174.1 | -53.1 | -30.6 | 0 | 0 | 0 | 112.7 | R157 K175 | R157-D173 IonicContact CZ-OD2 3.09Å; R157-D173 VanDerWaalsContact CZ-OD2 3.25Å; R157-D173 IonicContact NE-OD2 2.74Å; R157-D173 PolarHBondContact NE-OD2 2.88Å; R157-D173 IonicContact NH2-OD2 3.27Å; R157-D173 PolarHBondContact NH2-OD2 2.84Å; D173-K175 WeakPolarHBondContact O-CB 3.21Å; D173-K175 PolarHBondContact O-N 2.81Å |
| 174 | Q | 92 | Very high | 91.9 | Very high | 183 Ų | 183 | 43.2 Ų | 43.2 | 86% | 0.855 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 20.6 | -171.8 | -55.2 | -179.7 | 7.5 | 0 | 0 | 114 | I172 | I172-Q174 PolarHBondContact O-N 3.07Š|
| 175 | K | 94.7 | Very high | 92 | Very high | 72 Ų | 72 | 43.3 Ų | 43.3 | 31% | 0.313 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -131.9 | -53 | -167.2 | 172.7 | 169.3 | -172.6 | 179.5 | 0 | 113.2 | D119 A120 T121 I172 D173 | D119-K175 WeakPolarHBondContact OD1-CE 3.42Å; D119-K175 WeakPolarHBondContact OD2-CE 3.48Å; D119-K175 IonicContact OD2-NZ 3.02Å; D119-K175 PolarHBondContact OD2-NZ 3.16Å; A120-K175 PolarHBondContact N-O 3.26Å; T121-K175 HydrophobicContact CG2-CB 3.79Å; T121-K175 HydrophobicContact CG2-CD 4.24Å; T121-K175 HydrophobicContact CG2-CG 3.62Å; I172-K175 PolarHBondContact O-N 3.28Å; D173-K175 WeakPolarHBondContact O-CB 3.21Å; D173-K175 PolarHBondContact O-N 2.81Å |
| 176 | F | 96.3 | Very high | 92.2 | Very high | 5 Ų | 5 | 42.8 Ų | 42.8 | 2% | 0.022 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 137.4 | -169.3 | -61.6 | -63.1 | 0 | 0 | 0 | 112 | T117 C118 D119 K128 F130 C161 P171 I172 | T117-F176 HydrophobicContact CG2-CD1 3.67Å; T117-F176 HydrophobicContact CG2-CE1 4.16Å; T117-F176 HydrophobicContact CG2-CG 4.25Å; C118-F176 WeakPolarHBondContact O-CA 3.47Å; D119-F176 HydrophobicContact CB-CD1 4.33Å; D119-F176 HydrophobicContact CB-CE1 4.14Å; K128-F176 HydrophobicContact CB-CE1 4.02Å; K128-F176 HydrophobicContact CG-CE1 3.77Å; K128-F176 HydrophobicContact CG-CZ 4.3Å; F130-F176 HydrophobicContact CE1-CZ 4.41Å; F130-F176 HydrophobicContact CZ-CD2 4.37Å; F130-F176 HydrophobicContact CZ-CE1 4.34Å; F130-F176 HydrophobicContact CZ-CE2 4.11Å; F130-F176 HydrophobicContact CZ-CZ 4.09Å; C161-F176 HydrophobicContact CB-CB 3.88Å; C161-F176 HydrophobicContact CB-CG 4.36Å; P171-F176 CarbonylContact C-O 3.58Å; P171-F176 WeakPolarHBondContact CA-O 3.44Å; I172-F176 HydrophobicContact CB-CB 4.46Å; I172-F176 PolarHBondContact N-O 2.98Å; I172-F176 PolarHBondContact O-N 3.47Å |
| 177 | I | 94.8 | Very high | 92.7 | Very high | 17 Ų | 17 | 41.2 Ų | 41.2 | 9% | 0.087 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 170.2 | 173.1 | 63.9 | -178.9 | 0 | 0 | 0 | 109.7 | T117 C118 A120 C161 A164 P166 P171 G179 L181 | T117-I177 PolarHBondContact OG1-O 3.02Å; C118-I177 HydrophobicContact CB-CD1 4.39Å; C118-I177 HydrophobicContact CB-CG1 3.71Å; C118-I177 PolarHBondContact N-O 2.95Å; C118-I177 PolarHBondContact O-N 2.93Å; A120-I177 HydrophobicContact CB-CD1 3.79Å; A120-I177 HydrophobicContact CB-CG1 4.13Å; A120-I177 HydrophobicContact CB-CG2 4.41Å; C161-I177 CarbonylContact O-C 3.46Å; A164-I177 WeakPolarHBondContact O-CA 3.4Å; P166-I177 HydrophobicContact CG-CB 3.99Å; P166-I177 HydrophobicContact CG-CD1 3.74Å; P166-I177 HydrophobicContact CG-CG1 4.25Å; P166-I177 HydrophobicContact CG-CG2 4.37Å; P171-I177 HydrophobicContact CB-CG2 3.89Å; P171-I177 HydrophobicContact CG-CG2 4Å; I177-G179 PolarHBondContact O-N 3.21Å; I177-L181 HydrophobicContact CD1-CD2 3.56Å |
| 178 | D | 95 | Very high | 93.3 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -50.4 | 132.8 | -175.9 | -166.8 | -51.6 | 0 | 0 | 0 | 112.5 | S50 S162 A164 V165 G180 L181 F242 | S50-D178 WeakPolarHBondContact CB-OD1 3.39Å; S50-D178 WeakPolarHBondContact CB-OD2 3.34Å; S50-D178 PolarHBondContact OG-OD2 2.84Å; S162-D178 VanDerWaalsContact O-CA 3.3Å; S162-D178 WeakPolarHBondContact O-CA 3.32Å; S162-D178 VanDerWaalsContact O-OD1 3.09Å; A164-D178 PolarHBondContact O-N 3.43Å; V165-D178 HydrophobicContact CB-CB 4.43Å; V165-D178 HydrophobicContact CG2-CB 4.02Å; V165-D178 WeakPolarHBondContact CG2-OD2 3.26Å; D178-G180 PolarHBondContact O-N 2.8Å; D178-G180 PolarHBondContact OD1-N 3.18Å; D178-L181 PolarHBondContact O-N 3.29Å; D178-F242 HydrophobicContact CB-CE1 3.86Å; D178-F242 HydrophobicContact CB-CZ 3.97Å; D178-F242 WeakPolarHBondContact OD1-CE1 3.47Å |
| 179 | G | 93.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -62.4 | -21.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | S162 I177 L181 I182 S183 | S162-G179 PolarHBondContact O-N 3.47Å; I177-G179 PolarHBondContact O-N 3.21Å; G179-L181 PolarHBondContact O-N 2.88Å; G179-L181 VanDerWaalsContact O-N 3.09Å; G179-I182 PolarHBondContact O-N 2.83Å; G179-S183 CarbonylContact O-C 3.58Å; G179-S183 PolarHBondContact O-N 3.27Å |
| 180 | G | 92.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -66.2 | -9.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | T49 D178 I182 N184 | T49-G180 VanDerWaalsContact CG2-N 3.32Å; D178-G180 PolarHBondContact O-N 2.8Å; D178-G180 PolarHBondContact OD1-N 3.18Å; G180-I182 VanDerWaalsContact C-N 3.3Å; G180-N184 VanDerWaalsContact CA-OD1 3.3Å; G180-N184 WeakPolarHBondContact CA-OD1 3.49Å; G180-N184 WeakPolarHBondContact O-CB 3.42Å |
| 181 | L | 90.5 | Very high | 94.5 | Very high | 57 Ų | 57 | 34.5 Ų | 34.5 | 30% | 0.298 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -69.4 | -28.3 | 169.1 | -172.2 | 63.8 | 0 | 0 | 0 | 112.8 | I177 D178 G179 L238 I241 F242 | I177-L181 HydrophobicContact CD1-CD2 3.56Å; D178-L181 PolarHBondContact O-N 3.29Å; G179-L181 PolarHBondContact O-N 2.88Å; G179-L181 VanDerWaalsContact O-N 3.09Å; L181-L238 HydrophobicContact CD1-CD2 3.62Å; L181-I241 HydrophobicContact CD1-CD1 4.42Å; L181-F242 HydrophobicContact CB-CZ 4.37Å |
| 182 | I | 91.5 | Very high | 94.7 | Very high | 76 Ų | 76 | 35 Ų | 35 | 39% | 0.39 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -126.6 | -31 | -171.5 | -169.2 | 159.4 | 0 | 0 | 0 | 113.9 | C118 L127 G179 G180 | C118-I182 HydrophobicContact CB-CG2 3.86Å; L127-I182 HydrophobicContact CB-CD1 4.03Å; L127-I182 HydrophobicContact CB-CG1 4.34Å; L127-I182 HydrophobicContact CB-CG2 4.33Å; L127-I182 HydrophobicContact CD1-CG2 3.89Å; G179-I182 PolarHBondContact O-N 2.83Å; G180-I182 VanDerWaalsContact C-N 3.3Å |
| 183 | S | 93.5 | Very high | 94.9 | Very high | 5 Ų | 5 | 33.8 Ų | 33.8 | 4% | 0.035 | 17% | 0.171 | C | C | . | . | trans | -145.8 | 66.4 | -176.5 | 166.5 | 0 | 0 | 0 | 0 | 109.1 | T49 G179 D189 | T49-S183 VanDerWaalsContact CG2-O 3.32Å; T49-S183 WeakPolarHBondContact CG2-O 3.41Å; T49-S183 PolarHBondContact OG1-O 2.96Å; G179-S183 CarbonylContact O-C 3.58Å; G179-S183 PolarHBondContact O-N 3.27Å; S183-D189 PolarHBondContact OG-OD2 3.09Å | ||
| 184 | N | 93.8 | Very high | 95 | Very high | 4 Ų | 4 | 29.3 Ų | 29.3 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -74.6 | -28.8 | -177.8 | -156.8 | 26.4 | 0 | 0 | 0 | 114.3 | D15 G16 G180 F242 T246 | D15-N184 CarbonylContact C-O 3.42Å; D15-N184 VanDerWaalsContact CA-O 3.3Å; D15-N184 WeakPolarHBondContact CA-O 3.4Å; G16-N184 WeakPolarHBondContact CA-OD1 3.36Å; G16-N184 PolarHBondContact N-O 3.42Å; G180-N184 VanDerWaalsContact CA-OD1 3.3Å; G180-N184 WeakPolarHBondContact CA-OD1 3.49Å; G180-N184 WeakPolarHBondContact O-CB 3.42Å; N184-F242 WeakPolarHBondContact ND2-CA 3.46Å; N184-F242 PolarHBondContact ND2-O 2.94Å; N184-T246 HydrophobicContact CB-CG2 3.99Å; N184-T246 WeakPolarHBondContact ND2-CG2 3.3Å |
| 185 | N | 95.3 | Very high | 95.1 | Very high | 4 Ų | 4 | 23.4 Ų | 23.4 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -109.7 | 102.7 | 164.7 | 175 | -25.7 | 0 | 0 | 0 | 106.7 | D15 T187 S216 T246 V250 L251 R267 | D15-N185 WeakPolarHBondContact OD1-CA 3.28Å; D15-N185 WeakPolarHBondContact OD1-CB 3.41Å; N185-T187 PolarHBondContact O-N 2.95Å; N185-T187 VanDerWaalsContact O-N 3.13Å; N185-T187 WeakPolarHBondContact OD1-CB 3.47Å; N185-T187 PolarHBondContact OD1-N 3.29Å; N185-T187 PolarHBondContact OD1-OG1 3.26Å; N185-S216 PolarHBondContact ND2-OG 3.06Å; N185-T246 HydrophobicContact CB-CG2 4.39Å; N185-T246 PolarHBondContact ND2-O 3.03Å; N185-V250 HydrophobicContact CB-CG1 4.35Å; N185-L251 WeakPolarHBondContact ND2-CD2 3.3Å; N185-R267 PolarHBondContact ND2-NH1 3.44Å |
| 186 | P | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 11.3 | -172.4 | 33.5 | -35.5 | 0 | 0 | 0 | 113.1 | A13 F14 A47 T49 T116 Q188 D189 L190 | A13-P186 HydrophobicContact CB-CG 4.23Å; F14-P186 WeakPolarHBondContact O-CG 3.38Å; A47-P186 HydrophobicContact CB-CB 3.93Å; A47-P186 HydrophobicContact CB-CG 4.01Å; T49-P186 WeakPolarHBondContact OG1-CB 3.31Å; T49-P186 WeakPolarHBondContact OG1-CD 3.3Å; T49-P186 WeakPolarHBondContact OG1-CG 3.24Å; T116-P186 HydrophobicContact CG2-CB 3.65Å; P186-Q188 PolarHBondContact O-N 3.04Å; P186-D189 PolarHBondContact O-N 3.37Å; P186-L190 VanDerWaalsContact O-CB 3.26Å; P186-L190 WeakPolarHBondContact O-CB 3.37Å; P186-L190 PolarHBondContact O-N 3.28Å |
| 187 | T | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.3 | -43.7 | -176.1 | -51.3 | 0 | 0 | 0 | 0 | 111.5 | A13 N185 D189 L190 M191 V214 S216 C254 F265 | A13-T187 HydrophobicContact CB-CG2 4.41Å; A13-T187 WeakPolarHBondContact CB-OG1 3.26Å; N185-T187 PolarHBondContact O-N 2.95Å; N185-T187 VanDerWaalsContact O-N 3.13Å; N185-T187 WeakPolarHBondContact OD1-CB 3.47Å; N185-T187 PolarHBondContact OD1-N 3.29Å; N185-T187 PolarHBondContact OD1-OG1 3.26Å; T187-D189 VanDerWaalsContact C-N 3.35Å; T187-L190 PolarHBondContact O-N 2.75Å; T187-M191 HydrophobicContact CG2-SD 4.32Å; T187-M191 VanDerWaalsContact O-CG 3.31Å; T187-M191 WeakPolarHBondContact O-CG 3.36Å; T187-M191 PolarHBondContact O-N 3.1Å; T187-V214 HydrophobicContact CG2-CG1 3.48Å; T187-V214 VanDerWaalsContact CG2-CG1 3.48Å; T187-S216 VanDerWaalsContact OG1-CB 3.29Å; T187-S216 WeakPolarHBondContact OG1-CB 3.19Å; T187-S216 PolarHBondContact OG1-OG 2.78Å; T187-C254 HydrophobicContact CG2-CB 4.41Å; T187-F265 HydrophobicContact CG2-CE2 3.99Å |
| 188 | Q | 95.8 | Very high | 94.7 | Very high | 53 Ų | 53 | 23 Ų | 23 | 25% | 0.248 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.8 | -41.2 | 179.5 | -168 | 179.2 | -26.6 | 0 | 0 | 110.7 | P186 M191 T192 V250 | P186-Q188 PolarHBondContact O-N 3.04Å; Q188-M191 PolarHBondContact O-N 2.74Å; Q188-T192 WeakPolarHBondContact O-CB 3.37Å; Q188-T192 PolarHBondContact O-N 3.39Å; Q188-T192 PolarHBondContact O-OG1 3.18Å; Q188-V250 HydrophobicContact CB-CG1 4.38Å |
| 189 | D | 96.7 | Very high | 94.5 | Very high | 40 Ų | 40 | 27.4 Ų | 27.4 | 21% | 0.214 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.2 | -39.4 | 178 | -55.6 | -81.5 | 0 | 0 | 0 | 111.6 | L127 S183 P186 T187 T192 E193 | L127-D189 HydrophobicContact CD2-CB 4.26Å; L127-D189 WeakPolarHBondContact CD2-OD1 2.79Å; S183-D189 PolarHBondContact OG-OD2 3.09Å; P186-D189 PolarHBondContact O-N 3.37Å; T187-D189 VanDerWaalsContact C-N 3.35Å; D189-T192 PolarHBondContact O-N 3.35Å; D189-E193 VanDerWaalsContact O-CB 3.31Å; D189-E193 WeakPolarHBondContact O-CB 3.47Å; D189-E193 PolarHBondContact O-N 3.11Å |
| 190 | L | 98 | Very high | 94.3 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.1 | -46.5 | 173.8 | -178.1 | 57.7 | 0 | 0 | 0 | 112 | L11 I12 A13 W45 A47 V114 P186 T187 T192 E193 F194 | L11-L190 HydrophobicContact CB-CD2 3.97Å; L11-L190 HydrophobicContact CD2-CD2 4.45Å; L11-L190 HydrophobicContact CD2-CG 4.13Å; L11-L190 HydrophobicContact CG-CD2 4.21Å; L11-L190 HydrophobicContact CG-CG 4.28Å; I12-L190 VanDerWaalsContact O-CD2 3.3Å; I12-L190 WeakPolarHBondContact O-CD2 3.33Å; A13-L190 HydrophobicContact CB-CD2 4.22Å; W45-L190 HydrophobicContact CB-CD1 4.17Å; W45-L190 HydrophobicContact CE3-CD1 3.72Å; W45-L190 HydrophobicContact CZ3-CD1 4.47Å; A47-L190 HydrophobicContact CB-CB 3.82Å; A47-L190 HydrophobicContact CB-CD1 3.99Å; A47-L190 HydrophobicContact CB-CD2 3.84Å; A47-L190 HydrophobicContact CB-CG 4.08Å; V114-L190 HydrophobicContact CB-CD1 4.41Å; V114-L190 HydrophobicContact CG2-CD1 4.06Å; P186-L190 VanDerWaalsContact O-CB 3.26Å; P186-L190 WeakPolarHBondContact O-CB 3.37Å; P186-L190 PolarHBondContact O-N 3.28Å; T187-L190 PolarHBondContact O-N 2.75Å; L190-T192 VanDerWaalsContact C-N 3.3Å; L190-T192 PolarHBondContact O-N 2.87Å; L190-E193 PolarHBondContact O-N 3.43Å; L190-F194 WeakPolarHBondContact O-CB 3.41Å; L190-F194 PolarHBondContact O-N 2.84Å |
| 191 | M | 97.4 | Very high | 94 | Very high | 8 Ų | 8 | 29.9 Ų | 29.9 | 4% | 0.039 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.6 | -38.9 | 176.3 | -69.3 | 172.9 | 64.6 | 0 | 0 | 111.6 | L11 T187 Q188 F194 F195 I211 V214 C254 W257 C258 | L11-M191 HydrophobicContact CD2-CG 4.08Å; T187-M191 HydrophobicContact CG2-SD 4.32Å; T187-M191 VanDerWaalsContact O-CG 3.31Å; T187-M191 WeakPolarHBondContact O-CG 3.36Å; T187-M191 PolarHBondContact O-N 3.1Å; Q188-M191 PolarHBondContact O-N 2.74Å; M191-F194 WeakPolarHBondContact O-CB 3.38Å; M191-F194 PolarHBondContact O-N 2.66Å; M191-F195 WeakPolarHBondContact O-CD2 3.31Å; M191-F195 PolarHBondContact O-N 2.77Å; M191-F195 VanDerWaalsContact O-N 3.17Å; M191-I211 HydrophobicContact CE-CD1 3.99Å; M191-I211 HydrophobicContact CG-CD1 4.2Å; M191-V214 HydrophobicContact CG-CG2 4.36Å; M191-V214 HydrophobicContact SD-CG1 4.43Å; M191-V214 HydrophobicContact SD-CG2 4.3Å; M191-C254 HydrophobicContact SD-CB 4.13Å; M191-W257 HydrophobicContact CE-CB 3.65Å; M191-C258 WeakPolarHBondContact CE-SG 3.41Å |
