| 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 | 62.9 | Low | 91.6 | Very high | 163 Ų | 163 | 26.2 Ų | 26.2 | 80% | 0.803 | 14% | 0.139 | S | C | * | . | 0 | 123.5 | 0 | -77.1 | -171.1 | -114 | 0 | 0 | 108.1 | N379 | M1-N379 HydrophobicContact SD-CB 4.34Š| |||
| 2 | T | 81.9 | Confident | 91.5 | Very high | 61 Ų | 61 | 30.9 Ų | 30.9 | 37% | 0.374 | 16% | 0.159 | S | C | . | . | trans | -96 | 122.4 | -175.6 | -47.5 | 0 | 0 | 0 | 0 | 108.7 | F4 E324 L378 | T2-F4 HydrophobicContact CG2-CD2 4.03Å; T2-F4 HydrophobicContact CG2-CE2 3.4Å; T2-F4 VanDerWaalsContact CG2-CE2 3.4Å; T2-F4 HydrophobicContact CG2-CZ 4.06Å; T2-E324 HydrophobicContact CG2-CG 4.19Å; T2-E324 VanDerWaalsContact CG2-OE1 3.26Å; T2-E324 WeakPolarHBondContact CG2-OE1 3.31Å; T2-L378 HydrophobicContact CG2-CD1 4.43Å; T2-L378 PolarHBondContact O-N 2.78Å | ||
| 3 | E | 90.7 | Very high | 91.2 | Very high | 33 Ų | 33 | 46.8 Ų | 46.8 | 15% | 0.154 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 137.2 | 174.3 | 180 | 179.8 | 101.7 | 0 | 0 | 106.8 | W5 P325 Q330 | E3-W5 PolarHBondContact OE1-NE1 3.13Å; E3-P325 VanDerWaalsContact O-CD 3.26Å; E3-P325 WeakPolarHBondContact O-CD 3.33Å; E3-P325 WeakPolarHBondContact O-CG 3.39Å; E3-Q330 PolarHBondContact OE1-NE2 3.49Å |
| 4 | F | 96.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 150.6 | 172.6 | -73.8 | -96.8 | 0 | 0 | 0 | 110.1 | T2 A101 L104 T105 L322 L323 E324 K375 V376 L378 | T2-F4 HydrophobicContact CG2-CD2 4.03Å; T2-F4 HydrophobicContact CG2-CE2 3.4Å; T2-F4 VanDerWaalsContact CG2-CE2 3.4Å; T2-F4 HydrophobicContact CG2-CZ 4.06Å; F4-A101 HydrophobicContact CE2-CB 4Å; F4-A101 HydrophobicContact CZ-CB 4.18Å; F4-L104 HydrophobicContact CB-CD2 3.6Å; F4-L104 HydrophobicContact CD1-CD2 4.22Å; F4-L104 HydrophobicContact CD2-CD2 3.7Å; F4-L104 HydrophobicContact CE2-CD2 4.41Å; F4-L104 HydrophobicContact CG-CD2 3.58Å; F4-T105 HydrophobicContact CE1-CG2 3.7Å; F4-T105 HydrophobicContact CZ-CG2 3.98Å; F4-L322 HydrophobicContact CB-CD1 3.87Å; F4-L322 HydrophobicContact CD1-CD1 4.03Å; F4-L322 HydrophobicContact CD1-CD2 3.74Å; F4-L322 HydrophobicContact CD1-CG 3.77Å; F4-L322 HydrophobicContact CE1-CD2 4.03Å; F4-L322 HydrophobicContact CE1-CG 4.49Å; F4-L322 HydrophobicContact CG-CD1 4.3Å; F4-L323 CarbonylContact C-O 3.33Å; F4-L323 VanDerWaalsContact CA-O 3.29Å; F4-L323 WeakPolarHBondContact CA-O 3.46Å; F4-E324 HydrophobicContact CD1-CB 3.89Å; F4-E324 HydrophobicContact CD1-CG 4.25Å; F4-E324 HydrophobicContact CE1-CB 3.59Å; F4-E324 HydrophobicContact CE1-CG 3.8Å; F4-E324 HydrophobicContact CE2-CG 4.44Å; F4-E324 HydrophobicContact CZ-CB 4.21Å; F4-E324 HydrophobicContact CZ-CG 3.9Å; F4-K375 CarbonylContact O-C 3.53Å; F4-V376 HydrophobicContact CB-CB 4.24Å; F4-V376 PolarHBondContact N-O 3.49Å; F4-V376 PolarHBondContact O-N 3.06Å; F4-L378 HydrophobicContact CD2-CD1 3.71Å; F4-L378 HydrophobicContact CD2-CG 4.08Å; F4-L378 HydrophobicContact CE2-CD1 3.45Å; F4-L378 VanDerWaalsContact CE2-CD1 3.45Å; F4-L378 HydrophobicContact CE2-CG 4.32Å |
| 5 | W | 97 | Very high | 91.5 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.008 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 128.9 | 170.8 | -59.2 | -17.1 | 0 | 0 | 0 | 109.3 | E3 I7 L322 L323 P325 Q330 L333 R334 L337 F374 | E3-W5 PolarHBondContact OE1-NE1 3.13Å; W5-I7 HydrophobicContact CB-CG2 4.48Å; W5-L322 CarbonylContact O-C 3.57Å; W5-L322 WeakPolarHBondContact O-CA 3.47Å; W5-L323 HydrophobicContact CB-CB 4.31Å; W5-L323 PolarHBondContact N-O 2.77Å; W5-L323 PolarHBondContact O-N 3.04Å; W5-P325 HydrophobicContact CD2-CB 4.22Å; W5-P325 HydrophobicContact CD2-CG 3.8Å; W5-P325 HydrophobicContact CE3-CB 4.31Å; W5-P325 HydrophobicContact CE3-CG 4.35Å; W5-P325 HydrophobicContact CG-CG 4.09Å; W5-P325 HydrophobicContact CH2-CB 4.24Å; W5-P325 HydrophobicContact CZ2-CB 4.07Å; W5-P325 HydrophobicContact CZ2-CG 4.08Å; W5-P325 HydrophobicContact CZ3-CB 4.35Å; W5-Q330 HydrophobicContact CH2-CB 3.85Å; W5-Q330 HydrophobicContact CH2-CG 4.13Å; W5-Q330 HydrophobicContact CZ2-CB 3.83Å; W5-Q330 HydrophobicContact CZ2-CG 3.74Å; W5-L333 HydrophobicContact CE3-CD2 3.69Å; W5-L333 HydrophobicContact CE3-CG 4.25Å; W5-L333 HydrophobicContact CH2-CB 4.26Å; W5-L333 HydrophobicContact CH2-CD2 4.23Å; W5-L333 HydrophobicContact CH2-CG 4.47Å; W5-L333 HydrophobicContact CZ3-CB 3.87Å; W5-L333 HydrophobicContact CZ3-CD2 3.4Å; W5-L333 HydrophobicContact CZ3-CG 3.62Å; W5-R334 VanDerWaalsContact CE3-CZ 3.5Å; W5-R334 HydrophobicContact CH2-CG 3.95Å; W5-R334 HydrophobicContact CZ3-CG 4.27Å; W5-L337 HydrophobicContact CE3-CD1 4.44Å; W5-L337 HydrophobicContact CZ3-CD1 4.38Å; W5-F374 CarbonylContact C-O 3.59Å; W5-F374 WeakPolarHBondContact CA-O 3.39Å |
| 6 | I | 97.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 116 | 164.5 | -53.7 | 163.7 | 0 | 0 | 0 | 106.2 | F39 K300 V304 I321 L322 S373 F374 V376 | I6-F39 HydrophobicContact CD1-CD1 4.41Å; I6-F39 HydrophobicContact CD1-CD2 4.39Å; I6-F39 HydrophobicContact CD1-CE1 3.98Å; I6-F39 HydrophobicContact CD1-CE2 3.96Å; I6-F39 HydrophobicContact CD1-CZ 3.74Å; I6-F39 HydrophobicContact CG1-CD2 4.42Å; I6-F39 HydrophobicContact CG1-CE2 4.46Å; I6-F39 HydrophobicContact CG1-CG 4.49Å; I6-F39 HydrophobicContact CG2-CB 4.28Å; I6-F39 HydrophobicContact CG2-CD1 3.68Å; I6-F39 HydrophobicContact CG2-CE1 4.17Å; I6-F39 HydrophobicContact CG2-CG 3.97Å; I6-K300 HydrophobicContact CD1-CB 3.98Å; I6-K300 HydrophobicContact CD1-CD 4.38Å; I6-V304 HydrophobicContact CB-CG2 4.26Å; I6-V304 HydrophobicContact CG2-CG2 3.6Å; I6-I321 WeakPolarHBondContact CA-O 3.14Å; I6-L322 HydrophobicContact CG1-CD1 3.68Å; I6-S373 WeakPolarHBondContact O-CA 3.44Å; I6-F374 PolarHBondContact N-O 3.16Å; I6-F374 PolarHBondContact O-N 3.35Å; I6-V376 HydrophobicContact CD1-CG2 3.67Å; I6-V376 HydrophobicContact CG1-CG2 3.93Å |
| 7 | I | 97.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 154.6 | 172.5 | 67 | 164.7 | 0 | 0 | 0 | 110 | W5 L22 A320 I321 L323 L337 Y371 V372 | W5-I7 HydrophobicContact CB-CG2 4.48Å; I7-L22 HydrophobicContact CD1-CD2 3.73Å; I7-A320 CarbonylContact O-C 3.51Å; I7-A320 VanDerWaalsContact O-CA 3.3Å; I7-A320 WeakPolarHBondContact O-CA 3.46Å; I7-I321 HydrophobicContact CG1-CB 4.05Å; I7-I321 PolarHBondContact N-O 2.91Å; I7-I321 PolarHBondContact O-N 2.99Å; I7-L323 HydrophobicContact CD1-CD1 3.87Å; I7-L323 HydrophobicContact CG1-CD1 4.16Å; I7-L323 HydrophobicContact CG1-CG 4.48Å; I7-L323 HydrophobicContact CG2-CD1 4.29Å; I7-L337 HydrophobicContact CD1-CD2 3.96Å; I7-Y371 HydrophobicContact CB-CD2 4.05Å; I7-Y371 HydrophobicContact CB-CE2 4.3Å; I7-Y371 HydrophobicContact CG2-CD2 4.01Å; I7-Y371 HydrophobicContact CG2-CE2 3.76Å; I7-V372 CarbonylContact C-O 3.49Å; I7-V372 WeakPolarHBondContact CA-O 3.25Å |
| 8 | S | 97.6 | Very high | 92 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 143.4 | 167 | -177 | 0 | 0 | 0 | 0 | 110.5 | S308 Y312 F318 Q319 Y371 V372 | S8-S308 WeakPolarHBondContact CB-OG 3.37Å; S8-S308 PolarHBondContact OG-OG 3.04Å; S8-Y312 PolarHBondContact O-OH 2.86Å; S8-F318 WeakPolarHBondContact OG-CD2 3.34Å; S8-Q319 WeakPolarHBondContact CA-O 3.33Å; S8-Q319 PolarHBondContact OG-O 3.07Å; S8-Y371 WeakPolarHBondContact O-CB 3.4Å; S8-V372 PolarHBondContact N-O 2.93Å; S8-V372 PolarHBondContact O-N 2.92Å |