| 192 | T | 96.6 | Very high | 93.3 | Very high | 84 Ų | 84 | 33 Ų | 33 | 52% | 0.515 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -64.7 | -46.5 | 177.3 | -57.5 | 0 | 0 | 0 | 0 | 110.7 | Q188 D189 L190 F194 F195 L196 | Q188-T192 WeakPolarHBondContact O-CB 3.37Å; Q188-T192 PolarHBondContact O-N 3.39Å; Q188-T192 PolarHBondContact O-OG1 3.18Å; D189-T192 PolarHBondContact O-N 3.35Å; L190-T192 VanDerWaalsContact C-N 3.3Å; L190-T192 PolarHBondContact O-N 2.87Å; T192-F194 VanDerWaalsContact C-N 3.33Å; T192-F194 PolarHBondContact O-N 2.9Å; T192-F195 PolarHBondContact O-N 2.71Å; T192-L196 WeakPolarHBondContact O-CB 3.34Å; T192-L196 PolarHBondContact O-N 2.86Å |
| 193 | E | 96.9 | Very high | 92.4 | Very high | 6 Ų | 6 | 35.9 Ų | 35.9 | 3% | 0.028 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.4 | -39.9 | 176.8 | -177.5 | 65.3 | -164.8 | 0 | 0 | 111.9 | W45 V114 R131 Y133 Y147 D189 L190 L196 L197 | W45-E193 HydrophobicContact CH2-CG 4.35Å; W45-E193 HydrophobicContact CZ3-CB 4.44Å; W45-E193 HydrophobicContact CZ3-CG 3.84Å; V114-E193 HydrophobicContact CG2-CG 4.2Å; R131-E193 WeakPolarHBondContact CD-OE1 3.41Å; R131-E193 IonicContact CZ-OE1 3.1Å; R131-E193 IonicContact CZ-OE2 3.16Å; R131-E193 IonicContact NE-OE1 3.2Å; R131-E193 PolarHBondContact NE-OE1 3.32Å; R131-E193 IonicContact NE-OE2 2.77Å; R131-E193 PolarHBondContact NE-OE2 3.09Å; R131-E193 IonicContact NH2-OE1 2.77Å; R131-E193 IonicContact NH2-OE2 2.68Å; R131-E193 PolarHBondContact NH2-OE2 3.31Å; Y133-E193 WeakPolarHBondContact OH-CG 2.78Å; Y133-E193 PolarHBondContact OH-OE1 3.29Å; Y147-E193 VanDerWaalsContact CE1-OE1 3.3Å; Y147-E193 WeakPolarHBondContact CE1-OE1 3.3Å; Y147-E193 VanDerWaalsContact CZ-OE1 3.26Å; Y147-E193 PolarHBondContact OH-OE1 3.42Å; D189-E193 VanDerWaalsContact O-CB 3.31Å; D189-E193 WeakPolarHBondContact O-CB 3.47Å; D189-E193 PolarHBondContact O-N 3.11Å; L190-E193 PolarHBondContact O-N 3.43Å; E193-L196 PolarHBondContact O-N 2.99Å; E193-L197 WeakPolarHBondContact O-CB 3.18Å; E193-L197 PolarHBondContact O-N 3.25Å |
| 194 | F | 95.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.9 | -54.2 | 174.5 | 171.6 | -100.5 | 0 | 0 | 0 | 111.8 | N9 L11 W45 L190 M191 T192 L196 L197 I198 I211 | N9-F194 HydrophobicContact CB-CE2 3.57Å; N9-F194 HydrophobicContact CB-CZ 4.06Å; L11-F194 HydrophobicContact CD1-CD2 4.18Å; L11-F194 HydrophobicContact CD1-CE2 4.38Å; L11-F194 HydrophobicContact CD2-CB 4.15Å; L11-F194 HydrophobicContact CD2-CG 4.29Å; W45-F194 AromaticContact CD1-CD2 4Å; W45-F194 HydrophobicContact CD2-CD2 4.19Å; W45-F194 AromaticContact CE2-CD2 3.55Å; W45-F194 HydrophobicContact CG-CD2 4.4Å; W45-F194 HydrophobicContact CH2-CB 4.4Å; W45-F194 HydrophobicContact CZ2-CB 4.34Å; W45-F194 AromaticContact CZ2-CD2 3.77Å; W45-F194 HydrophobicContact CZ2-CD2 3.77Å; W45-F194 AromaticContact NE1-CD2 3.48Å; W45-F194 AromaticContact NE1-CE2 3.81Å; L190-F194 WeakPolarHBondContact O-CB 3.41Å; L190-F194 PolarHBondContact O-N 2.84Å; M191-F194 WeakPolarHBondContact O-CB 3.38Å; M191-F194 PolarHBondContact O-N 2.66Å; T192-F194 VanDerWaalsContact C-N 3.33Å; T192-F194 PolarHBondContact O-N 2.9Å; F194-L196 PolarHBondContact O-N 2.58Å; F194-L197 PolarHBondContact O-N 2.72Å; F194-I198 HydrophobicContact CD1-CD1 3.78Å; F194-I198 HydrophobicContact CD2-CD1 4.2Å; F194-I198 HydrophobicContact CE1-CD1 3.23Å; F194-I198 HydrophobicContact CE2-CD1 3.71Å; F194-I198 HydrophobicContact CG-CD1 4.24Å; F194-I198 HydrophobicContact CZ-CD1 3.23Å; F194-I198 HydrophobicContact CZ-CG1 4.41Å; F194-I198 WeakPolarHBondContact O-CG1 3.14Å; F194-I198 PolarHBondContact O-N 3.34Å; F194-I211 HydrophobicContact CD1-CD1 4.15Å; F194-I211 HydrophobicContact CD1-CG1 3.67Å; F194-I211 HydrophobicContact CE1-CB 4.47Å; F194-I211 HydrophobicContact CE1-CD1 4.31Å; F194-I211 HydrophobicContact CE1-CG1 3.38Å; F194-I211 HydrophobicContact CZ-CG1 4.09Å |
| 195 | F | 94.2 | Very high | 90 | Very high | 60 Ų | 60 | 43.7 Ų | 43.7 | 26% | 0.263 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -69.8 | -32.1 | -179.8 | -74.2 | -62.4 | 0 | 0 | 0 | 113.1 | M191 T192 I198 T199 I211 Q261 | M191-F195 WeakPolarHBondContact O-CD2 3.31Å; M191-F195 PolarHBondContact O-N 2.77Å; M191-F195 VanDerWaalsContact O-N 3.17Å; T192-F195 PolarHBondContact O-N 2.71Å; F195-I198 HydrophobicContact CD1-CD1 4.37Å; F195-T199 WeakPolarHBondContact O-CB 3.36Å; F195-T199 PolarHBondContact O-N 2.99Å; F195-T199 PolarHBondContact O-OG1 3.33Å; F195-I211 HydrophobicContact CE2-CD1 3.62Å; F195-I211 HydrophobicContact CE2-CG1 4.27Å; F195-I211 HydrophobicContact CZ-CD1 3.76Å; F195-I211 HydrophobicContact CZ-CG1 3.96Å; F195-Q261 HydrophobicContact CZ-CG 4.11Å |
| 196 | L | 94.1 | Very high | 88.9 | Confident | 59 Ų | 59 | 50.6 Ų | 50.6 | 31% | 0.309 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.2 | -50.7 | 171.9 | 177.8 | 61.6 | 0 | 0 | 0 | 110.2 | T192 E193 F194 I198 T199 L200 | T192-L196 WeakPolarHBondContact O-CB 3.34Å; T192-L196 PolarHBondContact O-N 2.86Å; E193-L196 PolarHBondContact O-N 2.99Å; F194-L196 PolarHBondContact O-N 2.58Å; L196-I198 VanDerWaalsContact C-N 3.34Å; L196-I198 PolarHBondContact O-N 3.46Å; L196-T199 WeakPolarHBondContact O-CB 3.41Å; L196-T199 PolarHBondContact O-N 2.89Å; L196-T199 VanDerWaalsContact O-N 3.12Å; L196-L200 HydrophobicContact CD1-CD1 4.09Å; L196-L200 HydrophobicContact CD1-CG 4.23Å; L196-L200 HydrophobicContact CG-CD1 3.98Å; L196-L200 VanDerWaalsContact O-CG 3.3Å; L196-L200 WeakPolarHBondContact O-CG 3.42Å; L196-L200 PolarHBondContact O-N 3.18Å |
| 197 | L | 93.1 | Very high | 87.6 | Confident | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.8 | -39.3 | -178.9 | -169.6 | 64.6 | 0 | 0 | 0 | 112 | W45 Y133 P135 E193 F194 T199 L200 N201 | W45-L197 HydrophobicContact CH2-CB 3.89Å; W45-L197 HydrophobicContact CH2-CD2 3.49Å; W45-L197 VanDerWaalsContact CH2-CD2 3.49Å; W45-L197 HydrophobicContact CH2-CG 4.33Å; W45-L197 HydrophobicContact CZ2-CB 4.27Å; W45-L197 HydrophobicContact CZ2-CD2 3.63Å; Y133-L197 HydrophobicContact CD2-CD1 4.38Å; Y133-L197 HydrophobicContact CD2-CD2 3.89Å; Y133-L197 HydrophobicContact CE2-CD1 4.35Å; Y133-L197 HydrophobicContact CE2-CD2 3.73Å; P135-L197 HydrophobicContact CB-CD1 3.76Å; E193-L197 WeakPolarHBondContact O-CB 3.18Å; E193-L197 PolarHBondContact O-N 3.25Å; F194-L197 PolarHBondContact O-N 2.72Å; L197-T199 VanDerWaalsContact C-N 3.34Å; L197-T199 PolarHBondContact O-N 2.92Å; L197-L200 PolarHBondContact O-N 3.35Å; L197-N201 VanDerWaalsContact O-CB 3.32Å; L197-N201 WeakPolarHBondContact O-CB 3.42Å; L197-N201 VanDerWaalsContact O-CG 3.26Å; L197-N201 PolarHBondContact O-N 3.37Å; L197-N201 PolarHBondContact O-ND2 3.16Å |
| 198 | I | 90.1 | Very high | 86.7 | Confident | 23 Ų | 23 | 58.2 Ų | 58.2 | 12% | 0.118 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59 | -47 | 172.6 | -70.8 | 169.8 | 0 | 0 | 0 | 110.7 | F194 F195 L196 L200 N201 F202 E209 | F194-I198 HydrophobicContact CD1-CD1 3.78Å; F194-I198 HydrophobicContact CD2-CD1 4.2Å; F194-I198 HydrophobicContact CE1-CD1 3.23Å; F194-I198 HydrophobicContact CE2-CD1 3.71Å; F194-I198 HydrophobicContact CG-CD1 4.24Å; F194-I198 HydrophobicContact CZ-CD1 3.23Å; F194-I198 HydrophobicContact CZ-CG1 4.41Å; F194-I198 WeakPolarHBondContact O-CG1 3.14Å; F194-I198 PolarHBondContact O-N 3.34Å; F195-I198 HydrophobicContact CD1-CD1 4.37Å; L196-I198 VanDerWaalsContact C-N 3.34Å; L196-I198 PolarHBondContact O-N 3.46Å; I198-L200 VanDerWaalsContact C-N 3.32Å; I198-L200 PolarHBondContact O-N 2.93Å; I198-N201 CarbonylContact O-C 3.45Å; I198-N201 PolarHBondContact O-N 3.35Å; I198-F202 WeakPolarHBondContact O-CB 3.25Å; I198-F202 PolarHBondContact O-N 3.35Å; I198-E209 HydrophobicContact CD1-CB 3.55Å; I198-E209 HydrophobicContact CG1-CB 3.87Å |
| 199 | T | 89.7 | Confident | 86.3 | Confident | 91 Ų | 91 | 56.9 Ų | 56.9 | 56% | 0.558 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -62.1 | -41.5 | -178.9 | -57.3 | 0 | 0 | 0 | 0 | 111.5 | F195 L196 L197 F202 | F195-T199 WeakPolarHBondContact O-CB 3.36Å; F195-T199 PolarHBondContact O-N 2.99Å; F195-T199 PolarHBondContact O-OG1 3.33Å; L196-T199 WeakPolarHBondContact O-CB 3.41Å; L196-T199 PolarHBondContact O-N 2.89Å; L196-T199 VanDerWaalsContact O-N 3.12Å; L197-T199 VanDerWaalsContact C-N 3.34Å; L197-T199 PolarHBondContact O-N 2.92Å; T199-F202 PolarHBondContact O-N 3.45Å |
| 200 | L | 90.1 | Very high | 86 | Confident | 21 Ų | 21 | 56.5 Ų | 56.5 | 11% | 0.11 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.7 | -40.5 | 176.6 | -64 | 172.7 | 0 | 0 | 0 | 111.4 | P135 L137 L145 Y147 L196 L197 I198 Q203 H204 | P135-L200 HydrophobicContact CB-CB 4.24Å; P135-L200 HydrophobicContact CB-CD1 4.03Å; P135-L200 HydrophobicContact CG-CD1 4.12Å; L137-L200 HydrophobicContact CD1-CD1 4.1Å; L137-L200 HydrophobicContact CD1-CD2 4.02Å; L137-L200 HydrophobicContact CD1-CG 4.49Å; L145-L200 HydrophobicContact CD1-CD1 3.97Å; L145-L200 HydrophobicContact CD1-CD2 4.3Å; Y147-L200 HydrophobicContact CE2-CD1 4.46Å; L196-L200 HydrophobicContact CD1-CD1 4.09Å; L196-L200 HydrophobicContact CD1-CG 4.23Å; L196-L200 HydrophobicContact CG-CD1 3.98Å; L196-L200 VanDerWaalsContact O-CG 3.3Å; L196-L200 WeakPolarHBondContact O-CG 3.42Å; L196-L200 PolarHBondContact O-N 3.18Å; L197-L200 PolarHBondContact O-N 3.35Å; I198-L200 VanDerWaalsContact C-N 3.32Å; I198-L200 PolarHBondContact O-N 2.93Å; L200-Q203 PolarHBondContact O-N 2.85Å; L200-H204 PolarHBondContact O-CD2 3.15Å |
| 201 | N | 85.3 | Confident | 85.8 | Confident | 32 Ų | 32 | 56.5 Ų | 56.5 | 17% | 0.171 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -71.5 | -27.6 | 176.6 | -74 | -17 | 0 | 0 | 0 | 113.1 | P136 L197 I198 Q203 H204 S205 | P136-N201 WeakPolarHBondContact CD-OD1 3.46Å; L197-N201 VanDerWaalsContact O-CB 3.32Å; L197-N201 WeakPolarHBondContact O-CB 3.42Å; L197-N201 VanDerWaalsContact O-CG 3.26Å; L197-N201 PolarHBondContact O-N 3.37Å; L197-N201 PolarHBondContact O-ND2 3.16Å; I198-N201 CarbonylContact O-C 3.45Å; I198-N201 PolarHBondContact O-N 3.35Å; N201-Q203 PolarHBondContact O-N 2.95Å; N201-H204 CarbonylContact O-C 3.53Å; N201-H204 WeakPolarHBondContact O-CA 3.41Å; N201-H204 WeakPolarHBondContact O-CB 3.2Å; N201-H204 PolarHBondContact O-N 2.63Å; N201-S205 PolarHBondContact O-N 2.84Å |
| 202 | F | 77 | Confident | 85.5 | Confident | 121 Ų | 121 | 56.2 Ų | 56.2 | 53% | 0.531 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.2 | -23.9 | 179.6 | -163.4 | -96.3 | 0 | 0 | 0 | 112.2 | I198 T199 H204 S205 | I198-F202 WeakPolarHBondContact O-CB 3.25Å; I198-F202 PolarHBondContact O-N 3.35Å; T199-F202 PolarHBondContact O-N 3.45Å; F202-H204 PolarHBondContact O-N 3Å; F202-S205 WeakPolarHBondContact CA-O 3.21Å |
| 203 | Q | 72.4 | Confident | 85.5 | Confident | 137 Ų | 137 | 52.2 Ų | 52.2 | 64% | 0.64 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -13.7 | 170.5 | -59.9 | -175.8 | -25.2 | 0 | 0 | 112.8 | L200 N201 | L200-Q203 PolarHBondContact O-N 2.85Å; N201-Q203 PolarHBondContact O-N 2.95Å |
| 204 | H | 67.4 | Low | 85.5 | Confident | 118 Ų | 118 | 51.9 Ų | 51.9 | 55% | 0.546 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.6 | -16.8 | -175.3 | -59.3 | -79.7 | 0 | 0 | 0 | 114.6 | P136 L200 N201 F202 | P136-H204 HydrophobicContact CG-CB 4.49Å; P136-H204 PolarHBondContact O-NE2 2.86Å; L200-H204 PolarHBondContact O-CD2 3.15Å; N201-H204 CarbonylContact O-C 3.53Å; N201-H204 WeakPolarHBondContact O-CA 3.41Å; N201-H204 WeakPolarHBondContact O-CB 3.2Å; N201-H204 PolarHBondContact O-N 2.63Å; F202-H204 PolarHBondContact O-N 3Å |
| 205 | S | 69.9 | Low | 85.6 | Confident | 56 Ų | 56 | 51.9 Ų | 51.9 | 39% | 0.392 | 26% | 0.257 | S | S | . | . | trans | -147.7 | 131.3 | -177.1 | 179.7 | 0 | 0 | 0 | 0 | 111.2 | N201 F202 Q207 | N201-S205 PolarHBondContact O-N 2.84Å; F202-S205 WeakPolarHBondContact CA-O 3.21Å; S205-Q207 PolarHBondContact O-N 3.2Å; S205-Q207 PolarHBondContact OG-N 3.19Å | ||
| 206 | E | 70.9 | Confident | 85.8 | Confident | 148 Ų | 148 | 49 Ų | 49 | 69% | 0.692 | 25% | 0.245 | S | C | * | . | trans | -81.2 | 12.1 | 176.5 | -63.6 | -169 | 164.7 | 0 | 0 | 113.6 | E208 | E206-E208 PolarHBondContact O-N 3.14Š| ||
| 207 | Q | 71.1 | Confident | 86 | Confident | 91 Ų | 91 | 46.2 Ų | 46.2 | 43% | 0.425 | 23% | 0.23 | S | C | . | . | trans | -74.6 | 117.7 | -176.8 | -166.3 | 174.2 | -4 | 0 | 0 | 111.4 | S205 E209 | S205-Q207 PolarHBondContact O-N 3.2Å; S205-Q207 PolarHBondContact OG-N 3.19Å; Q207-E209 PolarHBondContact O-N 3.28Å | ||
| 208 | E | 77.8 | Confident | 86.1 | Confident | 69 Ų | 69 | 46 Ų | 46 | 32% | 0.322 | 23% | 0.229 | S | C | . | . | trans | -73.1 | 105.9 | 173.8 | -70.8 | -167.7 | 168.2 | 0 | 0 | 110.8 | R6 Q7 E206 | R6-E208 WeakPolarHBondContact CA-O 3.47Å; R6-E208 HydrophobicContact CG-CB 4.15Å; R6-E208 IonicContact CZ-OE2 2.96Å; R6-E208 VanDerWaalsContact CZ-OE2 3.29Å; R6-E208 IonicContact NE-OE2 2.86Å; R6-E208 PolarHBondContact NE-OE2 3.04Å; R6-E208 IonicContact NH2-OE2 3.17Å; R6-E208 PolarHBondContact NH2-OE2 3.08Å; Q7-E208 PolarHBondContact N-O 2.85Å; Q7-E208 VanDerWaalsContact N-O 3.1Å; E206-E208 PolarHBondContact O-N 3.14Å | ||