| 9 | V | 97 | Very high | 92.3 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 156.8 | -179.1 | -68.5 | 0 | 0 | 0 | 0 | 109.2 | V18 F318 Q319 Y341 Y371 | V9-V18 HydrophobicContact CG2-CG1 3.47Å; V9-V18 VanDerWaalsContact CG2-CG1 3.47Å; V9-F318 CarbonylContact O-C 2.97Å; V9-F318 VanDerWaalsContact O-CA 3.28Å; V9-F318 WeakPolarHBondContact O-CA 3.1Å; V9-F318 WeakPolarHBondContact O-CB 3.49Å; V9-Q319 PolarHBondContact N-O 2.71Å; V9-Q319 PolarHBondContact O-N 3.2Å; V9-Y341 HydrophobicContact CB-CD1 4.4Å; V9-Y341 HydrophobicContact CB-CE1 4.01Å; V9-Y341 HydrophobicContact CG1-CD1 3.82Å; V9-Y341 HydrophobicContact CG1-CD2 4.08Å; V9-Y341 HydrophobicContact CG1-CE1 3.61Å; V9-Y341 HydrophobicContact CG1-CE2 3.91Å; V9-Y341 HydrophobicContact CG1-CG 4.05Å; V9-Y341 HydrophobicContact CG2-CE1 4.25Å; V9-Y371 HydrophobicContact CG1-CG 4.47Å |
| 10 | P | 95.9 | Very high | 92.5 | Very high | 27 Ų | 27 | 51.8 Ų | 51.8 | 18% | 0.175 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.5 | 143 | 176.2 | -25.5 | 35 | 0 | 0 | 0 | 111.9 | E12 Y312 L344 | P10-E12 VanDerWaalsContact C-N 3.29Å; P10-E12 PolarHBondContact O-N 3.07Å; P10-Y312 HydrophobicContact CG-CD1 3.71Å; P10-Y312 HydrophobicContact CG-CE1 3.81Å; P10-Y312 HydrophobicContact CG-CG 4.09Å; P10-L344 HydrophobicContact CG-CD1 4.26Å; P10-L344 HydrophobicContact CG-CD2 3.75Å |
| 11 | G | 93.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | trans | -76.2 | -16.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | R13 D14 V18 D317 | G11-R13 PolarHBondContact O-N 2.95Å; G11-R13 VanDerWaalsContact O-N 3.15Å; G11-D14 CarbonylContact O-C 3.54Å; G11-D14 PolarHBondContact O-N 3.48Å; G11-V18 VanDerWaalsContact O-CG2 3.28Å; G11-V18 WeakPolarHBondContact O-CG2 3.23Å; G11-D317 WeakPolarHBondContact CA-OD1 3.09Å; G11-D317 PolarHBondContact N-O 3.07Å | ||
| 12 | E | 90.6 | Very high | 94.2 | Very high | 83 Ų | 83 | 46.1 Ų | 46.1 | 39% | 0.388 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 33.7 | -179.6 | -62.5 | 172.6 | -155.7 | 0 | 0 | 112.1 | P10 D14 V18 R21 D317 | P10-E12 VanDerWaalsContact C-N 3.29Å; P10-E12 PolarHBondContact O-N 3.07Å; E12-D14 PolarHBondContact O-N 2.96Å; E12-D14 VanDerWaalsContact O-N 3.14Å; E12-V18 HydrophobicContact CB-CG2 4.02Å; E12-V18 HydrophobicContact CG-CG2 4.19Å; E12-R21 IonicContact OE1-CZ 3.58Å; E12-R21 IonicContact OE1-NH1 3.48Å; E12-R21 PolarHBondContact OE1-NH1 3.37Å; E12-R21 IonicContact OE1-NH2 2.72Å; E12-R21 PolarHBondContact OE1-NH2 2.85Å; E12-R21 IonicContact OE2-CZ 3.6Å; E12-R21 IonicContact OE2-NH1 2.86Å; E12-R21 PolarHBondContact OE2-NH1 3.49Å; E12-R21 IonicContact OE2-NH2 3.45Å; E12-R21 PolarHBondContact OE2-NH2 3.45Å; E12-D317 PolarHBondContact N-OD2 3.3Å |
| 13 | R | 87.4 | Confident | 94.9 | Very high | 238 Ų | 238 | 46.3 Ų | 46.3 | 90% | 0.898 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | -10.7 | -171.4 | -48.3 | 175.3 | 179.4 | 176.5 | -0.6 | 116.1 | G11 D317 | G11-R13 PolarHBondContact O-N 2.95Å; G11-R13 VanDerWaalsContact O-N 3.15Å; R13-D317 PolarHBondContact N-OD2 3.37Å |
| 14 | D | 93.4 | Very high | 95.2 | Very high | 65 Ų | 65 | 48.4 Ų | 48.4 | 35% | 0.348 | 23% | 0.227 | S | C | . | . | trans | -136 | 82.4 | 171.6 | -171.6 | -8.2 | 0 | 0 | 0 | 111.4 | G11 E12 N16 Q17 V18 | G11-D14 CarbonylContact O-C 3.54Å; G11-D14 PolarHBondContact O-N 3.48Å; E12-D14 PolarHBondContact O-N 2.96Å; E12-D14 VanDerWaalsContact O-N 3.14Å; D14-N16 PolarHBondContact O-N 3.19Å; D14-N16 WeakPolarHBondContact OD1-CB 3.37Å; D14-N16 PolarHBondContact OD1-N 3.39Å; D14-N16 VanDerWaalsContact OD1-N 3.09Å; D14-Q17 HydrophobicContact CB-CB 3.91Å; D14-Q17 VanDerWaalsContact CG-CB 3.5Å; D14-Q17 PolarHBondContact O-N 3.4Å; D14-Q17 PolarHBondContact OD1-N 3.12Å; D14-Q17 VanDerWaalsContact OD1-N 3.08Å; D14-Q17 WeakPolarHBondContact OD2-CB 3.39Å; D14-V18 PolarHBondContact O-N 2.91Å; D14-V18 VanDerWaalsContact O-N 3.11Å | ||
| 15 | P | 92.9 | Very high | 95.1 | Very high | 35 Ų | 35 | 50 Ų | 50 | 23% | 0.227 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -53.3 | -30.9 | 177.1 | -28.3 | 34.9 | 0 | 0 | 0 | 113.5 | V18 Y19 Q319 | P15-V18 PolarHBondContact O-N 3.23Å; P15-Y19 PolarHBondContact O-N 2.94Å; P15-Q319 HydrophobicContact CB-CB 4Å; P15-Q319 HydrophobicContact CB-CG 4.43Å; P15-Q319 VanDerWaalsContact CB-OE1 3.26Å; P15-Q319 WeakPolarHBondContact O-CG 3.4Å; P15-Q319 PolarHBondContact O-OE1 3.35Å |
| 16 | N | 94.1 | Very high | 95.1 | Very high | 89 Ų | 89 | 50 Ų | 50 | 48% | 0.476 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -69.8 | -42.9 | 178.8 | -63 | -57.2 | 0 | 0 | 0 | 111.3 | D14 V18 Y19 Q20 K38 | D14-N16 PolarHBondContact O-N 3.19Å; D14-N16 WeakPolarHBondContact OD1-CB 3.37Å; D14-N16 PolarHBondContact OD1-N 3.39Å; D14-N16 VanDerWaalsContact OD1-N 3.09Å; N16-V18 VanDerWaalsContact C-N 3.35Å; N16-Y19 WeakPolarHBondContact O-CB 3.31Å; N16-Y19 PolarHBondContact O-N 3.24Å; N16-Q20 VanDerWaalsContact O-CG 3.28Å; N16-Q20 WeakPolarHBondContact O-CG 3.41Å; N16-Q20 PolarHBondContact O-N 2.91Å; N16-K38 PolarHBondContact OD1-NZ 3.04Å |
| 17 | Q | 95.6 | Very high | 94.8 | Very high | 122 Ų | 122 | 52.9 Ų | 52.9 | 57% | 0.57 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -63.7 | -41.4 | 175.6 | -175.3 | 178.4 | 63.6 | 0 | 0 | 111.4 | D14 Y19 Q20 R21 | D14-Q17 HydrophobicContact CB-CB 3.91Å; D14-Q17 VanDerWaalsContact CG-CB 3.5Å; D14-Q17 PolarHBondContact O-N 3.4Å; D14-Q17 PolarHBondContact OD1-N 3.12Å; D14-Q17 VanDerWaalsContact OD1-N 3.08Å; D14-Q17 WeakPolarHBondContact OD2-CB 3.39Å; Q17-Y19 VanDerWaalsContact C-N 3.33Å; Q17-Y19 PolarHBondContact O-N 2.82Å; Q17-Q20 PolarHBondContact O-N 3.48Å; Q17-R21 WeakPolarHBondContact O-CB 3.31Å; Q17-R21 PolarHBondContact O-N 3.22Å |
| 18 | V | 94.9 | Very high | 94.7 | Very high | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.012 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.6 | -44.4 | 175.7 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | V9 G11 E12 D14 P15 N16 R21 L22 | V9-V18 HydrophobicContact CG2-CG1 3.47Å; V9-V18 VanDerWaalsContact CG2-CG1 3.47Å; G11-V18 VanDerWaalsContact O-CG2 3.28Å; G11-V18 WeakPolarHBondContact O-CG2 3.23Å; E12-V18 HydrophobicContact CB-CG2 4.02Å; E12-V18 HydrophobicContact CG-CG2 4.19Å; D14-V18 PolarHBondContact O-N 2.91Å; D14-V18 VanDerWaalsContact O-N 3.11Å; P15-V18 PolarHBondContact O-N 3.23Å; N16-V18 VanDerWaalsContact C-N 3.35Å; V18-R21 PolarHBondContact O-N 3.26Å; V18-L22 PolarHBondContact O-N 2.89Å; V18-L22 VanDerWaalsContact O-N 3.13Å |
| 19 | Y | 96.6 | Very high | 94.4 | Very high | 20 Ų | 20 | 64.2 Ų | 64.2 | 8% | 0.078 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.8 | -48.9 | 173 | 170.2 | -100.2 | 0 | 0 | 0 | 112.3 | P15 N16 Q17 R21 L22 Q23 V36 K38 I321 | P15-Y19 PolarHBondContact O-N 2.94Å; N16-Y19 WeakPolarHBondContact O-CB 3.31Å; N16-Y19 PolarHBondContact O-N 3.24Å; Q17-Y19 VanDerWaalsContact C-N 3.33Å; Q17-Y19 PolarHBondContact O-N 2.82Å; Y19-R21 VanDerWaalsContact C-N 3.29Å; Y19-R21 PolarHBondContact O-N 3.26Å; Y19-L22 PolarHBondContact O-N 3.5Å; Y19-Q23 WeakPolarHBondContact O-CB 3.32Å; Y19-Q23 PolarHBondContact O-N 3.06Å; Y19-Q23 PolarHBondContact OH-NE2 3.3Å; Y19-Q23 VanDerWaalsContact OH-NE2 3.16Å; Y19-V36 HydrophobicContact CE2-CG1 4.13Å; Y19-V36 PolarHBondContact OH-O 2.92Å; Y19-V36 VanDerWaalsContact OH-O 3.08Å; Y19-K38 HydrophobicContact CD1-CD 4.32Å; Y19-K38 HydrophobicContact CD1-CG 4Å; Y19-K38 HydrophobicContact CD2-CG 3.55Å; Y19-K38 HydrophobicContact CE1-CG 4.03Å; Y19-K38 HydrophobicContact CE2-CB 4.43Å; Y19-K38 HydrophobicContact CE2-CG 3.57Å; Y19-K38 HydrophobicContact CG-CD 4.33Å; Y19-K38 HydrophobicContact CG-CG 3.76Å; Y19-I321 HydrophobicContact CD2-CD1 4Å; Y19-I321 HydrophobicContact CD2-CG1 4.03Å; Y19-I321 HydrophobicContact CD2-CG2 4.15Å; Y19-I321 HydrophobicContact CE2-CG2 4.18Å |