| 209 | E | 87.6 | Confident | 86.3 | Confident | 25 Ų | 25 | 45.4 Ų | 45.4 | 12% | 0.117 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 139.6 | 169.5 | -66.3 | -171.2 | -114 | 0 | 0 | 110.8 | Q7 N9 I198 Q207 | Q7-E209 HydrophobicContact CB-CG 4.34Å; Q7-E209 CarbonylContact O-C 3.44Å; Q7-E209 WeakPolarHBondContact O-CA 3.47Å; N9-E209 PolarHBondContact ND2-OE2 3.44Å; I198-E209 HydrophobicContact CD1-CB 3.55Å; I198-E209 HydrophobicContact CG1-CB 3.87Å; Q207-E209 PolarHBondContact O-N 3.28Å |
| 210 | N | 90.5 | Very high | 86.4 | Confident | 32 Ų | 32 | 41.5 Ų | 41.5 | 17% | 0.171 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 162.1 | 174.8 | -78.2 | -64.5 | 0 | 0 | 0 | 111.6 | Q7 F8 N9 G212 | Q7-N210 PolarHBondContact O-N 2.85Å; F8-N210 WeakPolarHBondContact CA-O 3.27Å; F8-N210 HydrophobicContact CD1-CB 4.19Å; F8-N210 HydrophobicContact CE1-CB 4.18Å; N9-N210 PolarHBondContact N-O 2.93Å; N210-G212 PolarHBondContact O-N 3.34Å |
| 211 | I | 93.5 | Very high | 86.3 | Confident | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 126.3 | 172.8 | -62.3 | -178.7 | 0 | 0 | 0 | 108.8 | L11 M191 F194 F195 V214 A263 | L11-I211 HydrophobicContact CD2-CD1 4.25Å; L11-I211 HydrophobicContact CD2-CG1 4.42Å; M191-I211 HydrophobicContact CE-CD1 3.99Å; M191-I211 HydrophobicContact CG-CD1 4.2Å; F194-I211 HydrophobicContact CD1-CD1 4.15Å; F194-I211 HydrophobicContact CD1-CG1 3.67Å; F194-I211 HydrophobicContact CE1-CB 4.47Å; F194-I211 HydrophobicContact CE1-CD1 4.31Å; F194-I211 HydrophobicContact CE1-CG1 3.38Å; F194-I211 HydrophobicContact CZ-CG1 4.09Å; F195-I211 HydrophobicContact CE2-CD1 3.62Å; F195-I211 HydrophobicContact CE2-CG1 4.27Å; F195-I211 HydrophobicContact CZ-CD1 3.76Å; F195-I211 HydrophobicContact CZ-CG1 3.96Å; I211-V214 HydrophobicContact CD1-CG2 4.33Å; I211-V214 HydrophobicContact CG2-CG2 3.46Å; I211-V214 VanDerWaalsContact CG2-CG2 3.46Å; I211-A263 HydrophobicContact CB-CB 3.99Å; I211-A263 HydrophobicContact CG2-CB 3.65Å |
| 212 | G | 92.5 | Very high | 86.2 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | -55.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | N9 N210 P264 M317 | N9-G212 PolarHBondContact O-N 3.05Å; N210-G212 PolarHBondContact O-N 3.34Å; G212-P264 WeakPolarHBondContact O-CD 3.46Å; G212-M317 WeakPolarHBondContact CA-SD 3.23Å; G212-M317 VanDerWaalsContact O-SD 3.4Å |
| 213 | C | 95.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 163.3 | 165.6 | 72.4 | 0 | 0 | 0 | 0 | 110 | N10 L11 P264 F266 | N10-C213 PolarHBondContact OD1-N 3.28Å; N10-C213 PolarHBondContact OD1-SG 3.42Å; N10-C213 VanDerWaalsContact OD1-SG 3.37Å; L11-C213 PolarHBondContact N-O 2.76Å; C213-P264 WeakPolarHBondContact CA-O 3.34Å; C213-P264 HydrophobicContact CB-CB 4.29Å; C213-F266 HydrophobicContact CB-CE2 4.48Å |
| 214 | V | 97.7 | Very high | 86.1 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 127.6 | 173.5 | -177 | 0 | 0 | 0 | 0 | 109.4 | L11 T187 M191 I211 C258 P264 F265 F266 | L11-V214 HydrophobicContact CB-CG1 4.48Å; L11-V214 HydrophobicContact CB-CG2 4.28Å; L11-V214 HydrophobicContact CD2-CG2 4.44Å; L11-V214 CarbonylContact O-C 3.58Å; L11-V214 WeakPolarHBondContact O-CA 3.27Å; T187-V214 HydrophobicContact CG2-CG1 3.48Å; T187-V214 VanDerWaalsContact CG2-CG1 3.48Å; M191-V214 HydrophobicContact CG-CG2 4.36Å; M191-V214 HydrophobicContact SD-CG1 4.43Å; M191-V214 HydrophobicContact SD-CG2 4.3Å; I211-V214 HydrophobicContact CD1-CG2 4.33Å; I211-V214 HydrophobicContact CG2-CG2 3.46Å; I211-V214 VanDerWaalsContact CG2-CG2 3.46Å; V214-C258 VanDerWaalsContact CG2-SG 3.55Å; V214-P264 PolarHBondContact N-O 2.93Å; V214-F265 HydrophobicContact CB-CD2 3.89Å; V214-F265 HydrophobicContact CB-CE2 4.42Å; V214-F265 HydrophobicContact CG1-CD2 3.95Å; V214-F265 HydrophobicContact CG1-CE2 3.98Å; V214-F266 PolarHBondContact O-N 3.03Å |
| 215 | V | 98 | Very high | 85.7 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 109.7 | 175.3 | -178.1 | 0 | 0 | 0 | 0 | 109.6 | L11 I12 A13 F43 V217 F266 F268 L307 | L11-V215 PolarHBondContact O-N 3.02Å; I12-V215 CarbonylContact C-O 3.59Å; I12-V215 VanDerWaalsContact CA-O 3.28Å; I12-V215 WeakPolarHBondContact CA-O 3.42Å; I12-V215 HydrophobicContact CB-CB 4.47Å; I12-V215 HydrophobicContact CD1-CB 4.48Å; I12-V215 HydrophobicContact CD1-CG1 4.31Å; I12-V215 HydrophobicContact CG1-CB 4.15Å; I12-V215 HydrophobicContact CG1-CG1 4.29Å; A13-V215 PolarHBondContact N-O 3.24Å; F43-V215 HydrophobicContact CE1-CB 4.14Å; F43-V215 HydrophobicContact CE1-CG2 3.83Å; F43-V215 HydrophobicContact CZ-CB 4.24Å; F43-V215 HydrophobicContact CZ-CG2 3.83Å; V215-V217 HydrophobicContact CG1-CG2 3.9Å; V215-F266 HydrophobicContact CG2-CB 4.27Å; V215-F266 HydrophobicContact CG2-CD2 4.09Å; V215-F268 HydrophobicContact CG1-CD2 3.86Å; V215-F268 HydrophobicContact CG1-CE2 3.75Å; V215-L307 HydrophobicContact CG2-CD1 3.65Å |
| 216 | S | 97.9 | Very high | 85 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 120 | 173.3 | -177.3 | 0 | 0 | 0 | 0 | 109.6 | N185 T187 F266 R267 F268 | N185-S216 PolarHBondContact ND2-OG 3.06Å; T187-S216 VanDerWaalsContact OG1-CB 3.29Å; T187-S216 WeakPolarHBondContact OG1-CB 3.19Å; T187-S216 PolarHBondContact OG1-OG 2.78Å; S216-F266 PolarHBondContact N-O 2.88Å; S216-R267 WeakPolarHBondContact O-CA 3.45Å; S216-R267 PolarHBondContact OG-NH1 3.29Å; S216-F268 PolarHBondContact O-N 3.13Å |
| 217 | V | 97.7 | Very high | 84.1 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 117.6 | -179.3 | -168.8 | 0 | 0 | 0 | 0 | 109.4 | I12 A13 F14 D15 L24 T27 V215 | I12-V217 HydrophobicContact CD1-CG2 4.44Å; I12-V217 HydrophobicContact CG1-CG2 4.49Å; A13-V217 PolarHBondContact O-N 2.91Å; F14-V217 HydrophobicContact CD1-CB 3.93Å; F14-V217 HydrophobicContact CD1-CG2 4.15Å; F14-V217 HydrophobicContact CE1-CB 4.25Å; F14-V217 HydrophobicContact CE1-CG2 3.99Å; D15-V217 PolarHBondContact N-O 2.76Å; L24-V217 HydrophobicContact CD2-CB 4.23Å; L24-V217 HydrophobicContact CD2-CG1 3.8Å; L24-V217 VanDerWaalsContact CD2-O 3.22Å; L24-V217 WeakPolarHBondContact CD2-O 3.48Å; T27-V217 HydrophobicContact CG2-CG1 3.55Å; V215-V217 HydrophobicContact CG1-CG2 3.9Å |
| 218 | G | 95.6 | Very high | 83.4 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -98.5 | 159 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | D15 L24 G220 F268 | D15-G218 VanDerWaalsContact OD2-CA 3.25Å; D15-G218 WeakPolarHBondContact OD2-CA 3.45Å; L24-G218 VanDerWaalsContact CD2-C 3.46Å; L24-G218 WeakPolarHBondContact CD2-O 3.38Å; G218-G220 PolarHBondContact O-N 2.82Å; G218-F268 PolarHBondContact N-O 3.4Å | ||
| 219 | T | 94.1 | Very high | 82.6 | Confident | 10 Ų | 10 | 50.9 Ų | 50.9 | 6% | 0.061 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -80.8 | 9.8 | 178.4 | 44.5 | 0 | 0 | 0 | 0 | 113.8 | G16 A20 L24 | G16-T219 WeakPolarHBondContact O-CG2 3.42Å; G16-T219 PolarHBondContact O-OG1 3.3Å; A20-T219 HydrophobicContact CB-CG2 4.26Å; L24-T219 HydrophobicContact CD1-CG2 3.84Å; L24-T219 HydrophobicContact CD2-CG2 3.88Å; L24-T219 HydrophobicContact CG-CG2 3.72Å |
| 220 | G | 91.5 | Very high | 81 | Confident | 8 Ų | 8 | 54.2 Ų | 54.2 | 8% | 0.082 | 31% | 0.309 | C | S | . | . | trans | 96.3 | 150.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | G218 S269 P270 | G218-G220 PolarHBondContact O-N 2.82Å; G220-S269 WeakPolarHBondContact CA-OG 3.43Å; G220-S269 PolarHBondContact N-OG 2.65Å; G220-P270 CarbonylContact C-O 3.53Å; G220-P270 WeakPolarHBondContact CA-O 3.41Å | ||
| 221 | I | 88.2 | Confident | 79.5 | Confident | 63 Ų | 63 | 64.1 Ų | 64.1 | 32% | 0.323 | 34% | 0.344 | S | S | . | . | B | Isolated β-bridge | trans | -96.2 | 107.3 | -179.9 | -56 | 172.6 | 0 | 0 | 0 | 107.7 | D247 P270 L272 | I221-D247 WeakPolarHBondContact CG1-OD2 3.37Å; I221-P270 PolarHBondContact N-O 2.75Å; I221-L272 PolarHBondContact O-N 2.86Å |
| 222 | S | 82.9 | Confident | 77.8 | Confident | 28 Ų | 28 | 72.2 Ų | 72.2 | 20% | 0.196 | 38% | 0.379 | C | S | . | . | trans | -62.7 | 144.5 | 172.9 | -74.6 | 0 | 0 | 0 | 0 | 110.9 | R224 | S222-R224 PolarHBondContact O-N 3.32Š| ||
| 223 | P | 79.6 | Confident | 76.3 | Confident | 57 Ų | 57 | 75.8 Ų | 75.8 | 37% | 0.37 | 40% | 0.398 | S | S | . | . | trans | -52.5 | 127.9 | 174.8 | -25.4 | 32.6 | 0 | 0 | 0 | 111.3 | Q225 L272 | P223-Q225 PolarHBondContact O-N 2.95Å; P223-Q225 VanDerWaalsContact O-N 3.07Å; P223-L272 WeakPolarHBondContact CD-O 3.44Å; P223-L272 VanDerWaalsContact CG-O 3.26Å; P223-L272 WeakPolarHBondContact CG-O 3.29Å | ||
| 224 | R | 67.7 | Low | 74.8 | Confident | 202 Ų | 202 | 78.6 Ų | 78.6 | 76% | 0.762 | 42% | 0.421 | S | S | * | . | trans | -60.8 | 115.1 | 178.8 | -74.7 | -173.9 | 175 | -175 | -2.7 | 109.7 | S222 I226 D248 | S222-R224 PolarHBondContact O-N 3.32Å; R224-I226 PolarHBondContact O-N 3.47Å; R224-D248 IonicContact NH2-OD1 3.94Å; R224-D248 IonicContact NH2-OD2 3.55Å | ||
| 225 | Q | 59 | Low | 73 | Confident | 157 Ų | 157 | 81.6 Ų | 81.6 | 73% | 0.734 | 45% | 0.446 | S | S | * | . | trans | -82.3 | 104.4 | 164.6 | -68.3 | -172.1 | -1.9 | 0 | 0 | 108.4 | P223 S227 | P223-Q225 PolarHBondContact O-N 2.95Å; P223-Q225 VanDerWaalsContact O-N 3.07Å; Q225-S227 PolarHBondContact O-N 3.03Å; Q225-S227 VanDerWaalsContact O-N 3.16Å | ||
| 226 | I | 56.1 | Low | 71 | Confident | 174 Ų | 174 | 86.8 Ų | 86.8 | 89% | 0.892 | 47% | 0.473 | S | S | * | . | trans | -69.9 | 111 | 171.9 | -57.4 | 173.4 | 0 | 0 | 0 | 107.1 | R224 | R224-I226 PolarHBondContact O-N 3.47Š| ||
| 227 | S | 53 | Low | 69.2 | Low | 88 Ų | 88 | 89 Ų | 89 | 62% | 0.615 | 49% | 0.487 | S | S | * | . | trans | -127.3 | 153.4 | 171.8 | 57.3 | 0 | 0 | 0 | 0 | 109.9 | Q225 | Q225-S227 PolarHBondContact O-N 3.03Å; Q225-S227 VanDerWaalsContact O-N 3.16Å | ||
| 228 | C | 55.8 | Low | 67.4 | Low | 123 Ų | 123 | 91.5 Ų | 91.5 | 83% | 0.831 | 50% | 0.5 | S | S | * | . | trans | -56.3 | 148.1 | 165.9 | -74.3 | 0 | 0 | 0 | 0 | 108.8 | P230 | C228-P230 VanDerWaalsContact O-CD 3.3Å; C228-P230 WeakPolarHBondContact O-CD 3.41Å | ||
| 229 | A | 60.9 | Low | 65.6 | Low | 98 Ų | 98 | 95.4 Ų | 95.4 | 81% | 0.81 | 52% | 0.524 | S | S | * | . | trans | -45.4 | 111.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 230 | P | 54.8 | Low | 63.9 | Low | 95 Ų | 95 | 96 Ų | 96 | 62% | 0.617 | 53% | 0.532 | S | S | * | . | trans | -63.7 | 146.6 | -173.5 | 23.5 | -31.5 | 0 | 0 | 0 | 108.1 | C228 F232 | C228-P230 VanDerWaalsContact O-CD 3.3Å; C228-P230 WeakPolarHBondContact O-CD 3.41Å; P230-F232 PolarHBondContact O-N 3.24Å | ||
| 231 | R | 58 | Low | 62.5 | Low | 240 Ų | 240 | 97.8 Ų | 97.8 | 91% | 0.906 | 54% | 0.539 | S | S | * | . | trans | -53 | 130.3 | 160.2 | -78.8 | -176 | 172.7 | 158.7 | -1.3 | 106.8 | N233 | R231-N233 PolarHBondContact O-N 3.41Š| ||
| 232 | F | 57.1 | Low | 61.2 | Low | 172 Ų | 172 | 95.2 Ų | 95.2 | 75% | 0.754 | 53% | 0.526 | S | S | * | . | trans | -50.5 | 109.6 | -177.2 | -171.7 | -91.4 | 0 | 0 | 0 | 109.4 | P230 A234 T237 | P230-F232 PolarHBondContact O-N 3.24Å; F232-A234 HydrophobicContact CE1-CB 4.35Å; F232-T237 HydrophobicContact CE2-CG2 4.12Å; F232-T237 HydrophobicContact CZ-CG2 4.47Å | ||
| 233 | N | 62.1 | Low | 60.1 | Low | 77 Ų | 77 | 96.9 Ų | 96.9 | 41% | 0.412 | 53% | 0.534 | S | S | . | . | trans | -121.1 | 107.2 | 175.3 | 178.4 | -31.7 | 0 | 0 | 0 | 105.9 | R231 A235 L236 T237 | R231-N233 PolarHBondContact O-N 3.41Å; N233-A235 PolarHBondContact O-N 3.46Å; N233-A235 VanDerWaalsContact O-N 3.08Å; N233-A235 PolarHBondContact OD1-N 3.15Å; N233-A235 VanDerWaalsContact OD1-N 3.14Å; N233-L236 HydrophobicContact CB-CB 4.15Å; N233-L236 HydrophobicContact CB-CD1 3.9Å; N233-L236 PolarHBondContact O-N 3.38Å; N233-T237 PolarHBondContact O-N 3.01Å; N233-T237 PolarHBondContact O-OG1 2.92Å | ||
| 234 | A | 62.2 | Low | 59.1 | Low | 58 Ų | 58 | 98.5 Ų | 98.5 | 48% | 0.479 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -52.2 | -36.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | F232 T237 L238 | F232-A234 HydrophobicContact CE1-CB 4.35Å; A234-T237 PolarHBondContact O-N 3.09Å; A234-L238 VanDerWaalsContact O-CG 3.31Å; A234-L238 WeakPolarHBondContact O-CG 3.24Å; A234-L238 PolarHBondContact O-N 3.1Å |
| 235 | A | 60.5 | Low | 58.8 | Low | 63 Ų | 63 | 91.5 Ų | 91.5 | 52% | 0.521 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.5 | -47.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | N233 T237 L238 T239 | N233-A235 PolarHBondContact O-N 3.46Å; N233-A235 VanDerWaalsContact O-N 3.08Å; N233-A235 PolarHBondContact OD1-N 3.15Å; N233-A235 VanDerWaalsContact OD1-N 3.14Å; A235-T237 VanDerWaalsContact C-N 3.28Å; A235-T237 PolarHBondContact O-N 3.08Å; A235-L238 PolarHBondContact O-N 3.14Å; A235-T239 PolarHBondContact O-N 3.46Å; A235-T239 PolarHBondContact O-OG1 3.42Å |
| 236 | L | 56.5 | Low | 59.5 | Low | 109 Ų | 109 | 84.1 Ų | 84.1 | 57% | 0.571 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.1 | -36.2 | 174.6 | -88.6 | 143.6 | 0 | 0 | 0 | 111.8 | N233 T239 G240 | N233-L236 HydrophobicContact CB-CB 4.15Å; N233-L236 HydrophobicContact CB-CD1 3.9Å; N233-L236 PolarHBondContact O-N 3.38Å; L236-T239 WeakPolarHBondContact CA-OG1 3.28Å; L236-T239 PolarHBondContact O-OG1 3.01Å; L236-G240 PolarHBondContact O-N 3.21Å |