| 20 | Q | 96.7 | Very high | 94.1 | Very high | 94 Ų | 94 | 71.8 Ų | 71.8 | 44% | 0.439 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.5 | -36.8 | -179.6 | -70.3 | -63 | -17.3 | 0 | 0 | 112.1 | N16 Q17 Q23 T24 | N16-Q20 VanDerWaalsContact O-CG 3.28Å; N16-Q20 WeakPolarHBondContact O-CG 3.41Å; N16-Q20 PolarHBondContact O-N 2.91Å; Q17-Q20 PolarHBondContact O-N 3.48Å; Q20-Q23 PolarHBondContact O-N 2.81Å; Q20-T24 VanDerWaalsContact O-CB 3.25Å; Q20-T24 WeakPolarHBondContact O-CB 3.47Å; Q20-T24 PolarHBondContact O-N 3.4Å; Q20-T24 PolarHBondContact O-OG1 2.65Å |
| 21 | R | 95.6 | Very high | 94 | Very high | 94 Ų | 94 | 74.3 Ų | 74.3 | 36% | 0.355 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.4 | -46 | 175.5 | -175.4 | 174.5 | 70 | -163.6 | 1.1 | 111.5 | E12 Q17 V18 Y19 T25 | E12-R21 IonicContact OE1-CZ 3.58Å; E12-R21 IonicContact OE1-NH1 3.48Å; E12-R21 PolarHBondContact OE1-NH1 3.37Å; E12-R21 IonicContact OE1-NH2 2.72Å; E12-R21 PolarHBondContact OE1-NH2 2.85Å; E12-R21 IonicContact OE2-CZ 3.6Å; E12-R21 IonicContact OE2-NH1 2.86Å; E12-R21 PolarHBondContact OE2-NH1 3.49Å; E12-R21 IonicContact OE2-NH2 3.45Å; E12-R21 PolarHBondContact OE2-NH2 3.45Å; Q17-R21 WeakPolarHBondContact O-CB 3.31Å; Q17-R21 PolarHBondContact O-N 3.22Å; V18-R21 PolarHBondContact O-N 3.26Å; Y19-R21 VanDerWaalsContact C-N 3.29Å; Y19-R21 PolarHBondContact O-N 3.26Å; R21-T25 PolarHBondContact O-N 2.78Å; R21-T25 PolarHBondContact O-OG1 3.25Å |
| 22 | L | 96.4 | Very high | 94 | Very high | 1 Ų | 1 | 74.3 Ų | 74.3 | 1% | 0.005 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.9 | -46.8 | 176.3 | -177.6 | 61.8 | 0 | 0 | 0 | 111.4 | I7 V18 Y19 T24 T25 L26 I321 L323 L337 L340 Y341 | I7-L22 HydrophobicContact CD1-CD2 3.73Å; V18-L22 PolarHBondContact O-N 2.89Å; V18-L22 VanDerWaalsContact O-N 3.13Å; Y19-L22 PolarHBondContact O-N 3.5Å; L22-T24 VanDerWaalsContact C-N 3.32Å; L22-T24 PolarHBondContact O-N 3.2Å; L22-T25 PolarHBondContact O-N 3.21Å; L22-T25 VanDerWaalsContact O-N 3.16Å; L22-L26 HydrophobicContact CD1-CD1 3.8Å; L22-L26 HydrophobicContact CD1-CG 3.9Å; L22-L26 HydrophobicContact CD2-CD1 4.44Å; L22-L26 HydrophobicContact CG-CD1 3.95Å; L22-L26 HydrophobicContact CG-CG 4.32Å; L22-L26 PolarHBondContact O-N 3.32Å; L22-I321 HydrophobicContact CB-CD1 4.3Å; L22-I321 HydrophobicContact CD2-CB 4.48Å; L22-I321 HydrophobicContact CD2-CD1 3.55Å; L22-I321 HydrophobicContact CD2-CG2 4.16Å; L22-L323 HydrophobicContact CD2-CD2 4.3Å; L22-L337 HydrophobicContact CD1-CD2 3.8Å; L22-L340 HydrophobicContact CD1-CD1 3.59Å; L22-Y341 HydrophobicContact CD1-CE2 4.29Å |
| 23 | Q | 96 | Very high | 94.2 | Very high | 66 Ų | 66 | 70.5 Ų | 70.5 | 31% | 0.308 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58.3 | -45 | 178.9 | -170.5 | 176.9 | 39.3 | 0 | 0 | 111.2 | Y19 Q20 T25 L26 S27 V36 | Y19-Q23 WeakPolarHBondContact O-CB 3.32Å; Y19-Q23 PolarHBondContact O-N 3.06Å; Y19-Q23 PolarHBondContact OH-NE2 3.3Å; Y19-Q23 VanDerWaalsContact OH-NE2 3.16Å; Q20-Q23 PolarHBondContact O-N 2.81Å; Q23-T25 PolarHBondContact O-N 3.34Å; Q23-L26 PolarHBondContact O-N 2.98Å; Q23-S27 VanDerWaalsContact O-CB 3.25Å; Q23-S27 WeakPolarHBondContact O-CB 3.21Å; Q23-S27 PolarHBondContact O-N 3.02Å; Q23-V36 HydrophobicContact CB-CG1 4.21Å; Q23-V36 HydrophobicContact CG-CB 4.4Å; Q23-V36 HydrophobicContact CG-CG1 4.38Å |
| 24 | T | 95.9 | Very high | 94.4 | Very high | 77 Ų | 77 | 62.6 Ų | 62.6 | 47% | 0.472 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 175.9 | -60.8 | 0 | 0 | 0 | 0 | 111.2 | Q20 L22 S27 | Q20-T24 VanDerWaalsContact O-CB 3.25Å; Q20-T24 WeakPolarHBondContact O-CB 3.47Å; Q20-T24 PolarHBondContact O-N 3.4Å; Q20-T24 PolarHBondContact O-OG1 2.65Å; L22-T24 VanDerWaalsContact C-N 3.32Å; L22-T24 PolarHBondContact O-N 3.2Å; T24-S27 PolarHBondContact O-N 2.89Å; T24-S27 PolarHBondContact O-OG 2.86Å |
| 25 | T | 95.1 | Very high | 94.4 | Very high | 33 Ų | 33 | 63.1 Ų | 63.1 | 20% | 0.202 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.8 | -49.5 | 178.9 | -60 | 0 | 0 | 0 | 0 | 111.3 | R21 L22 Q23 S27 K28 Y29 I336 L340 | R21-T25 PolarHBondContact O-N 2.78Å; R21-T25 PolarHBondContact O-OG1 3.25Å; L22-T25 PolarHBondContact O-N 3.21Å; L22-T25 VanDerWaalsContact O-N 3.16Å; Q23-T25 PolarHBondContact O-N 3.34Å; T25-S27 VanDerWaalsContact C-N 3.32Å; T25-S27 PolarHBondContact O-N 3.3Å; T25-K28 WeakPolarHBondContact O-CB 3.44Å; T25-K28 PolarHBondContact O-N 2.83Å; T25-Y29 VanDerWaalsContact O-CD2 3.26Å; T25-Y29 WeakPolarHBondContact O-CD2 3.43Å; T25-I336 HydrophobicContact CG2-CG2 4.15Å; T25-L340 HydrophobicContact CG2-CD1 4.05Å; T25-L340 HydrophobicContact CG2-CD2 4.37Å |
| 26 | L | 95.7 | Very high | 94.5 | Very high | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -73.4 | -21.3 | -178.9 | -65.6 | -176.7 | 0 | 0 | 0 | 113.2 | L22 Q23 K28 Y29 C33 V36 L323 L333 I336 | L22-L26 HydrophobicContact CD1-CD1 3.8Å; L22-L26 HydrophobicContact CD1-CG 3.9Å; L22-L26 HydrophobicContact CD2-CD1 4.44Å; L22-L26 HydrophobicContact CG-CD1 3.95Å; L22-L26 HydrophobicContact CG-CG 4.32Å; L22-L26 PolarHBondContact O-N 3.32Å; Q23-L26 PolarHBondContact O-N 2.98Å; L26-K28 PolarHBondContact O-N 3.04Å; L26-K28 VanDerWaalsContact O-N 3.16Å; L26-Y29 CarbonylContact O-C 3.54Å; L26-Y29 WeakPolarHBondContact O-CA 3.39Å; L26-Y29 PolarHBondContact O-N 3.14Å; L26-C33 HydrophobicContact CD1-CB 4.35Å; L26-V36 HydrophobicContact CB-CG2 3.92Å; L26-V36 HydrophobicContact CD1-CG2 3.76Å; L26-V36 HydrophobicContact CG-CG2 4.5Å; L26-L323 HydrophobicContact CD1-CD1 4.43Å; L26-L323 HydrophobicContact CD1-CD2 3.77Å; L26-L333 HydrophobicContact CD1-CD1 4.17Å; L26-L333 HydrophobicContact CD2-CD1 3.45Å; L26-L333 VanDerWaalsContact CD2-CD1 3.45Å; L26-L333 HydrophobicContact CG-CD1 4.49Å; L26-I336 HydrophobicContact CD2-CG2 3.97Å |
| 27 | S | 93.6 | Very high | 94.6 | Very high | 61 Ų | 61 | 60.2 Ų | 60.2 | 43% | 0.427 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.9 | -24.1 | 174.2 | 77.1 | 0 | 0 | 0 | 0 | 113.2 | Q23 T24 T25 Y29 | Q23-S27 VanDerWaalsContact O-CB 3.25Å; Q23-S27 WeakPolarHBondContact O-CB 3.21Å; Q23-S27 PolarHBondContact O-N 3.02Å; T24-S27 PolarHBondContact O-N 2.89Å; T24-S27 PolarHBondContact O-OG 2.86Å; T25-S27 VanDerWaalsContact C-N 3.32Å; T25-S27 PolarHBondContact O-N 3.3Å; S27-Y29 PolarHBondContact O-N 2.64Å |
| 28 | K | 93.7 | Very high | 94.7 | Very high | 156 Ų | 156 | 57.5 Ų | 57.5 | 68% | 0.678 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -10.4 | 173.8 | -57.6 | 177.3 | -176.6 | 176.8 | 0 | 113 | T25 L26 | T25-K28 WeakPolarHBondContact O-CB 3.44Å; T25-K28 PolarHBondContact O-N 2.83Å; L26-K28 PolarHBondContact O-N 3.04Å; L26-K28 VanDerWaalsContact O-N 3.16Å |