| 237 | T | 59.6 | Low | 60.5 | Low | 47 Ų | 47 | 77 Ų | 77 | 29% | 0.288 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.1 | -42.9 | 176.1 | -56 | 0 | 0 | 0 | 0 | 111 | F232 N233 A234 A235 G240 I241 | F232-T237 HydrophobicContact CE2-CG2 4.12Å; F232-T237 HydrophobicContact CZ-CG2 4.47Å; N233-T237 PolarHBondContact O-N 3.01Å; N233-T237 PolarHBondContact O-OG1 2.92Å; A234-T237 PolarHBondContact O-N 3.09Å; A235-T237 VanDerWaalsContact C-N 3.28Å; A235-T237 PolarHBondContact O-N 3.08Å; T237-G240 PolarHBondContact O-N 2.94Å; T237-I241 HydrophobicContact CG2-CD1 3.96Å; T237-I241 HydrophobicContact CG2-CG1 4.47Å; T237-I241 WeakPolarHBondContact O-CD1 3.24Å; T237-I241 WeakPolarHBondContact O-CG1 3.38Å; T237-I241 PolarHBondContact O-N 3.04Å |
| 238 | L | 60.3 | Low | 61.6 | Low | 52 Ų | 52 | 77 Ų | 77 | 27% | 0.272 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.5 | -52 | 175.3 | -75 | 167.6 | 0 | 0 | 0 | 111.3 | L181 A234 A235 G240 I241 F242 | L181-L238 HydrophobicContact CD1-CD2 3.62Å; A234-L238 VanDerWaalsContact O-CG 3.31Å; A234-L238 WeakPolarHBondContact O-CG 3.24Å; A234-L238 PolarHBondContact O-N 3.1Å; A235-L238 PolarHBondContact O-N 3.14Å; L238-G240 PolarHBondContact O-N 3.12Å; L238-I241 WeakPolarHBondContact O-CB 3.4Å; L238-I241 PolarHBondContact O-N 3.28Å; L238-F242 WeakPolarHBondContact O-CD2 3.4Å; L238-F242 PolarHBondContact O-N 3.46Å |
| 239 | T | 58.8 | Low | 62.9 | Low | 82 Ų | 82 | 79.6 Ų | 79.6 | 50% | 0.503 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59 | -38.3 | 176.6 | 54.4 | 0 | 0 | 0 | 0 | 111.8 | A235 L236 F242 V243 | A235-T239 PolarHBondContact O-N 3.46Å; A235-T239 PolarHBondContact O-OG1 3.42Å; L236-T239 WeakPolarHBondContact CA-OG1 3.28Å; L236-T239 PolarHBondContact O-OG1 3.01Å; T239-F242 PolarHBondContact O-N 2.89Å; T239-V243 WeakPolarHBondContact O-CB 3.4Å; T239-V243 VanDerWaalsContact O-CG2 3.27Å; T239-V243 WeakPolarHBondContact O-CG2 3.32Å; T239-V243 PolarHBondContact O-N 3.48Å; T239-V243 VanDerWaalsContact O-N 3.15Å |
| 240 | G | 58 | Low | 64.1 | Low | 22 Ų | 22 | 76.5 Ų | 76.5 | 23% | 0.227 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L236 T237 L238 V243 T244 | L236-G240 PolarHBondContact O-N 3.21Å; T237-G240 PolarHBondContact O-N 2.94Å; L238-G240 PolarHBondContact O-N 3.12Å; G240-V243 PolarHBondContact O-N 3.35Å; G240-T244 WeakPolarHBondContact O-CA 3.48Å; G240-T244 VanDerWaalsContact O-CB 3.26Å; G240-T244 WeakPolarHBondContact O-CB 3.39Å; G240-T244 WeakPolarHBondContact O-CG2 3.43Å; G240-T244 PolarHBondContact O-N 2.84Å; G240-T244 PolarHBondContact O-OG1 3.46Å |
| 241 | I | 60.6 | Low | 65.8 | Low | 47 Ų | 47 | 72.7 Ų | 72.7 | 24% | 0.241 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -58.4 | -51.8 | 176.7 | -71.6 | 160.7 | 0 | 0 | 0 | 109.9 | L181 T237 L238 V243 T244 T245 | L181-I241 HydrophobicContact CD1-CD1 4.42Å; T237-I241 HydrophobicContact CG2-CD1 3.96Å; T237-I241 HydrophobicContact CG2-CG1 4.47Å; T237-I241 WeakPolarHBondContact O-CD1 3.24Å; T237-I241 WeakPolarHBondContact O-CG1 3.38Å; T237-I241 PolarHBondContact O-N 3.04Å; L238-I241 WeakPolarHBondContact O-CB 3.4Å; L238-I241 PolarHBondContact O-N 3.28Å; I241-V243 PolarHBondContact O-N 2.96Å; I241-V243 VanDerWaalsContact O-N 3.1Å; I241-T244 PolarHBondContact O-N 2.79Å; I241-T245 HydrophobicContact CB-CG2 4.34Å; I241-T245 HydrophobicContact CG2-CG2 3.99Å; I241-T245 WeakPolarHBondContact O-CB 3.04Å; I241-T245 WeakPolarHBondContact O-CG2 3.48Å; I241-T245 PolarHBondContact O-N 3.42Å; I241-T245 VanDerWaalsContact O-N 3.16Å; I241-T245 PolarHBondContact O-OG1 3.41Å |
| 242 | F | 62.4 | Low | 67.4 | Low | 8 Ų | 8 | 65.4 Ų | 65.4 | 4% | 0.035 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.8 | -17.8 | 179.6 | -73.5 | -77 | 0 | 0 | 0 | 114.9 | V165 D178 L181 N184 L238 T239 | V165-F242 HydrophobicContact CG1-CE2 4.2Å; V165-F242 HydrophobicContact CG1-CZ 4.4Å; D178-F242 HydrophobicContact CB-CE1 3.86Å; D178-F242 HydrophobicContact CB-CZ 3.97Å; D178-F242 WeakPolarHBondContact OD1-CE1 3.47Å; L181-F242 HydrophobicContact CB-CZ 4.37Å; N184-F242 WeakPolarHBondContact ND2-CA 3.46Å; N184-F242 PolarHBondContact ND2-O 2.94Å; L238-F242 WeakPolarHBondContact O-CD2 3.4Å; L238-F242 PolarHBondContact O-N 3.46Å; T239-F242 PolarHBondContact O-N 2.89Å |
| 243 | V | 59.3 | Low | 69.2 | Low | 63 Ų | 63 | 63.7 Ų | 63.7 | 38% | 0.382 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -105.8 | -31.8 | -179.3 | 176.1 | 0 | 0 | 0 | 0 | 112.3 | T239 G240 I241 | T239-V243 WeakPolarHBondContact O-CB 3.4Å; T239-V243 VanDerWaalsContact O-CG2 3.27Å; T239-V243 WeakPolarHBondContact O-CG2 3.32Å; T239-V243 PolarHBondContact O-N 3.48Å; T239-V243 VanDerWaalsContact O-N 3.15Å; G240-V243 PolarHBondContact O-N 3.35Å; I241-V243 PolarHBondContact O-N 2.96Å; I241-V243 VanDerWaalsContact O-N 3.1Å |
| 244 | T | 57.8 | Low | 70.8 | Confident | 91 Ų | 91 | 60 Ų | 60 | 56% | 0.558 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -105 | -17 | -168.5 | 64.6 | 0 | 0 | 0 | 0 | 114.2 | G240 I241 T246 | G240-T244 WeakPolarHBondContact O-CA 3.48Å; G240-T244 VanDerWaalsContact O-CB 3.26Å; G240-T244 WeakPolarHBondContact O-CB 3.39Å; G240-T244 WeakPolarHBondContact O-CG2 3.43Å; G240-T244 PolarHBondContact O-N 2.84Å; G240-T244 PolarHBondContact O-OG1 3.46Å; I241-T244 PolarHBondContact O-N 2.79Å; T244-T246 VanDerWaalsContact C-N 3.32Å; T244-T246 PolarHBondContact O-N 3.05Å |
| 245 | T | 61.9 | Low | 72.3 | Confident | 55 Ų | 55 | 62.1 Ų | 62.1 | 34% | 0.337 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -88.2 | 4.5 | -176.6 | 67.1 | 0 | 0 | 0 | 0 | 114.5 | I241 | I241-T245 HydrophobicContact CB-CG2 4.34Å; I241-T245 HydrophobicContact CG2-CG2 3.99Å; I241-T245 WeakPolarHBondContact O-CB 3.04Å; I241-T245 WeakPolarHBondContact O-CG2 3.48Å; I241-T245 PolarHBondContact O-N 3.42Å; I241-T245 VanDerWaalsContact O-N 3.16Å; I241-T245 PolarHBondContact O-OG1 3.41Å |
| 246 | T | 73.3 | Confident | 74 | Confident | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.018 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -86.2 | -28.6 | -179.1 | 47.6 | 0 | 0 | 0 | 0 | 113.4 | D15 N184 N185 T244 R267 | D15-T246 HydrophobicContact CB-CG2 4.08Å; D15-T246 VanDerWaalsContact OD2-CB 3.3Å; D15-T246 WeakPolarHBondContact OD2-CB 3.4Å; N184-T246 HydrophobicContact CB-CG2 3.99Å; N184-T246 WeakPolarHBondContact ND2-CG2 3.3Å; N185-T246 HydrophobicContact CB-CG2 4.39Å; N185-T246 PolarHBondContact ND2-O 3.03Å; T244-T246 VanDerWaalsContact C-N 3.32Å; T244-T246 PolarHBondContact O-N 3.05Å; T246-R267 PolarHBondContact O-NH2 3.36Å |
| 247 | D | 76.7 | Confident | 75.8 | Confident | 24 Ų | 24 | 63.9 Ų | 63.9 | 13% | 0.128 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -112.1 | -174.8 | 178.8 | -67 | -70 | 0 | 0 | 0 | 110.5 | I221 L251 R267 | I221-D247 WeakPolarHBondContact CG1-OD2 3.37Å; D247-L251 HydrophobicContact CB-CD1 4.09Å; D247-L251 WeakPolarHBondContact OD1-CD1 3.47Å; D247-R267 VanDerWaalsContact CG-NH2 3.31Å; D247-R267 IonicContact OD1-CZ 2.86Å; D247-R267 IonicContact OD1-NE 3.25Å; D247-R267 PolarHBondContact OD1-NE 2.95Å; D247-R267 IonicContact OD1-NH2 3.9Å; D247-R267 PolarHBondContact OD1-NH2 3.18Å; D247-R267 IonicContact OD2-NH2 2.71Å; D247-R267 PolarHBondContact OD2-NH2 3.05Å |
| 248 | D | 77.7 | Confident | 77.5 | Confident | 89 Ų | 89 | 61.7 Ų | 61.7 | 48% | 0.476 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | -128 | -173.4 | -55.1 | -33.7 | 0 | 0 | 0 | 114.3 | R224 V250 L251 D252 | R224-D248 IonicContact NH2-OD1 3.94Å; R224-D248 IonicContact NH2-OD2 3.55Å; D248-V250 VanDerWaalsContact C-N 3.28Å; D248-V250 PolarHBondContact O-N 2.87Å; D248-V250 VanDerWaalsContact O-N 3.15Å; D248-L251 WeakPolarHBondContact O-CB 3.38Å; D248-L251 PolarHBondContact O-N 3.07Å; D248-D252 PolarHBondContact O-N 2.87Å |
| 249 | Y | 83.2 | Confident | 79.1 | Confident | 176 Ų | 176 | 63.2 Ų | 63.2 | 69% | 0.69 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -61.9 | -28.8 | -164.6 | -65 | -70.8 | 0 | 0 | 0 | 114.7 | L251 D252 R253 | Y249-L251 VanDerWaalsContact C-N 3.3Å; Y249-D252 PolarHBondContact O-N 2.88Å; Y249-R253 WeakPolarHBondContact O-CD 3.13Å; Y249-R253 WeakPolarHBondContact O-CG 3.37Å; Y249-R253 PolarHBondContact O-N 3.25Å; Y249-R253 VanDerWaalsContact O-N 3.09Å |
| 250 | V | 86.4 | Confident | 80.7 | Confident | 34 Ų | 34 | 62.5 Ų | 62.5 | 21% | 0.206 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 176 | 177.6 | 0 | 0 | 0 | 0 | 109.7 | N185 Q188 D248 R253 C254 | N185-V250 HydrophobicContact CB-CG1 4.35Å; Q188-V250 HydrophobicContact CB-CG1 4.38Å; D248-V250 VanDerWaalsContact C-N 3.28Å; D248-V250 PolarHBondContact O-N 2.87Å; D248-V250 VanDerWaalsContact O-N 3.15Å; V250-R253 PolarHBondContact O-N 2.7Å; V250-C254 PolarHBondContact O-N 2.88Å; V250-C254 PolarHBondContact O-SG 3.21Å |
| 251 | L | 90.4 | Very high | 82.2 | Confident | 14 Ų | 14 | 64.8 Ų | 64.8 | 7% | 0.073 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -71 | -38.7 | 179.7 | -65.2 | 175.8 | 0 | 0 | 0 | 112.9 | N185 D247 D248 Y249 R253 C254 R255 F265 R267 | N185-L251 WeakPolarHBondContact ND2-CD2 3.3Å; D247-L251 HydrophobicContact CB-CD1 4.09Å; D247-L251 WeakPolarHBondContact OD1-CD1 3.47Å; D248-L251 WeakPolarHBondContact O-CB 3.38Å; D248-L251 PolarHBondContact O-N 3.07Å; Y249-L251 VanDerWaalsContact C-N 3.3Å; L251-R253 VanDerWaalsContact C-N 3.27Å; L251-R253 PolarHBondContact O-N 2.92Å; L251-C254 PolarHBondContact O-N 3.45Å; L251-R255 WeakPolarHBondContact O-CB 3.42Å; L251-R255 PolarHBondContact O-N 3.21Å; L251-F265 HydrophobicContact CD2-CE1 4.34Å; L251-F265 HydrophobicContact CD2-CZ 3.87Å; L251-R267 HydrophobicContact CD1-CG 3.72Å; L251-R267 HydrophobicContact CD2-CB 4.42Å; L251-R267 HydrophobicContact CD2-CG 4.02Å |
| 252 | D | 91.4 | Very high | 83.6 | Confident | 88 Ų | 88 | 64.7 Ų | 64.7 | 47% | 0.471 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.7 | -38.7 | 177 | -73 | -19.8 | 0 | 0 | 0 | 111.1 | D248 Y249 R255 A256 | D248-D252 PolarHBondContact O-N 2.87Å; Y249-D252 PolarHBondContact O-N 2.88Å; D252-R255 IonicContact OD1-NH1 2.62Å; D252-A256 VanDerWaalsContact O-CB 3.28Å; D252-A256 WeakPolarHBondContact O-CB 3.42Å; D252-A256 PolarHBondContact O-N 3.23Å |
| 253 | R | 93.4 | Very high | 85.1 | Confident | 136 Ų | 136 | 64.4 Ų | 64.4 | 51% | 0.513 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.6 | -53.5 | 171.9 | -68 | 165.8 | -169.9 | -178.4 | 2.8 | 110.8 | Y249 V250 L251 R255 A256 W257 | Y249-R253 WeakPolarHBondContact O-CD 3.13Å; Y249-R253 WeakPolarHBondContact O-CG 3.37Å; Y249-R253 PolarHBondContact O-N 3.25Å; Y249-R253 VanDerWaalsContact O-N 3.09Å; V250-R253 PolarHBondContact O-N 2.7Å; L251-R253 VanDerWaalsContact C-N 3.27Å; L251-R253 PolarHBondContact O-N 2.92Å; R253-R255 VanDerWaalsContact C-N 3.3Å; R253-R255 PolarHBondContact O-N 3.18Å; R253-A256 PolarHBondContact O-N 2.99Å; R253-W257 PolarHBondContact O-N 2.98Å |
| 254 | C | 95.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -56.4 | -44.7 | 179.7 | -67.5 | 0 | 0 | 0 | 0 | 112 | T187 M191 V250 L251 W257 C258 F265 | T187-C254 HydrophobicContact CG2-CB 4.41Å; M191-C254 HydrophobicContact SD-CB 4.13Å; V250-C254 PolarHBondContact O-N 2.88Å; V250-C254 PolarHBondContact O-SG 3.21Å; L251-C254 PolarHBondContact O-N 3.45Å; C254-W257 PolarHBondContact O-N 3.04Å; C254-C258 WeakPolarHBondContact O-CB 3.5Å; C254-C258 PolarHBondContact O-N 3.02Å; C254-C258 PolarHBondContact O-SG 3.08Å; C254-F265 HydrophobicContact CB-CD2 4.29Å; C254-F265 HydrophobicContact CB-CE2 3.57Å; C254-F265 HydrophobicContact CB-CZ 3.86Å |
| 255 | R | 95.6 | Very high | 88.6 | Confident | 102 Ų | 102 | 59 Ų | 59 | 39% | 0.385 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.4 | -49.4 | 177.4 | -174.8 | -179.2 | -69 | 123 | -0.5 | 111.2 | L251 D252 R253 W257 C258 D259 F265 | L251-R255 WeakPolarHBondContact O-CB 3.42Å; L251-R255 PolarHBondContact O-N 3.21Å; D252-R255 IonicContact OD1-NH1 2.62Å; R253-R255 VanDerWaalsContact C-N 3.3Å; R253-R255 PolarHBondContact O-N 3.18Å; R255-W257 VanDerWaalsContact C-N 3.3Å; R255-W257 PolarHBondContact O-N 3.21Å; R255-C258 PolarHBondContact O-N 3.37Å; R255-C258 VanDerWaalsContact O-N 3.15Å; R255-D259 WeakPolarHBondContact O-CB 3.46Å; R255-D259 VanDerWaalsContact O-CG 3.26Å; R255-D259 PolarHBondContact O-N 3.32Å; R255-F265 HydrophobicContact CB-CD1 3.97Å; R255-F265 HydrophobicContact CB-CE1 4.35Å; R255-F265 HydrophobicContact CB-CG 4.39Å; R255-F265 HydrophobicContact CG-CD1 4.29Å |
| 256 | A | 95.5 | Very high | 90.3 | Very high | 59 Ų | 59 | 57 Ų | 57 | 49% | 0.488 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.2 | -39.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D252 R253 S260 | D252-A256 VanDerWaalsContact O-CB 3.28Å; D252-A256 WeakPolarHBondContact O-CB 3.42Å; D252-A256 PolarHBondContact O-N 3.23Å; R253-A256 PolarHBondContact O-N 2.99Å; A256-S260 PolarHBondContact O-N 3.38Å |
| 257 | W | 94 | Very high | 91.3 | Very high | 150 Ų | 150 | 58 Ų | 58 | 57% | 0.568 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -64.1 | -46.6 | 173.6 | -81.4 | 109.2 | 0 | 0 | 0 | 111.8 | M191 R253 C254 R255 D259 S260 Q261 | M191-W257 HydrophobicContact CE-CB 3.65Å; R253-W257 PolarHBondContact O-N 2.98Å; C254-W257 PolarHBondContact O-N 3.04Å; R255-W257 VanDerWaalsContact C-N 3.3Å; R255-W257 PolarHBondContact O-N 3.21Å; W257-D259 PolarHBondContact O-N 2.94Å; W257-S260 WeakPolarHBondContact O-CB 3.28Å; W257-S260 PolarHBondContact O-N 3.41Å; W257-S260 PolarHBondContact O-OG 3.44Å; W257-Q261 WeakPolarHBondContact O-CG 3.38Å; W257-Q261 PolarHBondContact O-N 3.37Å |