| 29 | Y | 92.4 | Very high | 94.8 | Very high | 82 Ų | 82 | 57.6 Ų | 57.6 | 32% | 0.322 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.7 | 50.6 | -172.1 | -57.7 | -73 | 0 | 0 | 0 | 111.8 | T25 L26 S27 D31 I32 C33 I336 | T25-Y29 VanDerWaalsContact O-CD2 3.26Å; T25-Y29 WeakPolarHBondContact O-CD2 3.43Å; L26-Y29 CarbonylContact O-C 3.54Å; L26-Y29 WeakPolarHBondContact O-CA 3.39Å; L26-Y29 PolarHBondContact O-N 3.14Å; S27-Y29 PolarHBondContact O-N 2.64Å; Y29-D31 PolarHBondContact O-N 3.41Å; Y29-I32 HydrophobicContact CD1-CD1 3.56Å; Y29-I32 HydrophobicContact CE1-CD1 4.46Å; Y29-I32 HydrophobicContact CG-CD1 3.7Å; Y29-I32 WeakPolarHBondContact O-CA 3.39Å; Y29-I32 WeakPolarHBondContact O-CB 3.3Å; Y29-I32 PolarHBondContact O-N 3.14Å; Y29-C33 PolarHBondContact O-N 3.31Å; Y29-I336 HydrophobicContact CD1-CD1 4.23Å; Y29-I336 HydrophobicContact CD2-CD1 3.77Å; Y29-I336 HydrophobicContact CE1-CD1 4.38Å; Y29-I336 HydrophobicContact CE2-CD1 3.95Å; Y29-I336 HydrophobicContact CG-CD1 3.92Å |
| 30 | K | 89.8 | Confident | 94.8 | Very high | 161 Ų | 161 | 60.4 Ų | 60.4 | 70% | 0.7 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -24.3 | -178.7 | -66.3 | -172.3 | 178.6 | -177.8 | 0 | 113.8 | I32 | K30-I32 VanDerWaalsContact C-N 3.28Š|
| 31 | D | 93.4 | Very high | 94.8 | Very high | 79 Ų | 79 | 57 Ų | 57 | 42% | 0.422 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -27.7 | 172.7 | 62.7 | -46.7 | 0 | 0 | 0 | 112.3 | Y29 N326 Q329 | Y29-D31 PolarHBondContact O-N 3.41Å; D31-N326 WeakPolarHBondContact O-CB 3.46Å; D31-N326 PolarHBondContact O-ND2 3.05Å; D31-Q329 PolarHBondContact O-OE1 2.91Å; D31-Q329 PolarHBondContact OD2-NE2 3.12Å; D31-Q329 PolarHBondContact OD2-OE1 3.06Å; D31-Q329 VanDerWaalsContact OD2-OE1 3.11Å |
| 32 | I | 94 | Very high | 94.8 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -45.8 | -178.9 | -56.9 | 177.6 | 0 | 0 | 0 | 111.6 | Y29 K30 N326 Q329 K332 L333 I336 | Y29-I32 HydrophobicContact CD1-CD1 3.56Å; Y29-I32 HydrophobicContact CE1-CD1 4.46Å; Y29-I32 HydrophobicContact CG-CD1 3.7Å; Y29-I32 WeakPolarHBondContact O-CA 3.39Å; Y29-I32 WeakPolarHBondContact O-CB 3.3Å; Y29-I32 PolarHBondContact O-N 3.14Å; K30-I32 VanDerWaalsContact C-N 3.28Å; I32-N326 WeakPolarHBondContact O-CB 3.2Å; I32-N326 PolarHBondContact O-N 2.83Å; I32-Q329 HydrophobicContact CB-CB 4.42Å; I32-Q329 HydrophobicContact CG1-CB 4.34Å; I32-Q329 HydrophobicContact CG2-CB 4.27Å; I32-K332 HydrophobicContact CD1-CB 4.29Å; I32-K332 HydrophobicContact CD1-CD 3.41Å; I32-K332 VanDerWaalsContact CD1-CD 3.41Å; I32-K332 VanDerWaalsContact CD1-CE 3.4Å; I32-K332 HydrophobicContact CD1-CG 3.71Å; I32-K332 HydrophobicContact CG1-CD 3.97Å; I32-L333 HydrophobicContact CG2-CB 3.5Å; I32-L333 VanDerWaalsContact CG2-CB 3.5Å; I32-L333 HydrophobicContact CG2-CD1 3.96Å; I32-L333 HydrophobicContact CG2-CG 4.16Å; I32-I336 HydrophobicContact CD1-CD1 3.43Å; I32-I336 VanDerWaalsContact CD1-CD1 3.43Å |
| 33 | C | 94.3 | Very high | 94.5 | Very high | 4 Ų | 4 | 57.4 Ų | 57.4 | 3% | 0.027 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 112.5 | -177.1 | -165.1 | 0 | 0 | 0 | 0 | 108.8 | L26 Y29 Q35 L333 | L26-C33 HydrophobicContact CD1-CB 4.35Å; Y29-C33 PolarHBondContact O-N 3.31Å; C33-Q35 PolarHBondContact SG-O 3.25Å; C33-L333 HydrophobicContact CB-CD1 4.21Å; C33-L333 HydrophobicContact CB-CD2 4.11Å |
| 34 | S | 92.7 | Very high | 94.3 | Very high | 71 Ų | 71 | 58.7 Ų | 58.7 | 50% | 0.497 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | -32.3 | -172.5 | 59.1 | 0 | 0 | 0 | 0 | 112.6 | E324 | S34-E324 PolarHBondContact N-O 3.47Å; S34-E324 WeakPolarHBondContact OG-CB 3.3Å; S34-E324 VanDerWaalsContact OG-CG 3.27Å; S34-E324 WeakPolarHBondContact OG-CG 3.39Å; S34-E324 PolarHBondContact OG-O 3.46Å; S34-E324 VanDerWaalsContact OG-O 3.12Å; S34-E324 PolarHBondContact OG-OE2 3.29Å |
| 35 | Q | 92.5 | Very high | 94.2 | Very high | 76 Ų | 76 | 55.4 Ų | 55.4 | 36% | 0.355 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 145.4 | 178 | -59.7 | -170.9 | 35.1 | 0 | 0 | 111.6 | C33 T105 L323 E324 | C33-Q35 PolarHBondContact SG-O 3.25Å; Q35-T105 VanDerWaalsContact OE1-CG2 3.29Å; Q35-L323 WeakPolarHBondContact O-CA 3.33Å; Q35-E324 HydrophobicContact CB-CB 3.8Å; Q35-E324 HydrophobicContact CG-CB 4.27Å; Q35-E324 WeakPolarHBondContact CG-OE2 3.44Å; Q35-E324 PolarHBondContact NE2-OE2 2.97Å; Q35-E324 PolarHBondContact O-N 3.47Å |
| 36 | V | 96.1 | Very high | 94.1 | Very high | 17 Ų | 17 | 59.4 Ų | 59.4 | 10% | 0.103 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 110.7 | 173.7 | -177.2 | 0 | 0 | 0 | 0 | 106.2 | Y19 Q23 L26 I321 L322 L323 | Y19-V36 HydrophobicContact CE2-CG1 4.13Å; Y19-V36 PolarHBondContact OH-O 2.92Å; Y19-V36 VanDerWaalsContact OH-O 3.08Å; Q23-V36 HydrophobicContact CB-CG1 4.21Å; Q23-V36 HydrophobicContact CG-CB 4.4Å; Q23-V36 HydrophobicContact CG-CG1 4.38Å; L26-V36 HydrophobicContact CB-CG2 3.92Å; L26-V36 HydrophobicContact CD1-CG2 3.76Å; L26-V36 HydrophobicContact CG-CG2 4.5Å; V36-I321 HydrophobicContact CG1-CG2 3.8Å; V36-L322 WeakPolarHBondContact CA-O 3.42Å; V36-L323 HydrophobicContact CB-CD2 4.21Å; V36-L323 HydrophobicContact CG1-CD2 3.81Å; V36-L323 HydrophobicContact CG2-CD2 3.89Å |
| 37 | N | 96.6 | Very high | 93.9 | Very high | 47 Ų | 47 | 60.5 Ų | 60.5 | 25% | 0.251 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 149.3 | -176 | -62.6 | 88.2 | 0 | 0 | 0 | 109.9 | F39 I321 L322 | N37-F39 PolarHBondContact O-N 3.17Å; N37-I321 CarbonylContact O-C 3.35Å; N37-I321 WeakPolarHBondContact O-CA 3.38Å; N37-I321 WeakPolarHBondContact O-CG2 3.17Å; N37-L322 HydrophobicContact CB-CB 4.42Å; N37-L322 PolarHBondContact N-O 3.28Å; N37-L322 PolarHBondContact O-N 3.19Å |
| 38 | K | 96.7 | Very high | 93.8 | Very high | 64 Ų | 64 | 60.1 Ų | 60.1 | 28% | 0.278 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 136 | 167.6 | -68 | -175 | -177.4 | 175.9 | 0 | 109.3 | N16 Y19 | N16-K38 PolarHBondContact OD1-NZ 3.04Å; Y19-K38 HydrophobicContact CD1-CD 4.32Å; Y19-K38 HydrophobicContact CD1-CG 4Å; Y19-K38 HydrophobicContact CD2-CG 3.55Å; Y19-K38 HydrophobicContact CE1-CG 4.03Å; Y19-K38 HydrophobicContact CE2-CB 4.43Å; Y19-K38 HydrophobicContact CE2-CG 3.57Å; Y19-K38 HydrophobicContact CG-CD 4.33Å; Y19-K38 HydrophobicContact CG-CG 3.76Å |