| 258 | C | 95.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.3 | -44.3 | 176.8 | -67.9 | 0 | 0 | 0 | 0 | 112.1 | M191 V214 C254 R255 S260 Q261 N262 A263 F265 | M191-C258 WeakPolarHBondContact CE-SG 3.41Å; V214-C258 VanDerWaalsContact CG2-SG 3.55Å; C254-C258 WeakPolarHBondContact O-CB 3.5Å; C254-C258 PolarHBondContact O-N 3.02Å; C254-C258 PolarHBondContact O-SG 3.08Å; R255-C258 PolarHBondContact O-N 3.37Å; R255-C258 VanDerWaalsContact O-N 3.15Å; C258-S260 VanDerWaalsContact C-N 3.28Å; C258-S260 PolarHBondContact O-N 3.16Å; C258-Q261 CarbonylContact O-C 3.36Å; C258-Q261 WeakPolarHBondContact O-CA 3.45Å; C258-Q261 PolarHBondContact O-N 2.77Å; C258-N262 PolarHBondContact O-N 3.3Å; C258-N262 VanDerWaalsContact O-N 3.09Å; C258-A263 CarbonylContact C-O 3.55Å; C258-A263 HydrophobicContact CB-CB 4.28Å; C258-A263 WeakPolarHBondContact CB-O 3.38Å; C258-A263 PolarHBondContact O-N 2.93Å; C258-F265 HydrophobicContact CB-CB 3.84Å |
| 259 | D | 94 | Very high | 93.1 | Very high | 85 Ų | 85 | 53.1 Ų | 53.1 | 46% | 0.455 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.5 | -39.9 | 176.8 | -70.7 | -20.7 | 0 | 0 | 0 | 111.2 | R255 W257 Q261 N262 | R255-D259 WeakPolarHBondContact O-CB 3.46Å; R255-D259 VanDerWaalsContact O-CG 3.26Å; R255-D259 PolarHBondContact O-N 3.32Å; W257-D259 PolarHBondContact O-N 2.94Å; D259-Q261 PolarHBondContact O-N 2.97Å; D259-N262 PolarHBondContact O-N 3.17Å; D259-N262 VanDerWaalsContact O-N 3.11Å |
| 260 | S | 93.3 | Very high | 93.6 | Very high | 67 Ų | 67 | 44.8 Ų | 44.8 | 47% | 0.469 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.1 | -27 | 175.5 | 82.7 | 0 | 0 | 0 | 0 | 113.5 | A256 W257 C258 | A256-S260 PolarHBondContact O-N 3.38Å; W257-S260 WeakPolarHBondContact O-CB 3.28Å; W257-S260 PolarHBondContact O-N 3.41Å; W257-S260 PolarHBondContact O-OG 3.44Å; C258-S260 VanDerWaalsContact C-N 3.28Å; C258-S260 PolarHBondContact O-N 3.16Å |
| 261 | Q | 89.2 | Confident | 93.9 | Very high | 70 Ų | 70 | 51.1 Ų | 51.1 | 33% | 0.327 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 2.9 | 179.2 | -57.6 | -54.3 | -60.7 | 0 | 0 | 112.8 | F195 W257 C258 D259 A263 | F195-Q261 HydrophobicContact CZ-CG 4.11Å; W257-Q261 WeakPolarHBondContact O-CG 3.38Å; W257-Q261 PolarHBondContact O-N 3.37Å; C258-Q261 CarbonylContact O-C 3.36Å; C258-Q261 WeakPolarHBondContact O-CA 3.45Å; C258-Q261 PolarHBondContact O-N 2.77Å; D259-Q261 PolarHBondContact O-N 2.97Å; Q261-A263 HydrophobicContact CB-CB 4.47Å; Q261-A263 PolarHBondContact O-N 3.47Å |
| 262 | N | 90.2 | Very high | 94.1 | Very high | 44 Ų | 44 | 51 Ų | 51 | 24% | 0.235 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 29.8 | -170.1 | -59.6 | -78.2 | 0 | 0 | 0 | 113.8 | C258 D259 I321 | C258-N262 PolarHBondContact O-N 3.3Å; C258-N262 VanDerWaalsContact O-N 3.09Å; D259-N262 PolarHBondContact O-N 3.17Å; D259-N262 VanDerWaalsContact O-N 3.11Å; N262-I321 HydrophobicContact CB-CG1 4.13Å; N262-I321 HydrophobicContact CB-CG2 3.99Å; N262-I321 WeakPolarHBondContact O-CG1 3.43Å |
| 263 | A | 92.4 | Very high | 94.1 | Very high | 3 Ų | 3 | 50.1 Ų | 50.1 | 3% | 0.025 | 25% | 0.245 | C | C | . | . | trans | -94.7 | 129.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | I211 C258 Q261 F265 | I211-A263 HydrophobicContact CB-CB 3.99Å; I211-A263 HydrophobicContact CG2-CB 3.65Å; C258-A263 CarbonylContact C-O 3.55Å; C258-A263 HydrophobicContact CB-CB 4.28Å; C258-A263 WeakPolarHBondContact CB-O 3.38Å; C258-A263 PolarHBondContact O-N 2.93Å; Q261-A263 HydrophobicContact CB-CB 4.47Å; Q261-A263 PolarHBondContact O-N 3.47Å; A263-F265 PolarHBondContact O-N 3.01Å | ||
| 264 | P | 95.2 | Very high | 93.9 | Very high | 14 Ų | 14 | 49.7 Ų | 49.7 | 9% | 0.091 | 25% | 0.248 | C | C | . | . | trans | -60.6 | 131.2 | 170.4 | -22.9 | 34.6 | 0 | 0 | 0 | 112 | G212 C213 V214 F266 L310 F320 | G212-P264 WeakPolarHBondContact O-CD 3.46Å; C213-P264 WeakPolarHBondContact CA-O 3.34Å; C213-P264 HydrophobicContact CB-CB 4.29Å; V214-P264 PolarHBondContact N-O 2.93Å; P264-F266 HydrophobicContact CB-CE2 3.8Å; P264-F266 HydrophobicContact CB-CZ 4.27Å; P264-L310 HydrophobicContact CB-CD1 3.79Å; P264-L310 HydrophobicContact CG-CD1 3.75Å; P264-L310 HydrophobicContact CG-CD2 4.29Å; P264-F320 HydrophobicContact CG-CD1 3.86Å; P264-F320 HydrophobicContact CG-CE1 3.65Å; P264-F320 HydrophobicContact CG-CZ 4.46Å | ||
| 265 | F | 96.2 | Very high | 93.4 | Very high | 27 Ų | 27 | 52.8 Ų | 52.8 | 12% | 0.118 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 122.8 | 176.1 | 179.6 | -96.8 | 0 | 0 | 0 | 111 | T187 V214 L251 C254 R255 C258 A263 R267 | T187-F265 HydrophobicContact CG2-CE2 3.99Å; V214-F265 HydrophobicContact CB-CD2 3.89Å; V214-F265 HydrophobicContact CB-CE2 4.42Å; V214-F265 HydrophobicContact CG1-CD2 3.95Å; V214-F265 HydrophobicContact CG1-CE2 3.98Å; L251-F265 HydrophobicContact CD2-CE1 4.34Å; L251-F265 HydrophobicContact CD2-CZ 3.87Å; C254-F265 HydrophobicContact CB-CD2 4.29Å; C254-F265 HydrophobicContact CB-CE2 3.57Å; C254-F265 HydrophobicContact CB-CZ 3.86Å; R255-F265 HydrophobicContact CB-CD1 3.97Å; R255-F265 HydrophobicContact CB-CE1 4.35Å; R255-F265 HydrophobicContact CB-CG 4.39Å; R255-F265 HydrophobicContact CG-CD1 4.29Å; C258-F265 HydrophobicContact CB-CB 3.84Å; A263-F265 PolarHBondContact O-N 3.01Å; F265-R267 HydrophobicContact CE1-CB 3.96Å; F265-R267 HydrophobicContact CZ-CB 4.46Å |
| 266 | F | 96.7 | Very high | 93.1 | Very high | 12 Ų | 12 | 48.6 Ų | 48.6 | 5% | 0.053 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 129.2 | 176.1 | -60.5 | -88 | 0 | 0 | 0 | 110.5 | C213 V214 V215 S216 P264 F268 L306 L307 L310 | C213-F266 HydrophobicContact CB-CE2 4.48Å; V214-F266 PolarHBondContact O-N 3.03Å; V215-F266 HydrophobicContact CG2-CB 4.27Å; V215-F266 HydrophobicContact CG2-CD2 4.09Å; S216-F266 PolarHBondContact N-O 2.88Å; P264-F266 HydrophobicContact CB-CE2 3.8Å; P264-F266 HydrophobicContact CB-CZ 4.27Å; F266-F268 HydrophobicContact CB-CE1 4.28Å; F266-F268 HydrophobicContact CB-CE2 3.72Å; F266-F268 HydrophobicContact CB-CZ 3.57Å; F266-F268 HydrophobicContact CD1-CE1 4.33Å; F266-F268 AromaticContact CD1-CZ 3.7Å; F266-F268 HydrophobicContact CD1-CZ 3.7Å; F266-F268 HydrophobicContact CG-CE2 4.35Å; F266-F268 AromaticContact CG-CZ 3.92Å; F266-F268 HydrophobicContact CG-CZ 3.92Å; F266-L306 HydrophobicContact CE1-CB 4.42Å; F266-L306 HydrophobicContact CE1-CD2 4.11Å; F266-L306 HydrophobicContact CE1-CG 4.3Å; F266-L306 HydrophobicContact CZ-CB 4.45Å; F266-L306 HydrophobicContact CZ-CD2 3.98Å; F266-L306 HydrophobicContact CZ-CG 3.95Å; F266-L307 HydrophobicContact CD2-CD1 4.09Å; F266-L307 HydrophobicContact CE1-CB 4.22Å; F266-L307 HydrophobicContact CE2-CD1 4.03Å; F266-L307 HydrophobicContact CZ-CB 4.21Å; F266-L307 HydrophobicContact CZ-CD1 4.5Å; F266-L310 HydrophobicContact CE2-CD1 3.62Å; F266-L310 HydrophobicContact CZ-CD1 3.65Å |
| 267 | R | 96 | Very high | 92.7 | Very high | 25 Ų | 25 | 49 Ų | 49 | 9% | 0.094 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 119.3 | 167.3 | 175 | 62 | 169.2 | 177.2 | 4.2 | 109.6 | D15 N185 S216 T246 D247 L251 F265 | D15-R267 VanDerWaalsContact CG-NH1 3.26Å; D15-R267 IonicContact OD1-NH1 3.73Å; D15-R267 PolarHBondContact OD1-NH1 3.25Å; D15-R267 VanDerWaalsContact OD1-NH1 3.1Å; D15-R267 IonicContact OD2-CZ 2.72Å; D15-R267 IonicContact OD2-NH1 2.79Å; D15-R267 PolarHBondContact OD2-NH1 3.04Å; D15-R267 IonicContact OD2-NH2 3.49Å; D15-R267 PolarHBondContact OD2-NH2 3.46Å; N185-R267 PolarHBondContact ND2-NH1 3.44Å; S216-R267 WeakPolarHBondContact O-CA 3.45Å; S216-R267 PolarHBondContact OG-NH1 3.29Å; T246-R267 PolarHBondContact O-NH2 3.36Å; D247-R267 VanDerWaalsContact CG-NH2 3.31Å; D247-R267 IonicContact OD1-CZ 2.86Å; D247-R267 IonicContact OD1-NE 3.25Å; D247-R267 PolarHBondContact OD1-NE 2.95Å; D247-R267 IonicContact OD1-NH2 3.9Å; D247-R267 PolarHBondContact OD1-NH2 3.18Å; D247-R267 IonicContact OD2-NH2 2.71Å; D247-R267 PolarHBondContact OD2-NH2 3.05Å; L251-R267 HydrophobicContact CD1-CG 3.72Å; L251-R267 HydrophobicContact CD2-CB 4.42Å; L251-R267 HydrophobicContact CD2-CG 4.02Å; F265-R267 HydrophobicContact CE1-CB 3.96Å; F265-R267 HydrophobicContact CZ-CB 4.46Å |
| 268 | F | 96.2 | Very high | 92.3 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.009 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 97.9 | 174.8 | -57.6 | -49.4 | 0 | 0 | 0 | 110.1 | T27 I31 V215 S216 G218 F266 Y296 F297 D303 M304 L307 | T27-F268 HydrophobicContact CG2-CB 3.98Å; I31-F268 HydrophobicContact CD1-CD2 4.21Å; I31-F268 HydrophobicContact CD1-CE2 4.34Å; V215-F268 HydrophobicContact CG1-CD2 3.86Å; V215-F268 HydrophobicContact CG1-CE2 3.75Å; S216-F268 PolarHBondContact O-N 3.13Å; G218-F268 PolarHBondContact N-O 3.4Å; F266-F268 HydrophobicContact CB-CE1 4.28Å; F266-F268 HydrophobicContact CB-CE2 3.72Å; F266-F268 HydrophobicContact CB-CZ 3.57Å; F266-F268 HydrophobicContact CD1-CE1 4.33Å; F266-F268 AromaticContact CD1-CZ 3.7Å; F266-F268 HydrophobicContact CD1-CZ 3.7Å; F266-F268 HydrophobicContact CG-CE2 4.35Å; F266-F268 AromaticContact CG-CZ 3.92Å; F266-F268 HydrophobicContact CG-CZ 3.92Å; F268-Y296 HydrophobicContact CD1-CE1 4.43Å; F268-F297 HydrophobicContact CB-CE1 4.38Å; F268-F297 HydrophobicContact CB-CZ 3.75Å; F268-F297 AromaticContact CD1-CE1 3.58Å; F268-F297 HydrophobicContact CD1-CE1 3.58Å; F268-F297 AromaticContact CD1-CZ 3.85Å; F268-F297 HydrophobicContact CD1-CZ 3.85Å; F268-F297 HydrophobicContact CD2-CZ 4.45Å; F268-F297 HydrophobicContact CE1-CE1 4.03Å; F268-F297 AromaticContact CG-CE1 3.92Å; F268-F297 HydrophobicContact CG-CE1 3.92Å; F268-F297 AromaticContact CG-CZ 3.74Å; F268-F297 HydrophobicContact CG-CZ 3.74Å; F268-D303 HydrophobicContact CE1-CB 4.26Å; F268-M304 HydrophobicContact CD1-CE 4.07Å; F268-M304 HydrophobicContact CD2-CE 4.3Å; F268-M304 HydrophobicContact CE1-CE 3.3Å; F268-M304 HydrophobicContact CE2-CE 3.57Å; F268-M304 HydrophobicContact CZ-CE 3.01Å; F268-L307 HydrophobicContact CE2-CD2 3.85Å; F268-L307 HydrophobicContact CZ-CD2 4.17Å |
| 269 | S | 94.7 | Very high | 91.9 | Very high | 8 Ų | 8 | 45.3 Ų | 45.3 | 6% | 0.056 | 24% | 0.242 | C | C | . | . | trans | -139.9 | 102.5 | 174 | -167.2 | 0 | 0 | 0 | 0 | 107.8 | G220 | G220-S269 WeakPolarHBondContact CA-OG 3.43Å; G220-S269 PolarHBondContact N-OG 2.65Å | ||
| 270 | P | 94.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -68.8 | 147.2 | -177.5 | 28.5 | -34.3 | 0 | 0 | 0 | 110.9 | V23 G220 I221 L272 T293 Y296 | V23-P270 HydrophobicContact CG1-CG 3.43Å; V23-P270 VanDerWaalsContact CG1-CG 3.43Å; G220-P270 CarbonylContact C-O 3.53Å; G220-P270 WeakPolarHBondContact CA-O 3.41Å; I221-P270 PolarHBondContact N-O 2.75Å; P270-L272 HydrophobicContact CG-CD2 4.37Å; P270-L272 PolarHBondContact O-N 3.08Å; P270-T293 HydrophobicContact CG-CG2 4.26Å; P270-Y296 HydrophobicContact CB-CD1 4.14Å; P270-Y296 HydrophobicContact CB-CD2 4.24Å; P270-Y296 HydrophobicContact CB-CG 3.75Å |
| 271 | K | 92.9 | Very high | 91.5 | Very high | 167 Ų | 167 | 42 Ų | 42 | 73% | 0.726 | 22% | 0.222 | S | C | * | . | B | Isolated β-bridge | trans | -74.1 | 123.5 | 167.9 | -66.7 | -178.1 | -179.6 | -179.8 | 0 | 108.1 | ||
| 272 | L | 93 | Very high | 91.6 | Very high | 13 Ų | 13 | 41.9 Ų | 41.9 | 7% | 0.068 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -84.1 | 144.6 | 179.4 | -55 | -178.8 | 0 | 0 | 0 | 110.1 | V23 I221 P223 P270 F274 L276 A289 D292 | V23-L272 HydrophobicContact CG2-CD2 4.13Å; I221-L272 PolarHBondContact O-N 2.86Å; P223-L272 WeakPolarHBondContact CD-O 3.44Å; P223-L272 VanDerWaalsContact CG-O 3.26Å; P223-L272 WeakPolarHBondContact CG-O 3.29Å; P270-L272 HydrophobicContact CG-CD2 4.37Å; P270-L272 PolarHBondContact O-N 3.08Å; L272-F274 VanDerWaalsContact C-N 3.34Å; L272-F274 WeakPolarHBondContact CB-O 3.46Å; L272-L276 HydrophobicContact CD1-CB 3.98Å; L272-L276 HydrophobicContact CD1-CD2 4.43Å; L272-A289 HydrophobicContact CD2-CB 4.2Å; L272-D292 WeakPolarHBondContact CA-OD2 3.25Å; L272-D292 HydrophobicContact CD2-CB 4.38Å |
| 273 | S | 91.5 | Very high | 91.7 | Very high | 68 Ų | 68 | 45 Ų | 45 | 48% | 0.476 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -69.7 | -34.6 | 177.2 | -71.9 | 0 | 0 | 0 | 0 | 111.5 | D292 | S273-D292 WeakPolarHBondContact CB-OD2 3.32Å; S273-D292 PolarHBondContact N-OD2 3.35Å; S273-D292 PolarHBondContact OG-OD1 2.91Å; S273-D292 PolarHBondContact OG-OD2 3.22Å |
| 274 | F | 88.9 | Confident | 91.8 | Very high | 128 Ų | 128 | 50.6 Ų | 50.6 | 56% | 0.561 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -129.4 | 151.8 | 179.8 | -56.4 | -75 | 0 | 0 | 0 | 111.1 | L272 L276 | L272-F274 VanDerWaalsContact C-N 3.34Å; L272-F274 WeakPolarHBondContact CB-O 3.46Å; F274-L276 PolarHBondContact O-N 3.21Å |
| 275 | P | 86.5 | Confident | 91.7 | Very high | 64 Ų | 64 | 51.4 Ų | 51.4 | 42% | 0.416 | 27% | 0.271 | S | S | . | . | trans | -58.5 | 133.8 | 169.7 | -20.9 | 32.7 | 0 | 0 | 0 | 110.5 | P277 | P275-P277 WeakPolarHBondContact O-CD 3.28Š| ||
| 276 | L | 88.3 | Confident | 91.6 | Very high | 15 Ų | 15 | 50.1 Ų | 50.1 | 8% | 0.079 | 27% | 0.266 | C | S | . | . | trans | -113.9 | 102.6 | -179.9 | -165.2 | 68 | 0 | 0 | 0 | 110 | A20 L272 F274 T280 L286 A289 | A20-L276 HydrophobicContact CB-CD2 3.74Å; L272-L276 HydrophobicContact CD1-CB 3.98Å; L272-L276 HydrophobicContact CD1-CD2 4.43Å; F274-L276 PolarHBondContact O-N 3.21Å; L276-T280 HydrophobicContact CD1-CG2 3.76Å; L276-T280 HydrophobicContact CG-CG2 4.18Å; L276-L286 HydrophobicContact CD1-CD2 4.35Å; L276-L286 HydrophobicContact CD2-CD2 4.46Å; L276-A289 HydrophobicContact CD2-CB 3.93Å | ||