| 39 | F | 97.7 | Very high | 93.8 | Very high | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.018 | 30% | 0.304 | C | S | . | . | trans | -102 | 103.9 | 170.3 | -171.3 | -104.8 | 0 | 0 | 0 | 108 | I6 N37 I41 L104 F107 V297 A301 A320 L322 | I6-F39 HydrophobicContact CD1-CD1 4.41Å; I6-F39 HydrophobicContact CD1-CD2 4.39Å; I6-F39 HydrophobicContact CD1-CE1 3.98Å; I6-F39 HydrophobicContact CD1-CE2 3.96Å; I6-F39 HydrophobicContact CD1-CZ 3.74Å; I6-F39 HydrophobicContact CG1-CD2 4.42Å; I6-F39 HydrophobicContact CG1-CE2 4.46Å; I6-F39 HydrophobicContact CG1-CG 4.49Å; I6-F39 HydrophobicContact CG2-CB 4.28Å; I6-F39 HydrophobicContact CG2-CD1 3.68Å; I6-F39 HydrophobicContact CG2-CE1 4.17Å; I6-F39 HydrophobicContact CG2-CG 3.97Å; N37-F39 PolarHBondContact O-N 3.17Å; F39-I41 HydrophobicContact CD1-CD1 3.86Å; F39-I41 HydrophobicContact CD1-CG1 3.69Å; F39-I41 HydrophobicContact CE1-CD1 4.05Å; F39-I41 HydrophobicContact CE1-CG1 3.87Å; F39-I41 PolarHBondContact O-N 3.18Å; F39-I41 VanDerWaalsContact O-N 3.13Å; F39-L104 HydrophobicContact CE2-CD1 4.09Å; F39-F107 HydrophobicContact CD2-CB 4.24Å; F39-F107 AromaticContact CD2-CD1 3.96Å; F39-F107 HydrophobicContact CD2-CD1 3.96Å; F39-F107 HydrophobicContact CD2-CG 4.39Å; F39-F107 HydrophobicContact CE1-CD1 4.17Å; F39-F107 HydrophobicContact CE1-CE1 4.14Å; F39-F107 HydrophobicContact CE2-CB 3.81Å; F39-F107 AromaticContact CE2-CD1 3.37Å; F39-F107 HydrophobicContact CE2-CD1 3.37Å; F39-F107 HydrophobicContact CE2-CE1 4.07Å; F39-F107 AromaticContact CE2-CG 3.65Å; F39-F107 HydrophobicContact CE2-CG 3.65Å; F39-F107 AromaticContact CZ-CD1 3.49Å; F39-F107 HydrophobicContact CZ-CD1 3.49Å; F39-F107 VanDerWaalsContact CZ-CD1 3.49Å; F39-F107 AromaticContact CZ-CE1 3.68Å; F39-F107 HydrophobicContact CZ-CE1 3.68Å; F39-F107 HydrophobicContact CZ-CG 4.06Å; F39-F107 HydrophobicContact CZ-CZ 4.37Å; F39-V297 HydrophobicContact CE2-CG1 3.94Å; F39-V297 HydrophobicContact CZ-CG1 3.89Å; F39-A301 HydrophobicContact CE1-CB 3.69Å; F39-A301 HydrophobicContact CZ-CB 4.04Å; F39-A320 HydrophobicContact CB-CB 4.18Å; F39-A320 HydrophobicContact CD1-CB 4.29Å; F39-A320 PolarHBondContact N-O 3.36Å; F39-A320 WeakPolarHBondContact O-CB 3.41Å; F39-L322 HydrophobicContact CB-CB 4.3Å | ||
| 40 | N | 95.4 | Very high | 93.9 | Very high | 80 Ų | 80 | 57.4 Ų | 57.4 | 43% | 0.428 | 32% | 0.315 | S | S | . | . | trans | -80 | 100 | -166.6 | -62.6 | -42.6 | 0 | 0 | 0 | 111.2 | ||||
| 41 | I | 96.7 | Very high | 94.1 | Very high | 22 Ų | 22 | 56.1 Ų | 56.1 | 11% | 0.113 | 32% | 0.316 | C | S | . | . | trans | -100.7 | 132.7 | 173.7 | -58.7 | 179.2 | 0 | 0 | 0 | 108.4 | F39 F45 A301 V304 F305 F318 A320 | F39-I41 HydrophobicContact CD1-CD1 3.86Å; F39-I41 HydrophobicContact CD1-CG1 3.69Å; F39-I41 HydrophobicContact CE1-CD1 4.05Å; F39-I41 HydrophobicContact CE1-CG1 3.87Å; F39-I41 PolarHBondContact O-N 3.18Å; F39-I41 VanDerWaalsContact O-N 3.13Å; I41-F45 HydrophobicContact CG2-CD2 4.31Å; I41-F45 HydrophobicContact CG2-CE2 3.83Å; I41-A301 HydrophobicContact CD1-CB 4.44Å; I41-A301 HydrophobicContact CG1-CB 4.15Å; I41-V304 HydrophobicContact CD1-CB 3.57Å; I41-V304 HydrophobicContact CD1-CG1 3.4Å; I41-V304 HydrophobicContact CD1-CG2 4.48Å; I41-F305 HydrophobicContact CG2-CB 4.06Å; I41-F305 HydrophobicContact CG2-CD2 4.03Å; I41-F305 HydrophobicContact CG2-CG 4.5Å; I41-F318 HydrophobicContact CD1-CE2 4.25Å; I41-F318 HydrophobicContact CG2-CZ 4.42Å; I41-A320 HydrophobicContact CD1-CB 3.67Å; I41-A320 HydrophobicContact CG1-CB 4.2Å | ||
| 42 | P | 95.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | trans | -57.2 | 125.7 | 175.2 | -24.9 | 32.8 | 0 | 0 | 0 | 112.2 | D44 F45 W109 Y111 V116 | P42-D44 VanDerWaalsContact C-N 3.27Å; P42-D44 WeakPolarHBondContact CB-OD1 3.4Å; P42-D44 PolarHBondContact O-N 3.05Å; P42-F45 HydrophobicContact CB-CD2 4.22Å; P42-F45 HydrophobicContact CB-CE1 4.37Å; P42-F45 HydrophobicContact CB-CE2 3.96Å; P42-F45 HydrophobicContact CB-CZ 4.02Å; P42-F45 HydrophobicContact CG-CE1 4.31Å; P42-F45 HydrophobicContact CG-CE2 3.93Å; P42-F45 HydrophobicContact CG-CZ 3.71Å; P42-F45 VanDerWaalsContact O-CD2 3.22Å; P42-F45 WeakPolarHBondContact O-CD2 3.28Å; P42-W109 HydrophobicContact CG-CB 3.6Å; P42-W109 HydrophobicContact CG-CD2 3.76Å; P42-W109 HydrophobicContact CG-CE3 4.35Å; P42-W109 HydrophobicContact CG-CG 3.37Å; P42-Y111 HydrophobicContact CG-CE1 4.3Å; P42-V116 HydrophobicContact CB-CG1 3.64Å; P42-V116 HydrophobicContact CG-CG1 3.75Å | ||
| 43 | P | 90.5 | Very high | 94.2 | Very high | 103 Ų | 103 | 56.2 Ų | 56.2 | 67% | 0.669 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -16.2 | 179.4 | 31.8 | -35.4 | 0 | 0 | 0 | 112.8 | ||
| 44 | D | 91.2 | Very high | 94.3 | Very high | 93 Ų | 93 | 59.8 Ų | 59.8 | 50% | 0.497 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 12.3 | -170.5 | 63.8 | -37 | 0 | 0 | 0 | 114 | P42 K46 V116 | P42-D44 VanDerWaalsContact C-N 3.27Å; P42-D44 WeakPolarHBondContact CB-OD1 3.4Å; P42-D44 PolarHBondContact O-N 3.05Å; D44-K46 PolarHBondContact O-N 3.02Å; D44-V116 WeakPolarHBondContact OD2-CG2 3.4Å |
| 45 | F | 94.8 | Very high | 94.5 | Very high | 8 Ų | 8 | 58 Ų | 58 | 4% | 0.035 | 33% | 0.33 | C | S | . | . | trans | -56.1 | 139.2 | 172.6 | -77.7 | -51.4 | 0 | 0 | 0 | 111.6 | I41 P42 V47 W109 V116 L120 L123 L302 F305 | I41-F45 HydrophobicContact CG2-CD2 4.31Å; I41-F45 HydrophobicContact CG2-CE2 3.83Å; P42-F45 HydrophobicContact CB-CD2 4.22Å; P42-F45 HydrophobicContact CB-CE1 4.37Å; P42-F45 HydrophobicContact CB-CE2 3.96Å; P42-F45 HydrophobicContact CB-CZ 4.02Å; P42-F45 HydrophobicContact CG-CE1 4.31Å; P42-F45 HydrophobicContact CG-CE2 3.93Å; P42-F45 HydrophobicContact CG-CZ 3.71Å; P42-F45 VanDerWaalsContact O-CD2 3.22Å; P42-F45 WeakPolarHBondContact O-CD2 3.28Å; F45-V47 PolarHBondContact O-N 3.48Å; F45-W109 AromaticContact CE1-CE2 3.9Å; F45-W109 HydrophobicContact CE1-CH2 4.13Å; F45-W109 AromaticContact CE1-CZ2 3.66Å; F45-W109 HydrophobicContact CE1-CZ2 3.66Å; F45-W109 AromaticContact CZ-CD2 3.89Å; F45-W109 HydrophobicContact CZ-CD2 3.89Å; F45-W109 AromaticContact CZ-CE2 3.63Å; F45-W109 AromaticContact CZ-CE3 3.93Å; F45-W109 HydrophobicContact CZ-CE3 3.93Å; F45-W109 AromaticContact CZ-CH2 3.57Å; F45-W109 HydrophobicContact CZ-CH2 3.57Å; F45-W109 AromaticContact CZ-CZ2 3.47Å; F45-W109 HydrophobicContact CZ-CZ2 3.47Å; F45-W109 VanDerWaalsContact CZ-CZ2 3.47Å; F45-W109 AromaticContact CZ-CZ3 3.78Å; F45-W109 HydrophobicContact CZ-CZ3 3.78Å; F45-V116 HydrophobicContact CD1-CB 4.19Å; F45-V116 HydrophobicContact CD1-CG1 4.11Å; F45-V116 HydrophobicContact CE1-CB 4.28Å; F45-V116 HydrophobicContact CE1-CG1 3.74Å; F45-V116 HydrophobicContact CZ-CG1 4.42Å; F45-L120 HydrophobicContact CB-CD2 4.04Å; F45-L120 HydrophobicContact CD1-CD2 4.16Å; F45-L120 HydrophobicContact CD2-CD2 4.43Å; F45-L120 HydrophobicContact CG-CD2 3.99Å; F45-L123 HydrophobicContact CD1-CD1 3.83Å; F45-L123 HydrophobicContact CE1-CD1 3.46Å; F45-L123 VanDerWaalsContact CE1-CD1 3.46Å; F45-L123 HydrophobicContact CZ-CD1 4.42Å; F45-L302 HydrophobicContact CE1-CD2 4.28Å; F45-L302 HydrophobicContact CE2-CD2 4.21Å; F45-L302 HydrophobicContact CZ-CD2 3.94Å; F45-F305 HydrophobicContact CB-CD1 4.42Å; F45-F305 HydrophobicContact CB-CD2 4.42Å; F45-F305 HydrophobicContact CB-CE1 3.87Å; F45-F305 HydrophobicContact CB-CE2 3.87Å; F45-F305 HydrophobicContact CB-CZ 3.57Å; F45-F305 HydrophobicContact CD2-CB 4.43Å; F45-F305 HydrophobicContact CD2-CD1 4.24Å; F45-F305 AromaticContact CD2-CD2 3.61Å; F45-F305 HydrophobicContact CD2-CD2 3.61Å; F45-F305 HydrophobicContact CD2-CE1 4.46Å; F45-F305 AromaticContact CD2-CE2 3.85Å; F45-F305 HydrophobicContact CD2-CE2 3.85Å; F45-F305 AromaticContact CD2-CG 3.82Å; F45-F305 HydrophobicContact CD2-CG 3.82Å; F45-F305 HydrophobicContact CD2-CZ 4.28Å; F45-F305 HydrophobicContact CE2-CD2 4.41Å; F45-F305 HydrophobicContact CE2-CG 4.5Å; F45-F305 HydrophobicContact CG-CE2 4.38Å; F45-F305 HydrophobicContact CG-CZ 4.44Å | ||
| 46 | K | 92.6 | Very high | 94.7 | Very high | 117 Ų | 117 | 54.6 Ų | 54.6 | 51% | 0.509 | 31% | 0.314 | S | S | . | . | B | Isolated β-bridge | trans | -70.6 | 98.2 | 171.4 | -72 | -178 | 173.7 | 171.6 | 0 | 110.3 | D44 G48 K117 | D44-K46 PolarHBondContact O-N 3.02Å; K46-G48 VanDerWaalsContact C-N 3.31Å; K46-G48 PolarHBondContact O-N 2.92Å; K46-K117 WeakPolarHBondContact CD-O 3.44Å; K46-K117 WeakPolarHBondContact CE-O 3.4Å; K46-K117 PolarHBondContact NZ-O 3.4Å |
| 47 | V | 91.6 | Very high | 94.8 | Very high | 24 Ų | 24 | 54.7 Ų | 54.7 | 15% | 0.145 | 32% | 0.316 | C | S | . | . | trans | -52.7 | -44.3 | -177.9 | 179.7 | 0 | 0 | 0 | 0 | 112.8 | F45 L53 F305 V309 L314 V316 | F45-V47 PolarHBondContact O-N 3.48Å; V47-L53 HydrophobicContact CG1-CD1 3.68Å; V47-L53 HydrophobicContact CG1-CD2 4.24Å; V47-L53 HydrophobicContact CG1-CG 4.29Å; V47-L53 VanDerWaalsContact O-CD2 3.26Å; V47-L53 WeakPolarHBondContact O-CD2 3.37Å; V47-F305 HydrophobicContact CG2-CE1 4.23Å; V47-F305 HydrophobicContact CG2-CZ 3.95Å; V47-V309 HydrophobicContact CG1-CG1 3.87Å; V47-L314 HydrophobicContact CG1-CD2 4.26Å; V47-L314 HydrophobicContact CG2-CD2 4.12Å; V47-V316 HydrophobicContact CG2-CG2 3.83Å | ||
| 48 | G | 92.1 | Very high | 94.8 | Very high | 54 Ų | 54 | 57.3 Ų | 57.3 | 56% | 0.557 | 33% | 0.33 | S | S | * | . | trans | 79.8 | -159.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K46 | K46-G48 VanDerWaalsContact C-N 3.31Å; K46-G48 PolarHBondContact O-N 2.92Å | ||
| 49 | T | 93.9 | Very high | 94.9 | Very high | 74 Ų | 74 | 58.2 Ų | 58.2 | 45% | 0.454 | 34% | 0.335 | S | S | . | . | trans | -91.6 | 162.4 | 176.6 | 63.6 | 0 | 0 | 0 | 0 | 111.1 | D51 I52 L53 | T49-D51 VanDerWaalsContact C-N 3.29Å; T49-D51 PolarHBondContact O-N 3.11Å; T49-I52 PolarHBondContact O-N 3.09Å; T49-I52 VanDerWaalsContact O-N 3.17Å; T49-I52 WeakPolarHBondContact OG1-CD1 3.44Å; T49-I52 WeakPolarHBondContact OG1-CG1 3.46Å; T49-I52 PolarHBondContact OG1-N 3.02Å; T49-L53 PolarHBondContact O-N 2.73Å; T49-L53 VanDerWaalsContact O-N 3.1Å | ||
| 50 | L | 92.7 | Very high | 94.9 | Very high | 107 Ų | 107 | 58.2 Ų | 58.2 | 56% | 0.56 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -56.7 | -43 | 176.5 | -176.2 | 62.7 | 0 | 0 | 0 | 111.9 | I52 L53 V54 L310 | L50-I52 VanDerWaalsContact C-N 3.29Å; L50-I52 PolarHBondContact O-N 2.97Å; L50-L53 WeakPolarHBondContact O-CB 3.17Å; L50-L53 PolarHBondContact O-N 3.02Å; L50-L53 VanDerWaalsContact O-N 3.11Å; L50-V54 HydrophobicContact CD1-CG2 4.47Å; L50-V54 WeakPolarHBondContact O-CG2 3.43Å; L50-V54 PolarHBondContact O-N 3.31Å; L50-L310 HydrophobicContact CD1-CD2 3.5Å |
| 51 | D | 94.1 | Very high | 95 | Very high | 134 Ų | 134 | 56.5 Ų | 56.5 | 72% | 0.717 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -58.6 | -40.7 | 178.1 | -54.2 | -56.8 | 0 | 0 | 0 | 112.3 | T49 G55 | T49-D51 VanDerWaalsContact C-N 3.29Å; T49-D51 PolarHBondContact O-N 3.11Å; D51-G55 PolarHBondContact O-N 3.03Å; D51-G55 VanDerWaalsContact O-N 3.16Å |
| 52 | I | 94.7 | Very high | 95.1 | Very high | 77 Ų | 77 | 62.5 Ų | 62.5 | 40% | 0.395 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.1 | -42.2 | 177.2 | -68.7 | 169 | 0 | 0 | 0 | 110.3 | T49 L50 G55 L56 | T49-I52 PolarHBondContact O-N 3.09Å; T49-I52 VanDerWaalsContact O-N 3.17Å; T49-I52 WeakPolarHBondContact OG1-CD1 3.44Å; T49-I52 WeakPolarHBondContact OG1-CG1 3.46Å; T49-I52 PolarHBondContact OG1-N 3.02Å; L50-I52 VanDerWaalsContact C-N 3.29Å; L50-I52 PolarHBondContact O-N 2.97Å; I52-G55 PolarHBondContact O-N 2.98Å; I52-L56 HydrophobicContact CG2-CD1 3.67Å; I52-L56 HydrophobicContact CG2-CG 4.18Å; I52-L56 VanDerWaalsContact O-CB 3.29Å; I52-L56 WeakPolarHBondContact O-CB 3.37Å; I52-L56 VanDerWaalsContact O-CG 3.25Å; I52-L56 WeakPolarHBondContact O-CG 3.35Å; I52-L56 PolarHBondContact O-N 2.81Å |
| 53 | L | 96.3 | Very high | 95.2 | Very high | 4 Ų | 4 | 62.7 Ų | 62.7 | 2% | 0.021 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.7 | -42.1 | 179.4 | -68.9 | 177.3 | 0 | 0 | 0 | 112.5 | V47 T49 L50 L56 S57 L120 V306 V309 L310 | V47-L53 HydrophobicContact CG1-CD1 3.68Å; V47-L53 HydrophobicContact CG1-CD2 4.24Å; V47-L53 HydrophobicContact CG1-CG 4.29Å; V47-L53 VanDerWaalsContact O-CD2 3.26Å; V47-L53 WeakPolarHBondContact O-CD2 3.37Å; T49-L53 PolarHBondContact O-N 2.73Å; T49-L53 VanDerWaalsContact O-N 3.1Å; L50-L53 WeakPolarHBondContact O-CB 3.17Å; L50-L53 PolarHBondContact O-N 3.02Å; L50-L53 VanDerWaalsContact O-N 3.11Å; L53-L56 PolarHBondContact O-N 2.76Å; L53-S57 PolarHBondContact O-N 2.81Å; L53-L120 HydrophobicContact CD2-CD1 3.77Å; L53-V306 HydrophobicContact CB-CG1 4.37Å; L53-V306 HydrophobicContact CD2-CG1 4.28Å; L53-V306 HydrophobicContact CD2-CG2 4.14Å; L53-V306 WeakPolarHBondContact O-CG1 3.46Å; L53-V309 HydrophobicContact CD1-CB 4.27Å; L53-V309 HydrophobicContact CD1-CG1 3.59Å; L53-L310 HydrophobicContact CB-CD1 4.46Å; L53-L310 HydrophobicContact CB-CD2 3.75Å; L53-L310 HydrophobicContact CB-CG 4.15Å; L53-L310 HydrophobicContact CD1-CD2 4.25Å |
| 54 | V | 96.2 | Very high | 95.6 | Very high | 79 Ų | 79 | 58 Ų | 58 | 48% | 0.479 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.6 | -48.3 | 177.6 | 173.7 | 0 | 0 | 0 | 0 | 110.1 | L50 L56 S57 L310 | L50-V54 HydrophobicContact CD1-CG2 4.47Å; L50-V54 WeakPolarHBondContact O-CG2 3.43Å; L50-V54 PolarHBondContact O-N 3.31Å; V54-L56 PolarHBondContact O-N 3.36Å; V54-S57 PolarHBondContact O-N 2.82Å; V54-L310 HydrophobicContact CG2-CD2 4.01Å |
| 55 | G | 96.6 | Very high | 95.8 | Very high | 34 Ų | 34 | 58.2 Ų | 58.2 | 35% | 0.351 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.5 | -41.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | D51 I52 S57 D58 E59 | D51-G55 PolarHBondContact O-N 3.03Å; D51-G55 VanDerWaalsContact O-N 3.16Å; I52-G55 PolarHBondContact O-N 2.98Å; G55-S57 VanDerWaalsContact C-N 3.35Å; G55-S57 PolarHBondContact O-N 2.79Å; G55-D58 PolarHBondContact O-N 2.88Å; G55-E59 WeakPolarHBondContact O-CG 3.2Å; G55-E59 PolarHBondContact O-N 3Å; G55-E59 VanDerWaalsContact O-N 3.15Å |
| 56 | L | 97.3 | Very high | 96 | Very high | 3 Ų | 3 | 61.2 Ų | 61.2 | 2% | 0.016 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.6 | -31.6 | 178.3 | -78.8 | 175 | 0 | 0 | 0 | 113.4 | I52 L53 V54 D58 E59 L60 L120 | I52-L56 HydrophobicContact CG2-CD1 3.67Å; I52-L56 HydrophobicContact CG2-CG 4.18Å; I52-L56 VanDerWaalsContact O-CB 3.29Å; I52-L56 WeakPolarHBondContact O-CB 3.37Å; I52-L56 VanDerWaalsContact O-CG 3.25Å; I52-L56 WeakPolarHBondContact O-CG 3.35Å; I52-L56 PolarHBondContact O-N 2.81Å; L53-L56 PolarHBondContact O-N 2.76Å; V54-L56 PolarHBondContact O-N 3.36Å; L56-D58 VanDerWaalsContact C-N 3.35Å; L56-E59 PolarHBondContact O-N 2.87Å; L56-L60 HydrophobicContact CB-CD1 4.42Å; L56-L60 WeakPolarHBondContact O-CB 3.13Å; L56-L60 WeakPolarHBondContact O-CD1 3.3Å; L56-L60 WeakPolarHBondContact O-CG 3.47Å; L56-L60 PolarHBondContact O-N 2.88Å; L56-L120 HydrophobicContact CD1-CB 3.52Å; L56-L120 HydrophobicContact CD1-CD1 4.36Å |
| 57 | S | 97.5 | Very high | 96.2 | Very high | 20 Ų | 20 | 55.6 Ų | 55.6 | 14% | 0.14 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.5 | -48.5 | 175.9 | 168.9 | 0 | 0 | 0 | 0 | 110.9 | L53 V54 G55 S61 E307 | L53-S57 PolarHBondContact O-N 2.81Å; V54-S57 PolarHBondContact O-N 2.82Å; G55-S57 VanDerWaalsContact C-N 3.35Å; G55-S57 PolarHBondContact O-N 2.79Å; S57-S61 WeakPolarHBondContact O-CB 3.35Å; S57-S61 PolarHBondContact O-N 2.67Å; S57-E307 PolarHBondContact OG-OE1 3.26Å |