| 277 | P | 86.7 | Confident | 91.6 | Very high | 66 Ų | 66 | 52.9 Ų | 52.9 | 43% | 0.429 | 28% | 0.284 | S | S | . | . | trans | -61.4 | 147.1 | 177.1 | -23.6 | 33.8 | 0 | 0 | 0 | 112.6 | P275 D279 T280 | P275-P277 WeakPolarHBondContact O-CD 3.28Å; P277-D279 PolarHBondContact O-N 2.9Å; P277-T280 WeakPolarHBondContact O-CG2 3.43Å; P277-T280 PolarHBondContact O-N 3.21Å | ||
| 278 | L | 86 | Confident | 91.6 | Very high | 30 Ų | 30 | 54.9 Ų | 54.9 | 16% | 0.157 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -37.6 | -179.6 | -169.9 | 86.6 | 0 | 0 | 0 | 113.1 | M19 V165 | M19-L278 WeakPolarHBondContact CB-O 3.4Å; M19-L278 WeakPolarHBondContact CG-O 3.24Å; M19-L278 PolarHBondContact N-O 3.15Å; V165-L278 HydrophobicContact CB-CD2 4.34Å; V165-L278 HydrophobicContact CG1-CD2 3.82Å; V165-L278 HydrophobicContact CG2-CD2 3.82Å |
| 279 | D | 87 | Confident | 91.6 | Very high | 43 Ų | 43 | 55 Ų | 55 | 23% | 0.23 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | 21.3 | -173.7 | 67 | -55.7 | 0 | 0 | 0 | 112.7 | F80 R168 P277 T281 | F80-D279 HydrophobicContact CD1-CB 3.75Å; F80-D279 HydrophobicContact CE1-CB 4.09Å; F80-D279 HydrophobicContact CG-CB 4.02Å; R168-D279 VanDerWaalsContact CZ-CG 3.43Å; R168-D279 IonicContact CZ-OD1 2.64Å; R168-D279 IonicContact CZ-OD2 3.64Å; R168-D279 VanDerWaalsContact NH1-CG 3.32Å; R168-D279 IonicContact NH1-OD2 3.38Å; R168-D279 PolarHBondContact NH1-OD2 2.92Å; R168-D279 IonicContact NH2-OD1 2.67Å; R168-D279 PolarHBondContact NH2-OD1 3.32Å; R168-D279 IonicContact NH2-OD2 2.97Å; R168-D279 PolarHBondContact NH2-OD2 3.34Å; P277-D279 PolarHBondContact O-N 2.9Å; D279-T281 PolarHBondContact O-N 3.02Å |
| 280 | T | 88.9 | Confident | 91.7 | Very high | 16 Ų | 16 | 55.2 Ų | 55.2 | 10% | 0.098 | 30% | 0.298 | C | S | . | . | trans | -58.6 | 131.5 | -177.4 | -172.5 | 0 | 0 | 0 | 0 | 111.8 | M19 L276 P277 D282 L286 | M19-T280 HydrophobicContact CB-CG2 3.82Å; M19-T280 HydrophobicContact CG-CG2 4.46Å; M19-T280 WeakPolarHBondContact CG-O 3.37Å; L276-T280 HydrophobicContact CD1-CG2 3.76Å; L276-T280 HydrophobicContact CG-CG2 4.18Å; P277-T280 WeakPolarHBondContact O-CG2 3.43Å; P277-T280 PolarHBondContact O-N 3.21Å; T280-D282 PolarHBondContact OG1-N 3.46Å; T280-L286 HydrophobicContact CG2-CD2 3.76Å; T280-L286 HydrophobicContact CG2-CG 4.33Å | ||
| 281 | T | 90.2 | Very high | 91.9 | Very high | 66 Ų | 66 | 61.6 Ų | 61.6 | 41% | 0.405 | 32% | 0.323 | S | S | . | . | trans | -103.2 | -0 | 172 | 62.2 | 0 | 0 | 0 | 0 | 112.4 | K76 F80 L81 D279 E283 | K76-T281 HydrophobicContact CB-CG2 4.44Å; F80-T281 HydrophobicContact CB-CG2 3.95Å; L81-T281 HydrophobicContact CD2-CG2 4.49Å; D279-T281 PolarHBondContact O-N 3.02Å; T281-E283 PolarHBondContact O-N 3.33Å | ||
| 282 | D | 91.8 | Very high | 92.1 | Very high | 69 Ų | 69 | 54.3 Ų | 54.3 | 37% | 0.369 | 29% | 0.292 | S | S | . | . | trans | -78 | 113 | 179.5 | 178.6 | 48.7 | 0 | 0 | 0 | 110.8 | T280 L284 S285 L286 | T280-D282 PolarHBondContact OG1-N 3.46Å; D282-L284 VanDerWaalsContact C-N 3.32Å; D282-L284 PolarHBondContact O-N 2.94Å; D282-S285 PolarHBondContact O-N 3.25Å; D282-S285 VanDerWaalsContact OD2-CB 3.24Å; D282-S285 WeakPolarHBondContact OD2-CB 3.45Å; D282-S285 PolarHBondContact OD2-N 3.19Å; D282-S285 PolarHBondContact OD2-OG 2.91Å; D282-L286 PolarHBondContact O-N 3.18Å | ||
| 283 | E | 92.3 | Very high | 92.3 | Very high | 108 Ų | 108 | 53.7 Ų | 53.7 | 51% | 0.505 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.2 | -35.3 | -177.4 | -168.7 | 169.4 | 115.9 | 0 | 0 | 112.1 | F73 K76 T281 L286 V287 | F73-E283 HydrophobicContact CD1-CG 4.15Å; F73-E283 HydrophobicContact CE1-CG 3.9Å; K76-E283 IonicContact NZ-OE2 2.77Å; T281-E283 PolarHBondContact O-N 3.33Å; E283-L286 PolarHBondContact O-N 3.23Å; E283-V287 WeakPolarHBondContact O-CG2 3.43Å; E283-V287 PolarHBondContact O-N 3.09Å |
| 284 | L | 94.4 | Very high | 92.6 | Very high | 122 Ų | 122 | 52.7 Ų | 52.7 | 64% | 0.639 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -64.2 | -44.6 | 179.3 | -67.6 | 176.1 | 0 | 0 | 0 | 111.2 | D282 L286 V287 D288 | D282-L284 VanDerWaalsContact C-N 3.32Å; D282-L284 PolarHBondContact O-N 2.94Å; L284-L286 VanDerWaalsContact C-N 3.26Å; L284-L286 PolarHBondContact O-N 3.28Å; L284-V287 PolarHBondContact O-N 3.42Å; L284-V287 VanDerWaalsContact O-N 3.09Å; L284-D288 PolarHBondContact O-N 2.85Å |
| 285 | S | 93.3 | Very high | 92.9 | Very high | 30 Ų | 30 | 49.6 Ų | 49.6 | 21% | 0.21 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.5 | -37.2 | 174.7 | -64.4 | 0 | 0 | 0 | 0 | 112.9 | D282 A289 | D282-S285 PolarHBondContact O-N 3.25Å; D282-S285 VanDerWaalsContact OD2-CB 3.24Å; D282-S285 WeakPolarHBondContact OD2-CB 3.45Å; D282-S285 PolarHBondContact OD2-N 3.19Å; D282-S285 PolarHBondContact OD2-OG 2.91Å; S285-A289 WeakPolarHBondContact O-CB 3.48Å; S285-A289 PolarHBondContact O-N 3.01Å |
| 286 | L | 94.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70 | -39.5 | 176.4 | -61.7 | 174.3 | 0 | 0 | 0 | 111.8 | M19 V22 F73 K76 L276 T280 D282 E283 L284 A289 C290 | M19-L286 HydrophobicContact CB-CD2 4.15Å; M19-L286 HydrophobicContact CE-CD1 3.56Å; M19-L286 HydrophobicContact CE-CD2 4.13Å; V22-L286 HydrophobicContact CG1-CB 4.46Å; V22-L286 HydrophobicContact CG1-CD2 4.11Å; F73-L286 HydrophobicContact CD1-CD1 4Å; F73-L286 HydrophobicContact CE1-CB 3.75Å; F73-L286 HydrophobicContact CE1-CD1 3.87Å; F73-L286 HydrophobicContact CE1-CG 4.48Å; F73-L286 HydrophobicContact CZ-CB 3.86Å; K76-L286 HydrophobicContact CD-CD1 4.16Å; L276-L286 HydrophobicContact CD1-CD2 4.35Å; L276-L286 HydrophobicContact CD2-CD2 4.46Å; T280-L286 HydrophobicContact CG2-CD2 3.76Å; T280-L286 HydrophobicContact CG2-CG 4.33Å; D282-L286 PolarHBondContact O-N 3.18Å; E283-L286 PolarHBondContact O-N 3.23Å; L284-L286 VanDerWaalsContact C-N 3.26Å; L284-L286 PolarHBondContact O-N 3.28Å; L286-A289 PolarHBondContact O-N 3.18Å; L286-C290 PolarHBondContact O-N 3.11Å; L286-C290 PolarHBondContact O-SG 2.57Å |
| 287 | V | 95.8 | Very high | 93.8 | Very high | 71 Ų | 71 | 47.9 Ų | 47.9 | 43% | 0.43 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.9 | -41.8 | 176.4 | 172 | 0 | 0 | 0 | 0 | 110.9 | F73 E283 L284 C290 W291 | F73-V287 HydrophobicContact CE1-CG2 4.46Å; F73-V287 HydrophobicContact CZ-CG2 4.42Å; E283-V287 WeakPolarHBondContact O-CG2 3.43Å; E283-V287 PolarHBondContact O-N 3.09Å; L284-V287 PolarHBondContact O-N 3.42Å; L284-V287 VanDerWaalsContact O-N 3.09Å; V287-C290 WeakPolarHBondContact O-CB 3.43Å; V287-C290 PolarHBondContact O-N 2.92Å; V287-W291 PolarHBondContact O-N 2.82Å |
| 288 | D | 96.3 | Very high | 94.2 | Very high | 67 Ų | 67 | 52.3 Ų | 52.3 | 36% | 0.358 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 175.1 | -73.7 | -20.8 | 0 | 0 | 0 | 110.9 | L284 C290 W291 D292 | L284-D288 PolarHBondContact O-N 2.85Å; D288-C290 VanDerWaalsContact C-N 3.3Å; D288-C290 PolarHBondContact O-N 3.47Å; D288-W291 WeakPolarHBondContact O-CA 3.17Å; D288-W291 WeakPolarHBondContact O-CB 3.09Å; D288-W291 PolarHBondContact O-N 3.36Å; D288-D292 PolarHBondContact O-N 3.09Å |
| 289 | A | 96.1 | Very high | 94.6 | Very high | 3 Ų | 3 | 59.7 Ų | 59.7 | 3% | 0.025 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62 | -36.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V22 V23 L272 L276 S285 L286 W291 T293 | V22-A289 HydrophobicContact CG1-CB 4.35Å; V23-A289 HydrophobicContact CG2-CB 3.99Å; L272-A289 HydrophobicContact CD2-CB 4.2Å; L276-A289 HydrophobicContact CD2-CB 3.93Å; S285-A289 WeakPolarHBondContact O-CB 3.48Å; S285-A289 PolarHBondContact O-N 3.01Å; L286-A289 PolarHBondContact O-N 3.18Å; A289-W291 VanDerWaalsContact C-N 3.33Å; A289-T293 PolarHBondContact O-N 2.85Å; A289-T293 VanDerWaalsContact O-N 3.09Å; A289-T293 PolarHBondContact O-OG1 3.38Å |
| 290 | C | 97 | Very high | 94.9 | Very high | 13 Ų | 13 | 61.3 Ų | 61.3 | 9% | 0.088 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 171.6 | -66.5 | 0 | 0 | 0 | 0 | 111.6 | V22 Q26 L286 V287 D288 T293 I294 | V22-C290 WeakPolarHBondContact CG2-SG 3.46Å; Q26-C290 HydrophobicContact CG-CB 4.17Å; L286-C290 PolarHBondContact O-N 3.11Å; L286-C290 PolarHBondContact O-SG 2.57Å; V287-C290 WeakPolarHBondContact O-CB 3.43Å; V287-C290 PolarHBondContact O-N 2.92Å; D288-C290 VanDerWaalsContact C-N 3.3Å; D288-C290 PolarHBondContact O-N 3.47Å; C290-T293 WeakPolarHBondContact O-CB 3.44Å; C290-T293 PolarHBondContact O-N 3.17Å; C290-I294 WeakPolarHBondContact O-CG1 3.35Å; C290-I294 PolarHBondContact O-N 2.89Å; C290-I294 VanDerWaalsContact O-N 3.1Å |
| 291 | W | 97.7 | Very high | 95.1 | Very high | 134 Ų | 134 | 62.8 Ų | 62.8 | 51% | 0.508 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.7 | -46.3 | 178.8 | -178.2 | -100.9 | 0 | 0 | 0 | 112.1 | V287 D288 A289 T293 I294 E295 | V287-W291 PolarHBondContact O-N 2.82Å; D288-W291 WeakPolarHBondContact O-CA 3.17Å; D288-W291 WeakPolarHBondContact O-CB 3.09Å; D288-W291 PolarHBondContact O-N 3.36Å; A289-W291 VanDerWaalsContact C-N 3.33Å; W291-T293 PolarHBondContact O-N 3.07Å; W291-I294 WeakPolarHBondContact O-CB 3.22Å; W291-I294 PolarHBondContact O-N 3.33Å; W291-E295 PolarHBondContact O-N 3.37Å |
| 292 | D | 97.3 | Very high | 95.3 | Very high | 15 Ų | 15 | 65.3 Ų | 65.3 | 8% | 0.08 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -55.9 | -40 | 174.7 | -70.1 | -29 | 0 | 0 | 0 | 111.4 | L272 S273 D288 E295 Y296 | L272-D292 WeakPolarHBondContact CA-OD2 3.25Å; L272-D292 HydrophobicContact CD2-CB 4.38Å; S273-D292 WeakPolarHBondContact CB-OD2 3.32Å; S273-D292 PolarHBondContact N-OD2 3.35Å; S273-D292 PolarHBondContact OG-OD1 2.91Å; S273-D292 PolarHBondContact OG-OD2 3.22Å; D288-D292 PolarHBondContact O-N 3.09Å; D292-E295 PolarHBondContact O-N 3.01Å; D292-Y296 WeakPolarHBondContact O-CB 3.45Å; D292-Y296 PolarHBondContact O-N 3.27Å |
| 293 | T | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.2 | -45.8 | 175.7 | -54.6 | 0 | 0 | 0 | 0 | 111.3 | Q26 T27 I30 P270 A289 C290 W291 Y296 F297 | Q26-T293 HydrophobicContact CB-CG2 4.08Å; Q26-T293 HydrophobicContact CG-CG2 3.9Å; T27-T293 WeakPolarHBondContact OG1-CG2 3.2Å; I30-T293 HydrophobicContact CD1-CG2 4.22Å; P270-T293 HydrophobicContact CG-CG2 4.26Å; A289-T293 PolarHBondContact O-N 2.85Å; A289-T293 VanDerWaalsContact O-N 3.09Å; A289-T293 PolarHBondContact O-OG1 3.38Å; C290-T293 WeakPolarHBondContact O-CB 3.44Å; C290-T293 PolarHBondContact O-N 3.17Å; W291-T293 PolarHBondContact O-N 3.07Å; T293-Y296 WeakPolarHBondContact O-CB 3.38Å; T293-Y296 PolarHBondContact O-N 2.95Å; T293-F297 HydrophobicContact CG2-CD2 4.12Å; T293-F297 HydrophobicContact CG2-CE2 4.03Å; T293-F297 VanDerWaalsContact O-CD2 3.28Å; T293-F297 WeakPolarHBondContact O-CD2 3.29Å; T293-F297 PolarHBondContact O-N 3.49Å |
| 294 | I | 97.5 | Very high | 95.4 | Very high | 46 Ų | 46 | 59.5 Ų | 59.5 | 24% | 0.236 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.6 | -43.9 | 176.8 | -66.6 | 165.3 | 0 | 0 | 0 | 110.8 | Q26 I30 C290 W291 F297 R298 | Q26-I294 HydrophobicContact CG-CG1 4.31Å; I30-I294 HydrophobicContact CD1-CG1 4.24Å; C290-I294 WeakPolarHBondContact O-CG1 3.35Å; C290-I294 PolarHBondContact O-N 2.89Å; C290-I294 VanDerWaalsContact O-N 3.1Å; W291-I294 WeakPolarHBondContact O-CB 3.22Å; W291-I294 PolarHBondContact O-N 3.33Å; I294-F297 PolarHBondContact O-N 2.95Å; I294-R298 WeakPolarHBondContact O-CG 3.47Å; I294-R298 PolarHBondContact O-N 2.64Å; I294-R298 VanDerWaalsContact O-N 3.09Å |
| 295 | E | 97 | Very high | 95.4 | Very high | 64 Ų | 64 | 57.5 Ų | 57.5 | 30% | 0.299 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.7 | -42.1 | 178 | -174.2 | 176.1 | 158 | 0 | 0 | 112.1 | W291 D292 F297 R298 R299 | W291-E295 PolarHBondContact O-N 3.37Å; D292-E295 PolarHBondContact O-N 3.01Å; E295-F297 PolarHBondContact O-N 2.83Å; E295-R298 PolarHBondContact O-N 3.07Å; E295-R299 PolarHBondContact O-N 2.67Å; E295-R299 IonicContact OE1-CZ 2.97Å; E295-R299 IonicContact OE1-NE 3.96Å; E295-R299 IonicContact OE1-NH1 3.12Å; E295-R299 IonicContact OE1-NH2 3.59Å; E295-R299 PolarHBondContact OE1-NH2 3.11Å |
| 296 | Y | 96.7 | Very high | 95.4 | Very high | 39 Ų | 39 | 58.8 Ų | 58.8 | 15% | 0.153 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -54.9 | -49.2 | 176 | 171 | -100.2 | 0 | 0 | 0 | 111.9 | F268 P270 D292 T293 R299 K300 | F268-Y296 HydrophobicContact CD1-CE1 4.43Å; P270-Y296 HydrophobicContact CB-CD1 4.14Å; P270-Y296 HydrophobicContact CB-CD2 4.24Å; P270-Y296 HydrophobicContact CB-CG 3.75Å; D292-Y296 WeakPolarHBondContact O-CB 3.45Å; D292-Y296 PolarHBondContact O-N 3.27Å; T293-Y296 WeakPolarHBondContact O-CB 3.38Å; T293-Y296 PolarHBondContact O-N 2.95Å; Y296-R299 PolarHBondContact O-N 2.9Å; Y296-K300 HydrophobicContact CE1-CD 4.2Å; Y296-K300 HydrophobicContact CE2-CD 3.92Å; Y296-K300 PolarHBondContact OH-NZ 3.5Å |