| 58 | D | 96.9 | Very high | 96.5 | Very high | 102 Ų | 102 | 56.5 Ų | 56.5 | 55% | 0.545 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.5 | -43.8 | 178.4 | -77 | -25.8 | 0 | 0 | 0 | 112.3 | G55 L56 S61 K62 | G55-D58 PolarHBondContact O-N 2.88Å; L56-D58 VanDerWaalsContact C-N 3.35Å; D58-S61 WeakPolarHBondContact O-CB 3.33Å; D58-S61 PolarHBondContact O-N 3.24Å; D58-K62 WeakPolarHBondContact O-CG 3.18Å; D58-K62 PolarHBondContact O-N 3.28Å |
| 59 | E | 98 | Very high | 96.7 | Very high | 83 Ų | 83 | 56.3 Ų | 56.3 | 39% | 0.388 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.2 | -44.7 | 178.8 | -71.1 | -173.7 | 150.1 | 0 | 0 | 112.1 | G55 L56 S61 K62 L63 Y124 | G55-E59 WeakPolarHBondContact O-CG 3.2Å; G55-E59 PolarHBondContact O-N 3Å; G55-E59 VanDerWaalsContact O-N 3.15Å; L56-E59 PolarHBondContact O-N 2.87Å; E59-S61 VanDerWaalsContact C-N 3.29Å; E59-S61 PolarHBondContact O-N 2.75Å; E59-K62 PolarHBondContact O-N 3.14Å; E59-L63 WeakPolarHBondContact O-CB 3.47Å; E59-L63 PolarHBondContact O-N 3.16Å; E59-Y124 HydrophobicContact CB-CD2 4.42Å; E59-Y124 HydrophobicContact CB-CE2 3.77Å |
| 60 | L | 98.4 | Very high | 96.8 | Very high | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.016 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.2 | -33.6 | 176.6 | -73 | 166.6 | 0 | 0 | 0 | 111.8 | L56 L63 D64 Y124 I299 L302 R303 V306 | L56-L60 HydrophobicContact CB-CD1 4.42Å; L56-L60 WeakPolarHBondContact O-CB 3.13Å; L56-L60 WeakPolarHBondContact O-CD1 3.3Å; L56-L60 WeakPolarHBondContact O-CG 3.47Å; L56-L60 PolarHBondContact O-N 2.88Å; L60-L63 PolarHBondContact O-N 3.29Å; L60-D64 VanDerWaalsContact O-CB 3.32Å; L60-D64 WeakPolarHBondContact O-CB 3.36Å; L60-D64 PolarHBondContact O-N 3.42Å; L60-Y124 HydrophobicContact CD2-CD2 3.93Å; L60-Y124 HydrophobicContact CG-CD2 4.36Å; L60-I299 HydrophobicContact CD2-CG2 4.32Å; L60-L302 HydrophobicContact CD1-CB 4.02Å; L60-L302 HydrophobicContact CD2-CB 3.91Å; L60-L302 HydrophobicContact CD2-CD1 4.11Å; L60-R303 HydrophobicContact CB-CG 3.64Å; L60-R303 HydrophobicContact CD1-CG 4.48Å; L60-V306 HydrophobicContact CD1-CB 4.37Å; L60-V306 HydrophobicContact CD1-CG2 3.8Å |
| 61 | S | 97.5 | Very high | 97.1 | Very high | 45 Ų | 45 | 47.7 Ų | 47.7 | 32% | 0.315 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.3 | -46.2 | 173.5 | -170.1 | 0 | 0 | 0 | 0 | 111.6 | S57 D58 E59 D64 V65 R303 | S57-S61 WeakPolarHBondContact O-CB 3.35Å; S57-S61 PolarHBondContact O-N 2.67Å; D58-S61 WeakPolarHBondContact O-CB 3.33Å; D58-S61 PolarHBondContact O-N 3.24Å; E59-S61 VanDerWaalsContact C-N 3.29Å; E59-S61 PolarHBondContact O-N 2.75Å; S61-D64 PolarHBondContact O-N 2.82Å; S61-V65 PolarHBondContact O-N 3.47Å; S61-R303 PolarHBondContact OG-NH2 3.25Å |
| 62 | K | 98.1 | Very high | 97.2 | Very high | 147 Ų | 147 | 44.5 Ų | 44.5 | 64% | 0.639 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -64.5 | -43.2 | 175.2 | -66.8 | 169.1 | -173 | 166.7 | 0 | 111.6 | D58 E59 D64 V65 Y66 | D58-K62 WeakPolarHBondContact O-CG 3.18Å; D58-K62 PolarHBondContact O-N 3.28Å; E59-K62 PolarHBondContact O-N 3.14Å; K62-D64 VanDerWaalsContact C-N 3.33Å; K62-D64 PolarHBondContact O-N 3.43Å; K62-V65 PolarHBondContact O-N 3.07Å; K62-Y66 WeakPolarHBondContact O-CB 3.37Å; K62-Y66 PolarHBondContact O-N 2.79Å |
| 63 | L | 98.3 | Very high | 97.3 | Very high | 5 Ų | 5 | 44.6 Ų | 44.6 | 3% | 0.026 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.2 | -34.8 | -179.9 | -177.7 | 61 | 0 | 0 | 0 | 112.2 | E59 L60 Y66 A67 Y124 L131 I299 | E59-L63 WeakPolarHBondContact O-CB 3.47Å; E59-L63 PolarHBondContact O-N 3.16Å; L60-L63 PolarHBondContact O-N 3.29Å; L63-Y66 HydrophobicContact CD1-CD1 4.09Å; L63-Y66 PolarHBondContact O-N 2.86Å; L63-A67 WeakPolarHBondContact O-CB 3.14Å; L63-A67 PolarHBondContact O-N 2.77Å; L63-Y124 HydrophobicContact CB-CD2 4.36Å; L63-Y124 HydrophobicContact CB-CE2 3.71Å; L63-Y124 HydrophobicContact CD2-CD2 3.42Å; L63-Y124 VanDerWaalsContact CD2-CD2 3.42Å; L63-Y124 HydrophobicContact CD2-CE2 3.49Å; L63-Y124 VanDerWaalsContact CD2-CE2 3.49Å; L63-Y124 HydrophobicContact CD2-CG 4.3Å; L63-Y124 HydrophobicContact CG-CD2 4.49Å; L63-Y124 HydrophobicContact CG-CE2 4.13Å; L63-L131 HydrophobicContact CD1-CD1 3.95Å; L63-I299 HydrophobicContact CD1-CD1 4.37Å; L63-I299 HydrophobicContact CD2-CD1 3.95Å; L63-I299 HydrophobicContact CD2-CG1 3.95Å; L63-I299 HydrophobicContact CG-CD1 3.67Å; L63-I299 HydrophobicContact CG-CG1 4.13Å |
| 64 | D | 98.1 | Very high | 97.4 | Very high | 6 Ų | 6 | 44.4 Ų | 44.4 | 3% | 0.032 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.4 | -47.3 | 175.8 | -170.6 | 39.4 | 0 | 0 | 0 | 111.6 | L60 S61 K62 Y66 A67 E68 I299 K300 R303 | L60-D64 VanDerWaalsContact O-CB 3.32Å; L60-D64 WeakPolarHBondContact O-CB 3.36Å; L60-D64 PolarHBondContact O-N 3.42Å; S61-D64 PolarHBondContact O-N 2.82Å; K62-D64 VanDerWaalsContact C-N 3.33Å; K62-D64 PolarHBondContact O-N 3.43Å; D64-Y66 VanDerWaalsContact C-N 3.28Å; D64-Y66 PolarHBondContact O-N 2.95Å; D64-A67 PolarHBondContact O-N 3.21Å; D64-E68 WeakPolarHBondContact O-CG 3.43Å; D64-E68 PolarHBondContact O-N 2.81Å; D64-I299 HydrophobicContact CB-CG2 3.79Å; D64-K300 WeakPolarHBondContact OD1-CG 3.36Å; D64-K300 IonicContact OD1-NZ 3.99Å; D64-K300 PolarHBondContact OD1-NZ 3.33Å; D64-K300 IonicContact OD2-NZ 2.66Å; D64-K300 PolarHBondContact OD2-NZ 2.66Å; D64-R303 IonicContact OD2-CZ 3.28Å; D64-R303 IonicContact OD2-NH1 3.25Å; D64-R303 PolarHBondContact OD2-NH1 3.41Å |
| 65 | V | 96.8 | Very high | 97.4 | Very high | 96 Ų | 96 | 40.7 Ų | 40.7 | 58% | 0.582 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -60.6 | -40.9 | 174.6 | 176.3 | 0 | 0 | 0 | 0 | 111 | S61 K62 S69 | S61-V65 PolarHBondContact O-N 3.47Å; K62-V65 PolarHBondContact O-N 3.07Å; V65-S69 WeakPolarHBondContact O-CB 3.17Å; V65-S69 PolarHBondContact O-N 2.75Å |
| 66 | Y | 98 | Very high | 97.3 | Very high | 71 Ų | 71 | 41.8 Ų | 41.8 | 28% | 0.278 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -65.1 | -43.5 | 177.1 | -177 | -125.6 | 0 | 0 | 0 | 112.4 | K62 L63 D64 S69 I70 L131 | K62-Y66 WeakPolarHBondContact O-CB 3.37Å; K62-Y66 PolarHBondContact O-N 2.79Å; L63-Y66 HydrophobicContact CD1-CD1 4.09Å; L63-Y66 PolarHBondContact O-N 2.86Å; D64-Y66 VanDerWaalsContact C-N 3.28Å; D64-Y66 PolarHBondContact O-N 2.95Å; Y66-S69 WeakPolarHBondContact O-CB 3.21Å; Y66-S69 PolarHBondContact O-N 2.92Å; Y66-I70 HydrophobicContact CD1-CD1 3.78Å; Y66-I70 HydrophobicContact CD2-CD1 4.1Å; Y66-I70 HydrophobicContact CD2-CG1 4.38Å; Y66-I70 HydrophobicContact CE1-CD1 3.39Å; Y66-I70 HydrophobicContact CE2-CD1 3.71Å; Y66-I70 HydrophobicContact CE2-CG1 4.07Å; Y66-I70 HydrophobicContact CG-CD1 4.13Å; Y66-I70 WeakPolarHBondContact O-CG1 3.29Å; Y66-I70 PolarHBondContact O-N 2.96Å; Y66-L131 HydrophobicContact CE1-CB 4.32Å |
| 67 | A | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.9 | -42.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L63 D64 S69 I70 T71 L131 M296 I299 | L63-A67 WeakPolarHBondContact O-CB 3.14Å; L63-A67 PolarHBondContact O-N 2.77Å; D64-A67 PolarHBondContact O-N 3.21Å; A67-S69 VanDerWaalsContact C-N 3.35Å; A67-I70 PolarHBondContact O-N 3.14Å; A67-T71 WeakPolarHBondContact O-CB 3.37Å; A67-T71 PolarHBondContact O-N 2.79Å; A67-T71 PolarHBondContact O-OG1 3.11Å; A67-L131 HydrophobicContact CB-CD1 3.49Å; A67-L131 VanDerWaalsContact CB-CD1 3.49Å; A67-L131 HydrophobicContact CB-CD2 4.27Å; A67-M296 HydrophobicContact CB-CB 4Å; A67-M296 HydrophobicContact CB-CG 4.17Å; A67-I299 HydrophobicContact CB-CD1 3.51Å |