| 297 | F | 96.8 | Very high | 95.4 | Very high | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.018 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -73.9 | -27.1 | -178.8 | -79 | -71.9 | 0 | 0 | 0 | 114 | T27 I30 F268 T293 I294 E295 R299 K300 M304 | T27-F297 HydrophobicContact CG2-CE2 3.65Å; T27-F297 HydrophobicContact CG2-CZ 3.46Å; T27-F297 VanDerWaalsContact CG2-CZ 3.46Å; I30-F297 HydrophobicContact CB-CD2 4.36Å; I30-F297 HydrophobicContact CD1-CB 4.08Å; I30-F297 HydrophobicContact CD1-CD2 3.43Å; I30-F297 VanDerWaalsContact CD1-CD2 3.43Å; I30-F297 HydrophobicContact CD1-CE2 4.19Å; I30-F297 HydrophobicContact CD1-CG 4.03Å; I30-F297 HydrophobicContact CG1-CD2 4.49Å; I30-F297 HydrophobicContact CG2-CB 3.89Å; I30-F297 HydrophobicContact CG2-CD1 4.22Å; I30-F297 HydrophobicContact CG2-CD2 4.16Å; I30-F297 HydrophobicContact CG2-CG 3.83Å; F268-F297 HydrophobicContact CB-CE1 4.38Å; F268-F297 HydrophobicContact CB-CZ 3.75Å; F268-F297 AromaticContact CD1-CE1 3.58Å; F268-F297 HydrophobicContact CD1-CE1 3.58Å; F268-F297 AromaticContact CD1-CZ 3.85Å; F268-F297 HydrophobicContact CD1-CZ 3.85Å; F268-F297 HydrophobicContact CD2-CZ 4.45Å; F268-F297 HydrophobicContact CE1-CE1 4.03Å; F268-F297 AromaticContact CG-CE1 3.92Å; F268-F297 HydrophobicContact CG-CE1 3.92Å; F268-F297 AromaticContact CG-CZ 3.74Å; F268-F297 HydrophobicContact CG-CZ 3.74Å; T293-F297 HydrophobicContact CG2-CD2 4.12Å; T293-F297 HydrophobicContact CG2-CE2 4.03Å; T293-F297 VanDerWaalsContact O-CD2 3.28Å; T293-F297 WeakPolarHBondContact O-CD2 3.29Å; T293-F297 PolarHBondContact O-N 3.49Å; I294-F297 PolarHBondContact O-N 2.95Å; E295-F297 PolarHBondContact O-N 2.83Å; F297-R299 PolarHBondContact O-N 3.32Å; F297-K300 CarbonylContact O-C 3.6Å; F297-K300 PolarHBondContact O-N 3.22Å; F297-K300 VanDerWaalsContact O-N 3.11Å; F297-M304 HydrophobicContact CD1-CE 4.07Å; F297-M304 HydrophobicContact CD1-CG 3.72Å; F297-M304 HydrophobicContact CD1-SD 3.53Å; F297-M304 VanDerWaalsContact CD1-SD 3.53Å; F297-M304 HydrophobicContact CE1-CE 3.53Å; F297-M304 HydrophobicContact CE1-CG 4.18Å; F297-M304 HydrophobicContact CE1-SD 3.47Å; F297-M304 WeakPolarHBondContact CE1-SD 3.29Å; F297-M304 HydrophobicContact CZ-SD 4.47Å |
| 298 | R | 95.5 | Very high | 95.3 | Very high | 159 Ų | 159 | 55.5 Ų | 55.5 | 60% | 0.6 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -60.4 | -27.4 | 170.9 | -78 | 179.5 | 177.5 | 142.6 | 0.3 | 112.5 | I294 E295 | I294-R298 WeakPolarHBondContact O-CG 3.47Å; I294-R298 PolarHBondContact O-N 2.64Å; I294-R298 VanDerWaalsContact O-N 3.09Å; E295-R298 PolarHBondContact O-N 3.07Å |
| 299 | R | 94.3 | Very high | 95.1 | Very high | 185 Ų | 185 | 59 Ų | 59 | 70% | 0.698 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -5.8 | 178.1 | -66 | 177.8 | 175.5 | 161.8 | 3.7 | 113.9 | E295 Y296 F297 P301 | E295-R299 PolarHBondContact O-N 2.67Å; E295-R299 IonicContact OE1-CZ 2.97Å; E295-R299 IonicContact OE1-NE 3.96Å; E295-R299 IonicContact OE1-NH1 3.12Å; E295-R299 IonicContact OE1-NH2 3.59Å; E295-R299 PolarHBondContact OE1-NH2 3.11Å; Y296-R299 PolarHBondContact O-N 2.9Å; F297-R299 PolarHBondContact O-N 3.32Å; R299-P301 VanDerWaalsContact C-CD 3.46Å |
| 300 | K | 91.7 | Very high | 94.8 | Very high | 76 Ų | 76 | 59 Ų | 59 | 33% | 0.33 | 26% | 0.261 | S | S | . | . | trans | -133.4 | 54.4 | -176.3 | -65.3 | -176 | 162.2 | -155.9 | 0 | 112.8 | Y296 F297 D302 D303 | Y296-K300 HydrophobicContact CE1-CD 4.2Å; Y296-K300 HydrophobicContact CE2-CD 3.92Å; Y296-K300 PolarHBondContact OH-NZ 3.5Å; F297-K300 CarbonylContact O-C 3.6Å; F297-K300 PolarHBondContact O-N 3.22Å; F297-K300 VanDerWaalsContact O-N 3.11Å; K300-D302 VanDerWaalsContact C-N 3.25Å; K300-D302 PolarHBondContact O-N 3.33Å; K300-D303 HydrophobicContact CB-CB 4.43Å; K300-D303 IonicContact NZ-OD2 3.29Å | ||
| 301 | P | 93.1 | Very high | 94.4 | Very high | 47 Ų | 47 | 58.8 Ų | 58.8 | 31% | 0.305 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.3 | -37 | 177.4 | 27.2 | -34.1 | 0 | 0 | 0 | 111.7 | R299 D303 M304 E305 | R299-P301 VanDerWaalsContact C-CD 3.46Å; P301-D303 PolarHBondContact O-N 2.94Å; P301-M304 WeakPolarHBondContact O-CB 3.48Å; P301-M304 PolarHBondContact O-N 3.28Å; P301-M304 VanDerWaalsContact O-N 3.14Å; P301-E305 WeakPolarHBondContact O-CG 3.42Å; P301-E305 PolarHBondContact O-N 3.45Å |
| 302 | D | 94.7 | Very high | 93.5 | Very high | 119 Ų | 119 | 58.7 Ų | 58.7 | 64% | 0.636 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -62 | -42.6 | -176.3 | -60.6 | -22.3 | 0 | 0 | 0 | 112.9 | K300 M304 E305 L306 | K300-D302 VanDerWaalsContact C-N 3.25Å; K300-D302 PolarHBondContact O-N 3.33Å; D302-M304 VanDerWaalsContact C-N 3.3Å; D302-M304 PolarHBondContact O-N 3.19Å; D302-E305 PolarHBondContact O-N 3.01Å; D302-L306 VanDerWaalsContact O-CB 3.31Å; D302-L306 WeakPolarHBondContact O-CB 3.39Å; D302-L306 PolarHBondContact O-N 2.95Å |
| 303 | D | 93 | Very high | 92 | Very high | 56 Ų | 56 | 63.5 Ų | 63.5 | 30% | 0.299 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.2 | -40.7 | 176.5 | -70.8 | -4.8 | 0 | 0 | 0 | 110.8 | F268 K300 P301 L307 | F268-D303 HydrophobicContact CE1-CB 4.26Å; K300-D303 HydrophobicContact CB-CB 4.43Å; K300-D303 IonicContact NZ-OD2 3.29Å; P301-D303 PolarHBondContact O-N 2.94Å; D303-L307 WeakPolarHBondContact O-CB 3.42Å; D303-L307 PolarHBondContact O-N 3.36Å |
| 304 | M | 94.4 | Very high | 90 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.8 | -41.5 | 178.5 | -67.9 | -69.2 | 86.8 | 0 | 0 | 112.7 | I30 I31 Y34 F268 F297 P301 D302 L306 L307 A308 | I30-M304 HydrophobicContact CG2-SD 4.3Å; I31-M304 HydrophobicContact CG1-CE 4.48Å; I31-M304 HydrophobicContact CG1-SD 4.24Å; Y34-M304 HydrophobicContact CD1-CB 3.77Å; Y34-M304 HydrophobicContact CD2-CB 3.89Å; Y34-M304 HydrophobicContact CD2-CG 4.07Å; Y34-M304 HydrophobicContact CD2-SD 4.38Å; Y34-M304 HydrophobicContact CE1-CB 3.92Å; Y34-M304 HydrophobicContact CE2-CB 4.02Å; Y34-M304 HydrophobicContact CE2-CG 4.04Å; Y34-M304 HydrophobicContact CG-CB 3.76Å; Y34-M304 HydrophobicContact CG-CG 4.43Å; F268-M304 HydrophobicContact CD1-CE 4.07Å; F268-M304 HydrophobicContact CD2-CE 4.3Å; F268-M304 HydrophobicContact CE1-CE 3.3Å; F268-M304 HydrophobicContact CE2-CE 3.57Å; F268-M304 HydrophobicContact CZ-CE 3.01Å; F297-M304 HydrophobicContact CD1-CE 4.07Å; F297-M304 HydrophobicContact CD1-CG 3.72Å; F297-M304 HydrophobicContact CD1-SD 3.53Å; F297-M304 VanDerWaalsContact CD1-SD 3.53Å; F297-M304 HydrophobicContact CE1-CE 3.53Å; F297-M304 HydrophobicContact CE1-CG 4.18Å; F297-M304 HydrophobicContact CE1-SD 3.47Å; F297-M304 WeakPolarHBondContact CE1-SD 3.29Å; F297-M304 HydrophobicContact CZ-SD 4.47Å; P301-M304 WeakPolarHBondContact O-CB 3.48Å; P301-M304 PolarHBondContact O-N 3.28Å; P301-M304 VanDerWaalsContact O-N 3.14Å; D302-M304 VanDerWaalsContact C-N 3.3Å; D302-M304 PolarHBondContact O-N 3.19Å; M304-L306 VanDerWaalsContact C-N 3.33Å; M304-L307 HydrophobicContact CE-CD2 4.05Å; M304-L307 PolarHBondContact O-N 3.48Å; M304-A308 VanDerWaalsContact O-CB 3.29Å; M304-A308 WeakPolarHBondContact O-CB 3.35Å; M304-A308 PolarHBondContact O-N 3.31Å |
| 305 | E | 94 | Very high | 87.6 | Confident | 80 Ų | 80 | 69.4 Ų | 69.4 | 37% | 0.374 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.3 | -40.4 | 174.5 | -73.7 | -171.6 | -164.1 | 0 | 0 | 111.8 | P301 D302 A308 R309 | P301-E305 WeakPolarHBondContact O-CG 3.42Å; P301-E305 PolarHBondContact O-N 3.45Å; D302-E305 PolarHBondContact O-N 3.01Å; E305-A308 PolarHBondContact O-N 3.03Å; E305-R309 VanDerWaalsContact O-CG 3.24Å; E305-R309 WeakPolarHBondContact O-CG 3.49Å; E305-R309 PolarHBondContact O-N 3.11Å; E305-R309 IonicContact OE2-NH2 2.76Å; E305-R309 PolarHBondContact OE2-NH2 3.25Å; E305-R309 VanDerWaalsContact OE2-NH2 3.12Å |
| 306 | L | 93.2 | Very high | 85.3 | Confident | 57 Ų | 57 | 68 Ų | 68 | 30% | 0.298 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.7 | -48.7 | 176.6 | -178.4 | 61 | 0 | 0 | 0 | 111 | F266 D302 M304 A308 R309 L310 F320 | F266-L306 HydrophobicContact CE1-CB 4.42Å; F266-L306 HydrophobicContact CE1-CD2 4.11Å; F266-L306 HydrophobicContact CE1-CG 4.3Å; F266-L306 HydrophobicContact CZ-CB 4.45Å; F266-L306 HydrophobicContact CZ-CD2 3.98Å; F266-L306 HydrophobicContact CZ-CG 3.95Å; D302-L306 VanDerWaalsContact O-CB 3.31Å; D302-L306 WeakPolarHBondContact O-CB 3.39Å; D302-L306 PolarHBondContact O-N 2.95Å; M304-L306 VanDerWaalsContact C-N 3.33Å; L306-A308 VanDerWaalsContact C-N 3.32Å; L306-A308 PolarHBondContact O-N 3.42Å; L306-R309 PolarHBondContact O-N 3.45Å; L306-L310 HydrophobicContact CG-CD1 4.28Å; L306-L310 WeakPolarHBondContact O-CG 3.39Å; L306-L310 PolarHBondContact O-N 3.15Å; L306-F320 HydrophobicContact CD1-CE2 4.13Å |
| 307 | L | 94.6 | Very high | 83.1 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -56.3 | -48.1 | 175.1 | 178.9 | 62.9 | 0 | 0 | 0 | 111 | I31 V215 F266 F268 D303 M304 R309 L310 L311 | I31-L307 HydrophobicContact CD1-CD2 4.35Å; I31-L307 HydrophobicContact CG1-CD2 4.25Å; I31-L307 HydrophobicContact CG2-CD2 4.34Å; V215-L307 HydrophobicContact CG2-CD1 3.65Å; F266-L307 HydrophobicContact CD2-CD1 4.09Å; F266-L307 HydrophobicContact CE1-CB 4.22Å; F266-L307 HydrophobicContact CE2-CD1 4.03Å; F266-L307 HydrophobicContact CZ-CB 4.21Å; F266-L307 HydrophobicContact CZ-CD1 4.5Å; F268-L307 HydrophobicContact CE2-CD2 3.85Å; F268-L307 HydrophobicContact CZ-CD2 4.17Å; D303-L307 WeakPolarHBondContact O-CB 3.42Å; D303-L307 PolarHBondContact O-N 3.36Å; M304-L307 HydrophobicContact CE-CD2 4.05Å; M304-L307 PolarHBondContact O-N 3.48Å; L307-R309 VanDerWaalsContact C-N 3.29Å; L307-R309 PolarHBondContact O-N 3.26Å; L307-L310 PolarHBondContact O-N 3.23Å; L307-L310 VanDerWaalsContact O-N 3.15Å; L307-L311 HydrophobicContact CD1-CD1 3.96Å; L307-L311 HydrophobicContact CD1-CD2 4.37Å; L307-L311 HydrophobicContact CD1-CG 3.96Å; L307-L311 HydrophobicContact CG-CD1 4.01Å; L307-L311 HydrophobicContact CG-CG 4.32Å; L307-L311 WeakPolarHBondContact O-CG 3.39Å; L307-L311 PolarHBondContact O-N 3.37Å |
| 308 | A | 93.7 | Very high | 80.7 | Confident | 1 Ų | 1 | 69.4 Ų | 69.4 | 1% | 0.008 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.3 | -33.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | M304 E305 L306 R312 | M304-A308 VanDerWaalsContact O-CB 3.29Å; M304-A308 WeakPolarHBondContact O-CB 3.35Å; M304-A308 PolarHBondContact O-N 3.31Å; E305-A308 PolarHBondContact O-N 3.03Å; L306-A308 VanDerWaalsContact C-N 3.32Å; L306-A308 PolarHBondContact O-N 3.42Å; A308-R312 WeakPolarHBondContact O-CB 3.28Å; A308-R312 VanDerWaalsContact O-CG 3.3Å; A308-R312 WeakPolarHBondContact O-CG 3.46Å; A308-R312 PolarHBondContact O-N 3.48Å; A308-R312 PolarHBondContact O-NE 3.34Å |
| 309 | R | 91.6 | Very high | 78.4 | Confident | 140 Ų | 140 | 71.9 Ų | 71.9 | 53% | 0.528 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -68 | -43.6 | 173.4 | -73 | 170.6 | -164.3 | -177.4 | 10.2 | 111.7 | E305 L306 L307 H313 S316 | E305-R309 VanDerWaalsContact O-CG 3.24Å; E305-R309 WeakPolarHBondContact O-CG 3.49Å; E305-R309 PolarHBondContact O-N 3.11Å; E305-R309 IonicContact OE2-NH2 2.76Å; E305-R309 PolarHBondContact OE2-NH2 3.25Å; E305-R309 VanDerWaalsContact OE2-NH2 3.12Å; L306-R309 PolarHBondContact O-N 3.45Å; L307-R309 VanDerWaalsContact C-N 3.29Å; L307-R309 PolarHBondContact O-N 3.26Å; R309-H313 PolarHBondContact O-N 2.87Å; R309-S316 PolarHBondContact O-OG 2.92Å |
| 310 | L | 89.8 | Confident | 76.4 | Confident | 5 Ų | 5 | 66.3 Ų | 66.3 | 3% | 0.026 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.3 | -45.8 | 178.4 | -70.2 | 170.1 | 0 | 0 | 0 | 111.7 | P264 F266 L306 L307 H313 M317 | P264-L310 HydrophobicContact CB-CD1 3.79Å; P264-L310 HydrophobicContact CG-CD1 3.75Å; P264-L310 HydrophobicContact CG-CD2 4.29Å; F266-L310 HydrophobicContact CE2-CD1 3.62Å; F266-L310 HydrophobicContact CZ-CD1 3.65Å; L306-L310 HydrophobicContact CG-CD1 4.28Å; L306-L310 WeakPolarHBondContact O-CG 3.39Å; L306-L310 PolarHBondContact O-N 3.15Å; L307-L310 PolarHBondContact O-N 3.23Å; L307-L310 VanDerWaalsContact O-N 3.15Å; L310-H313 CarbonylContact O-C 3.59Å; L310-M317 HydrophobicContact CB-CE 4.47Å; L310-M317 HydrophobicContact CD2-CE 4.35Å |
| 311 | L | 88.9 | Confident | 74.6 | Confident | 7 Ų | 7 | 64 Ų | 64 | 4% | 0.037 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -71.2 | -33.7 | -178.4 | -62.6 | -176.7 | 0 | 0 | 0 | 113.2 | C42 F43 L307 | C42-L311 HydrophobicContact CB-CB 3.99Å; C42-L311 HydrophobicContact CB-CD2 3.86Å; C42-L311 HydrophobicContact CB-CG 4.32Å; C42-L311 PolarHBondContact SG-O 3.38Å; F43-L311 HydrophobicContact CE1-CD2 4.31Å; F43-L311 HydrophobicContact CE2-CD1 3.91Å; F43-L311 HydrophobicContact CE2-CD2 4.28Å; F43-L311 HydrophobicContact CZ-CD1 3.99Å; F43-L311 HydrophobicContact CZ-CD2 3.96Å; L307-L311 HydrophobicContact CD1-CD1 3.96Å; L307-L311 HydrophobicContact CD1-CD2 4.37Å; L307-L311 HydrophobicContact CD1-CG 3.96Å; L307-L311 HydrophobicContact CG-CD1 4.01Å; L307-L311 HydrophobicContact CG-CG 4.32Å; L307-L311 WeakPolarHBondContact O-CG 3.39Å; L307-L311 PolarHBondContact O-N 3.37Å |
| 312 | R | 78.9 | Confident | 72.5 | Confident | 132 Ų | 132 | 64.7 Ų | 64.7 | 50% | 0.498 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -74.6 | -24.4 | 179.2 | -78.1 | -171.8 | -71.6 | -107.8 | 0 | 114.4 | Y34 A308 | Y34-R312 PolarHBondContact O-NH1 2.95Å; A308-R312 WeakPolarHBondContact O-CB 3.28Å; A308-R312 VanDerWaalsContact O-CG 3.3Å; A308-R312 WeakPolarHBondContact O-CG 3.46Å; A308-R312 PolarHBondContact O-N 3.48Å; A308-R312 PolarHBondContact O-NE 3.34Å |
| 313 | H | 66.3 | Low | 70.5 | Confident | 116 Ų | 116 | 60.8 Ų | 60.8 | 54% | 0.537 | 32% | 0.317 | S | S | . | . | trans | -134.5 | 90.5 | -174.4 | -67.2 | -59.7 | 0 | 0 | 0 | 110.1 | R309 L310 A315 S316 | R309-H313 PolarHBondContact O-N 2.87Å; L310-H313 CarbonylContact O-C 3.59Å; H313-A315 PolarHBondContact O-N 3.45Å; H313-A315 VanDerWaalsContact O-N 3.14Å; H313-S316 VanDerWaalsContact O-CB 3.28Å; H313-S316 WeakPolarHBondContact O-CB 3.36Å; H313-S316 PolarHBondContact O-N 3.02Å; H313-S316 PolarHBondContact O-OG 3.47Å | ||
| 314 | P | 55.3 | Low | 68.6 | Low | 93 Ų | 93 | 61 Ų | 61 | 60% | 0.604 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -53.1 | -36.7 | 172.1 | -25.1 | 33 | 0 | 0 | 0 | 111.8 | S316 M317 | P314-S316 PolarHBondContact O-N 3.1Å; P314-M317 WeakPolarHBondContact O-CB 3.27Å; P314-M317 PolarHBondContact O-N 3.5Å |
| 315 | A | 46.2 | Very low | 66 | Low | 78 Ų | 78 | 65 Ų | 65 | 65% | 0.645 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -66.3 | -16.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | H313 M317 | H313-A315 PolarHBondContact O-N 3.45Å; H313-A315 VanDerWaalsContact O-N 3.14Å; A315-M317 VanDerWaalsContact C-N 3.28Å |
| 316 | S | 48.5 | Very low | 63.4 | Low | 33 Ų | 33 | 68 Ų | 68 | 23% | 0.231 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -74 | -21.8 | 176.4 | 71.5 | 0 | 0 | 0 | 0 | 112.7 | R309 H313 P314 T318 R319 F320 | R309-S316 PolarHBondContact O-OG 2.92Å; H313-S316 VanDerWaalsContact O-CB 3.28Å; H313-S316 WeakPolarHBondContact O-CB 3.36Å; H313-S316 PolarHBondContact O-N 3.02Å; H313-S316 PolarHBondContact O-OG 3.47Å; P314-S316 PolarHBondContact O-N 3.1Å; S316-T318 PolarHBondContact O-N 2.96Å; S316-R319 PolarHBondContact O-N 3.2Å; S316-R319 VanDerWaalsContact O-N 3.15Å; S316-F320 PolarHBondContact O-N 3.33Å |
| 317 | M | 50.9 | Low | 60.8 | Low | 3 Ų | 3 | 71.6 Ų | 71.6 | 2% | 0.015 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.5 | -43 | 178.7 | -148.3 | 158.7 | -87.8 | 0 | 0 | 111.5 | F8 N10 G212 L310 P314 A315 R319 F320 I321 | F8-M317 HydrophobicContact CB-SD 3.6Å; F8-M317 VanDerWaalsContact CB-SD 3.6Å; F8-M317 HydrophobicContact CD1-CG 4.32Å; F8-M317 HydrophobicContact CD1-SD 4.04Å; F8-M317 HydrophobicContact CG-CG 4.38Å; F8-M317 HydrophobicContact CG-SD 3.83Å; N10-M317 WeakPolarHBondContact OD1-CE 3.4Å; G212-M317 WeakPolarHBondContact CA-SD 3.23Å; G212-M317 VanDerWaalsContact O-SD 3.4Å; L310-M317 HydrophobicContact CB-CE 4.47Å; L310-M317 HydrophobicContact CD2-CE 4.35Å; P314-M317 WeakPolarHBondContact O-CB 3.27Å; P314-M317 PolarHBondContact O-N 3.5Å; A315-M317 VanDerWaalsContact C-N 3.28Å; M317-R319 VanDerWaalsContact C-N 3.26Å; M317-R319 PolarHBondContact O-N 2.94Å; M317-F320 PolarHBondContact O-N 3.49Å; M317-I321 HydrophobicContact CG-CD1 4.46Å; M317-I321 VanDerWaalsContact O-CG1 3.29Å; M317-I321 WeakPolarHBondContact O-CG1 3.38Å; M317-I321 PolarHBondContact O-N 3.23Å |
| 318 | T | 46.2 | Very low | 58 | Low | 71 Ų | 71 | 76.2 Ų | 76.2 | 44% | 0.436 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.2 | -33.3 | 175.7 | -43.1 | 0 | 0 | 0 | 0 | 112.6 | S316 A322 | S316-T318 PolarHBondContact O-N 2.96Å; T318-A322 WeakPolarHBondContact O-CB 3.38Å; T318-A322 PolarHBondContact O-N 3.49Å |
| 319 | R | 46 | Very low | 55.4 | Low | 211 Ų | 211 | 80.1 Ų | 80.1 | 80% | 0.796 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -78.7 | -37.5 | 176.2 | -72 | -174.7 | -173.1 | 167.2 | 3.5 | 112.4 | S316 M317 A322 G323 | S316-R319 PolarHBondContact O-N 3.2Å; S316-R319 VanDerWaalsContact O-N 3.15Å; M317-R319 VanDerWaalsContact C-N 3.26Å; M317-R319 PolarHBondContact O-N 2.94Å; R319-A322 PolarHBondContact O-N 3.35Å; R319-G323 PolarHBondContact O-N 3.43Å |
| 320 | F | 53.5 | Low | 52.9 | Low | 67 Ų | 67 | 77.8 Ų | 77.8 | 29% | 0.294 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.6 | -45.2 | 176.3 | -171.6 | -96.7 | 0 | 0 | 0 | 111.1 | P264 L306 S316 M317 A322 G323 N324 | P264-F320 HydrophobicContact CG-CD1 3.86Å; P264-F320 HydrophobicContact CG-CE1 3.65Å; P264-F320 HydrophobicContact CG-CZ 4.46Å; L306-F320 HydrophobicContact CD1-CE2 4.13Å; S316-F320 PolarHBondContact O-N 3.33Å; M317-F320 PolarHBondContact O-N 3.49Å; F320-A322 PolarHBondContact O-N 2.9Å; F320-G323 PolarHBondContact O-N 3.42Å; F320-N324 WeakPolarHBondContact CE1-ND2 3.26Å; F320-N324 WeakPolarHBondContact CZ-ND2 3.46Å; F320-N324 PolarHBondContact O-N 2.87Å |
| 321 | I | 53.2 | Low | 50.4 | Low | 29 Ų | 29 | 81.1 Ų | 81.1 | 15% | 0.149 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -60 | -46 | 174.5 | -65.9 | 166.5 | 0 | 0 | 0 | 110.4 | F8 N262 M317 G323 N324 L325 | F8-I321 HydrophobicContact CD1-CD1 4.49Å; F8-I321 HydrophobicContact CE1-CD1 3.5Å; F8-I321 VanDerWaalsContact CE1-CD1 3.5Å; F8-I321 HydrophobicContact CZ-CD1 3.65Å; N262-I321 HydrophobicContact CB-CG1 4.13Å; N262-I321 HydrophobicContact CB-CG2 3.99Å; N262-I321 WeakPolarHBondContact O-CG1 3.43Å; M317-I321 HydrophobicContact CG-CD1 4.46Å; M317-I321 VanDerWaalsContact O-CG1 3.29Å; M317-I321 WeakPolarHBondContact O-CG1 3.38Å; M317-I321 PolarHBondContact O-N 3.23Å; I321-G323 VanDerWaalsContact C-N 3.35Å; I321-G323 PolarHBondContact O-N 3.4Å; I321-N324 PolarHBondContact O-N 2.95Å; I321-L325 HydrophobicContact CG2-CD1 3.8Å; I321-L325 WeakPolarHBondContact O-CB 3.29Å; I321-L325 WeakPolarHBondContact O-CD1 3.33Å; I321-L325 WeakPolarHBondContact O-CG 3.42Å; I321-L325 PolarHBondContact O-N 3.45Å |
| 322 | A | 50.3 | Low | 48.1 | Very low | 61 Ų | 61 | 86.1 Ų | 86.1 | 50% | 0.504 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.1 | -35.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | T318 R319 F320 | T318-A322 WeakPolarHBondContact O-CB 3.38Å; T318-A322 PolarHBondContact O-N 3.49Å; R319-A322 PolarHBondContact O-N 3.35Å; F320-A322 PolarHBondContact O-N 2.9Å |
| 323 | G | 52.4 | Low | 46.1 | Very low | 37 Ų | 37 | 88.1 Ų | 88.1 | 38% | 0.381 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -72.3 | -40.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | R319 F320 I321 H326 M327 | R319-G323 PolarHBondContact O-N 3.43Å; F320-G323 PolarHBondContact O-N 3.42Å; I321-G323 VanDerWaalsContact C-N 3.35Å; I321-G323 PolarHBondContact O-N 3.4Å; G323-H326 WeakPolarHBondContact O-CB 3.3Å; G323-H326 PolarHBondContact O-N 2.89Å; G323-M327 PolarHBondContact O-N 2.92Å |
| 324 | N | 52.3 | Low | 44.8 | Very low | 59 Ų | 59 | 87.3 Ų | 87.3 | 32% | 0.316 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -75.9 | -31.8 | 178.9 | -82 | -12.5 | 0 | 0 | 0 | 113.3 | F320 I321 H326 M327 Q328 | F320-N324 WeakPolarHBondContact CE1-ND2 3.26Å; F320-N324 WeakPolarHBondContact CZ-ND2 3.46Å; F320-N324 PolarHBondContact O-N 2.87Å; I321-N324 PolarHBondContact O-N 2.95Å; N324-H326 PolarHBondContact O-N 3.21Å; N324-M327 PolarHBondContact O-N 2.98Å; N324-M327 VanDerWaalsContact O-N 3.16Å; N324-Q328 PolarHBondContact O-N 3.5Å |
| 325 | L | 41.2 | Very low | 43.9 | Very low | 85 Ų | 85 | 92.2 Ų | 92.2 | 45% | 0.445 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -56.2 | -39.2 | 167.9 | -87.4 | 155.5 | 0 | 0 | 0 | 111.2 | I321 T329 | I321-L325 HydrophobicContact CG2-CD1 3.8Å; I321-L325 WeakPolarHBondContact O-CB 3.29Å; I321-L325 WeakPolarHBondContact O-CD1 3.33Å; I321-L325 WeakPolarHBondContact O-CG 3.42Å; I321-L325 PolarHBondContact O-N 3.45Å; L325-T329 WeakPolarHBondContact O-CG2 3.24Å; L325-T329 PolarHBondContact O-N 3.22Å; L325-T329 PolarHBondContact O-OG1 3.27Å |
| 326 | H | 38 | Very low | 43.5 | Very low | 144 Ų | 144 | 93.1 Ų | 93.1 | 67% | 0.667 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -68.7 | -37.8 | 177.3 | -140.8 | 63.3 | 0 | 0 | 0 | 112.4 | G323 N324 T329 T330 | G323-H326 WeakPolarHBondContact O-CB 3.3Å; G323-H326 PolarHBondContact O-N 2.89Å; N324-H326 PolarHBondContact O-N 3.21Å; H326-T329 WeakPolarHBondContact CA-OG1 3.49Å; H326-T329 PolarHBondContact O-OG1 2.96Å; H326-T330 PolarHBondContact O-N 2.74Å; H326-T330 PolarHBondContact O-OG1 3.01Å |
| 327 | M | 38.7 | Very low | 42.9 | Very low | 132 Ų | 132 | 97.5 Ų | 97.5 | 65% | 0.65 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -70.4 | -43.7 | 174.7 | -72 | -147.5 | -170.3 | 0 | 0 | 112.6 | G323 N324 T329 T330 T331 | G323-M327 PolarHBondContact O-N 2.92Å; N324-M327 PolarHBondContact O-N 2.98Å; N324-M327 VanDerWaalsContact O-N 3.16Å; M327-T329 PolarHBondContact O-N 3.47Å; M327-T330 WeakPolarHBondContact O-CA 3.25Å; M327-T330 WeakPolarHBondContact O-CB 3.27Å; M327-T330 PolarHBondContact O-N 2.96Å; M327-T331 PolarHBondContact O-N 3.38Å; M327-T331 PolarHBondContact O-OG1 3.09Å |
| 328 | Q | 37.1 | Very low | 42.2 | Very low | 97 Ų | 97 | 103.4 Ų | 103.4 | 45% | 0.453 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.9 | -35.6 | 178.7 | -72.6 | -172.9 | -5.4 | 0 | 0 | 112.5 | N324 T330 T331 V332 | N324-Q328 PolarHBondContact O-N 3.5Å; Q328-T330 PolarHBondContact O-N 3.42Å; Q328-T331 PolarHBondContact O-N 3.01Å; Q328-V332 WeakPolarHBondContact O-CB 3.38Å; Q328-V332 VanDerWaalsContact O-CG2 3.26Å; Q328-V332 WeakPolarHBondContact O-CG2 3.44Å; Q328-V332 PolarHBondContact O-N 2.97Å |
| 329 | T | 39 | Very low | 41.7 | Very low | 82 Ų | 82 | 106.2 Ų | 106.2 | 50% | 0.503 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.7 | -21.5 | 170.9 | 46.7 | 0 | 0 | 0 | 0 | 113.7 | L325 H326 M327 | L325-T329 WeakPolarHBondContact O-CG2 3.24Å; L325-T329 PolarHBondContact O-N 3.22Å; L325-T329 PolarHBondContact O-OG1 3.27Å; H326-T329 WeakPolarHBondContact CA-OG1 3.49Å; H326-T329 PolarHBondContact O-OG1 2.96Å; M327-T329 PolarHBondContact O-N 3.47Å |
| 330 | T | 37.7 | Very low | 41.2 | Very low | 91 Ų | 91 | 107.1 Ų | 107.1 | 56% | 0.558 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -86.9 | -34.8 | 177 | -48.1 | 0 | 0 | 0 | 0 | 111.2 | H326 M327 Q328 | H326-T330 PolarHBondContact O-N 2.74Å; H326-T330 PolarHBondContact O-OG1 3.01Å; M327-T330 WeakPolarHBondContact O-CA 3.25Å; M327-T330 WeakPolarHBondContact O-CB 3.27Å; M327-T330 PolarHBondContact O-N 2.96Å; Q328-T330 PolarHBondContact O-N 3.42Å |
| 331 | T | 38.5 | Very low | 40.7 | Very low | 75 Ų | 75 | 115.4 Ų | 115.4 | 46% | 0.46 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -80.7 | -27.9 | 178.9 | -42.1 | 0 | 0 | 0 | 0 | 113.4 | M327 Q328 K333 T334 Y335 | M327-T331 PolarHBondContact O-N 3.38Å; M327-T331 PolarHBondContact O-OG1 3.09Å; Q328-T331 PolarHBondContact O-N 3.01Å; T331-K333 VanDerWaalsContact C-N 3.28Å; T331-K333 PolarHBondContact O-N 2.81Å; T331-T334 PolarHBondContact O-N 3.1Å; T331-T334 PolarHBondContact O-OG1 2.74Å; T331-Y335 HydrophobicContact CG2-CE2 4.15Å; T331-Y335 WeakPolarHBondContact O-CD2 3.26Å |
| 332 | V | 40.6 | Very low | 40.1 | Very low | 112 Ų | 112 | 119.7 Ų | 119.7 | 68% | 0.679 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -72.9 | -20.4 | 176.8 | 173.9 | 0 | 0 | 0 | 0 | 112.3 | Q328 T334 | Q328-V332 WeakPolarHBondContact O-CB 3.38Å; Q328-V332 VanDerWaalsContact O-CG2 3.26Å; Q328-V332 WeakPolarHBondContact O-CG2 3.44Å; Q328-V332 PolarHBondContact O-N 2.97Å; V332-T334 VanDerWaalsContact C-N 3.3Å; V332-T334 PolarHBondContact O-N 2.86Å |
| 333 | K | 35.6 | Very low | 39.5 | Very low | 175 Ų | 175 | 122.8 Ų | 122.8 | 76% | 0.761 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -77.1 | -8.8 | 175.1 | -80 | -174.7 | 176.3 | 179 | 0 | 114.6 | T331 | T331-K333 VanDerWaalsContact C-N 3.28Å; T331-K333 PolarHBondContact O-N 2.81Å |
| 334 | T | 39.9 | Very low | 38.8 | Very low | 99 Ų | 99 | 127.6 Ų | 127.6 | 61% | 0.607 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -103.5 | -0.2 | -178 | 32.4 | 0 | 0 | 0 | 0 | 115.1 | T331 V332 | T331-T334 PolarHBondContact O-N 3.1Å; T331-T334 PolarHBondContact O-OG1 2.74Å; V332-T334 VanDerWaalsContact C-N 3.3Å; V332-T334 PolarHBondContact O-N 2.86Å |
| 335 | Y | 36.7 | Very low | 38 | Very low | 195 Ų | 195 | 131.6 Ų | 131.6 | 77% | 0.765 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -109.2 | 9.2 | 179.3 | -75.3 | -81.5 | 0 | 0 | 0 | 115.5 | T331 | T331-Y335 HydrophobicContact CG2-CE2 4.15Å; T331-Y335 WeakPolarHBondContact O-CD2 3.26Å |
| 336 | S | 38 | Very low | 37.8 | Very low | 98 Ų | 98 | 134.5 Ų | 134.5 | 69% | 0.685 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -98.1 | 14.6 | -177.9 | 60 | 0 | 0 | 0 | 0 | 115.8 | ||
| 337 | T | 35.4 | Very low | 37.8 | Very low | 125 Ų | 125 | 133.9 Ų | 133.9 | 77% | 0.767 | 72% | 0.715 | S | S | * | * | trans | -131.5 | 69.4 | 176.1 | 44 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 338 | C | 35.3 | Very low | 37.8 | Very low | 126 Ų | 126 | 134 Ų | 134 | 85% | 0.851 | 72% | 0.72 | S | S | * | * | trans | -137.1 | 79.3 | 154.9 | -142.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 339 | T | 37.2 | Very low | 37.8 | Very low | 131 Ų | 131 | 136.8 Ų | 136.8 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | trans | -67.6 | 128.2 | 170.7 | 29.8 | 0 | 0 | 0 | 0 | 109.3 | N341 | T339-N341 PolarHBondContact O-N 2.97Š| ||
| 340 | Y | 34.7 | Very low | 37.7 | Very low | 229 Ų | 229 | 141.4 Ų | 141.4 | 90% | 0.898 | 76% | 0.76 | S | S | * | * | trans | -49.1 | 127.1 | 161.5 | -79.6 | -99.3 | 0 | 0 | 0 | 110.1 | ||||
| 341 | N | 43.1 | Very low | 37.7 | Very low | 241 Ų | 241 | 146 Ų | 146 | 100% | 1.289 | 78% | 0.779 | S | S | * | * | trans | -135.6 | 0 | 150.3 | -98.8 | -17.4 | 0 | 0 | 0 | 107.4 | T339 | T339-N341 PolarHBondContact O-N 2.97Š|
Retrieved 341 of 341 residues in 197.2 ms
(Link to these results)