| 68 | E | 96.3 | Very high | 97.3 | Very high | 42 Ų | 42 | 41.7 Ų | 41.7 | 20% | 0.196 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.8 | -45.4 | 172.9 | -76.9 | -176.2 | -171 | 0 | 0 | 111.3 | D64 I70 T71 K72 M296 K300 | D64-E68 WeakPolarHBondContact O-CG 3.43Å; D64-E68 PolarHBondContact O-N 2.81Å; E68-I70 PolarHBondContact O-N 3.17Å; E68-T71 PolarHBondContact O-N 3.01Å; E68-K72 WeakPolarHBondContact O-CB 3.36Å; E68-K72 WeakPolarHBondContact O-CG 3.49Å; E68-K72 PolarHBondContact O-N 3.14Å; E68-M296 HydrophobicContact CB-SD 4.4Å; E68-M296 HydrophobicContact CG-CG 4.08Å; E68-M296 HydrophobicContact CG-SD 3.56Å; E68-M296 VanDerWaalsContact CG-SD 3.56Å; E68-K300 IonicContact OE1-NZ 2.79Å; E68-K300 PolarHBondContact OE1-NZ 2.9Å |
| 69 | S | 96.4 | Very high | 97.2 | Very high | 50 Ų | 50 | 36.9 Ų | 36.9 | 35% | 0.35 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -59.3 | -46.8 | 177.5 | -176.5 | 0 | 0 | 0 | 0 | 112 | V65 Y66 A67 K72 K73 | V65-S69 WeakPolarHBondContact O-CB 3.17Å; V65-S69 PolarHBondContact O-N 2.75Å; Y66-S69 WeakPolarHBondContact O-CB 3.21Å; Y66-S69 PolarHBondContact O-N 2.92Å; A67-S69 VanDerWaalsContact C-N 3.35Å; S69-K72 PolarHBondContact O-N 2.64Å; S69-K73 WeakPolarHBondContact O-CB 3.47Å; S69-K73 VanDerWaalsContact O-CG 3.27Å; S69-K73 WeakPolarHBondContact O-CG 3.01Å; S69-K73 PolarHBondContact O-N 3.21Å |
| 70 | I | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.3 | -46.6 | 179.1 | -67.4 | 165.1 | 0 | 0 | 0 | 110.7 | Y66 A67 E68 K72 K73 V74 L131 V134 D135 A292 | Y66-I70 HydrophobicContact CD1-CD1 3.78Å; Y66-I70 HydrophobicContact CD2-CD1 4.1Å; Y66-I70 HydrophobicContact CD2-CG1 4.38Å; Y66-I70 HydrophobicContact CE1-CD1 3.39Å; Y66-I70 HydrophobicContact CE2-CD1 3.71Å; Y66-I70 HydrophobicContact CE2-CG1 4.07Å; Y66-I70 HydrophobicContact CG-CD1 4.13Å; Y66-I70 WeakPolarHBondContact O-CG1 3.29Å; Y66-I70 PolarHBondContact O-N 2.96Å; A67-I70 PolarHBondContact O-N 3.14Å; E68-I70 PolarHBondContact O-N 3.17Å; I70-K72 VanDerWaalsContact C-N 3.32Å; I70-K72 PolarHBondContact O-N 3.15Å; I70-K73 WeakPolarHBondContact O-CB 3.23Å; I70-K73 PolarHBondContact O-N 3.14Å; I70-V74 HydrophobicContact CG2-CG2 4.37Å; I70-V74 WeakPolarHBondContact O-CG2 3.4Å; I70-V74 PolarHBondContact O-N 3.19Å; I70-L131 HydrophobicContact CD1-CB 3.71Å; I70-L131 HydrophobicContact CD1-CD2 4.21Å; I70-L131 HydrophobicContact CD1-CG 4.47Å; I70-L131 WeakPolarHBondContact CD1-O 3.4Å; I70-L131 HydrophobicContact CG2-CD2 4.48Å; I70-V134 HydrophobicContact CG2-CB 4.26Å; I70-V134 HydrophobicContact CG2-CG1 3.78Å; I70-D135 HydrophobicContact CD1-CB 4.09Å; I70-D135 HydrophobicContact CG1-CB 4.06Å; I70-A292 HydrophobicContact CG2-CB 4.33Å |
| 71 | T | 97.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.8 | -44.2 | -179.6 | -53.7 | 0 | 0 | 0 | 0 | 111 | A67 E68 V74 A75 F289 A292 F293 M380 | A67-T71 WeakPolarHBondContact O-CB 3.37Å; A67-T71 PolarHBondContact O-N 2.79Å; A67-T71 PolarHBondContact O-OG1 3.11Å; E68-T71 PolarHBondContact O-N 3.01Å; T71-V74 PolarHBondContact O-N 3.08Å; T71-A75 PolarHBondContact O-N 3.5Å; T71-F289 HydrophobicContact CG2-CD2 4.06Å; T71-F289 HydrophobicContact CG2-CE2 3.74Å; T71-A292 PolarHBondContact OG1-O 3.18Å; T71-F293 HydrophobicContact CG2-CB 3.94Å; T71-F293 HydrophobicContact CG2-CD2 4.12Å; T71-M380 HydrophobicContact CG2-CE 4.33Å; T71-M380 HydrophobicContact CG2-SD 3.66Å |
| 72 | K | 96.4 | Very high | 96.6 | Very high | 68 Ų | 68 | 34.9 Ų | 34.9 | 30% | 0.296 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -62.7 | -43.9 | 174.3 | -74.4 | 176.5 | 177 | 176 | 0 | 112.2 | E68 S69 I70 V74 A75 Q76 E377 N379 M380 | E68-K72 WeakPolarHBondContact O-CB 3.36Å; E68-K72 WeakPolarHBondContact O-CG 3.49Å; E68-K72 PolarHBondContact O-N 3.14Å; S69-K72 PolarHBondContact O-N 2.64Å; I70-K72 VanDerWaalsContact C-N 3.32Å; I70-K72 PolarHBondContact O-N 3.15Å; K72-V74 PolarHBondContact O-N 3.13Å; K72-A75 PolarHBondContact O-N 2.98Å; K72-Q76 VanDerWaalsContact O-CB 3.27Å; K72-Q76 WeakPolarHBondContact O-CB 3.43Å; K72-Q76 PolarHBondContact O-N 2.87Å; K72-E377 IonicContact NZ-OE2 2.67Å; K72-N379 WeakPolarHBondContact CE-O 3.23Å; K72-M380 HydrophobicContact CG-SD 4.24Å |
| 73 | K | 97 | Very high | 96.3 | Very high | 79 Ų | 79 | 31.5 Ų | 31.5 | 34% | 0.343 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -59.4 | -44 | 176.2 | -75.2 | 168.7 | -178.4 | 167.6 | 0 | 112.3 | S69 I70 Y77 D135 L138 | S69-K73 WeakPolarHBondContact O-CB 3.47Å; S69-K73 VanDerWaalsContact O-CG 3.27Å; S69-K73 WeakPolarHBondContact O-CG 3.01Å; S69-K73 PolarHBondContact O-N 3.21Å; I70-K73 WeakPolarHBondContact O-CB 3.23Å; I70-K73 PolarHBondContact O-N 3.14Å; K73-Y77 WeakPolarHBondContact O-CB 3.46Å; K73-Y77 PolarHBondContact O-N 3.03Å; K73-D135 IonicContact NZ-OD1 2.89Å; K73-D135 PolarHBondContact NZ-OD1 3.28Å; K73-L138 HydrophobicContact CB-CD2 3.84Å |
| 74 | V | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64 | -46.5 | 178.5 | 178 | 0 | 0 | 0 | 0 | 110.4 | I70 T71 K72 Y77 M78 V134 L138 L285 F289 | I70-V74 HydrophobicContact CG2-CG2 4.37Å; I70-V74 WeakPolarHBondContact O-CG2 3.4Å; I70-V74 PolarHBondContact O-N 3.19Å; T71-V74 PolarHBondContact O-N 3.08Å; K72-V74 PolarHBondContact O-N 3.13Å; V74-Y77 PolarHBondContact O-N 2.87Å; V74-M78 WeakPolarHBondContact O-CB 3.45Å; V74-M78 PolarHBondContact O-N 2.9Å; V74-V134 HydrophobicContact CG2-CG1 3.91Å; V74-L138 HydrophobicContact CG2-CD2 3.92Å; V74-L285 HydrophobicContact CG1-CD2 4.13Å; V74-F289 HydrophobicContact CG1-CB 3.83Å |
| 75 | A | 96.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.5 | -45.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T71 K72 M78 G79 L93 F289 M380 | T71-A75 PolarHBondContact O-N 3.5Å; K72-A75 PolarHBondContact O-N 2.98Å; A75-M78 WeakPolarHBondContact O-CB 3.45Å; A75-M78 PolarHBondContact O-N 2.7Å; A75-G79 PolarHBondContact O-N 2.68Å; A75-L93 HydrophobicContact CB-CD1 4.17Å; A75-L93 HydrophobicContact CB-CD2 3.78Å; A75-F289 HydrophobicContact CB-CD2 4.02Å; A75-F289 HydrophobicContact CB-CE2 3.97Å; A75-M380 HydrophobicContact CB-CB 3.8Å |
| 76 | Q | 95.3 | Very high | 95.2 | Very high | 57 Ų | 57 | 43.9 Ų | 43.9 | 27% | 0.266 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.5 | -49.7 | 177.5 | -178.5 | 59.9 | 43.7 | 0 | 0 | 111.2 | K72 M78 G79 D80 | K72-Q76 VanDerWaalsContact O-CB 3.27Å; K72-Q76 WeakPolarHBondContact O-CB 3.43Å; K72-Q76 PolarHBondContact O-N 2.87Å; Q76-M78 VanDerWaalsContact C-N 3.33Å; Q76-M78 PolarHBondContact O-N 3.14Å; Q76-G79 WeakPolarHBondContact O-CA 3.21Å; Q76-G79 PolarHBondContact O-N 2.87Å; Q76-D80 PolarHBondContact NE2-OD1 2.53Å; Q76-D80 VanDerWaalsContact NE2-OD1 3.09Å; Q76-D80 PolarHBondContact O-N 3.43Å |
| 77 | Y | 97 | Very high | 94.8 | Very high | 22 Ų | 22 | 47.4 Ų | 47.4 | 9% | 0.086 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.4 | -34.2 | -178.9 | -169.8 | -114.3 | 0 | 0 | 0 | 112.4 | K73 V74 G79 D80 V81 L138 S142 N146 L281 L285 | K73-Y77 WeakPolarHBondContact O-CB 3.46Å; K73-Y77 PolarHBondContact O-N 3.03Å; V74-Y77 PolarHBondContact O-N 2.87Å; Y77-G79 PolarHBondContact O-N 3.47Å; Y77-D80 HydrophobicContact CD2-CB 4.43Å; Y77-D80 PolarHBondContact O-N 2.96Å; Y77-V81 HydrophobicContact CD1-CG2 4.04Å; Y77-V81 HydrophobicContact CE1-CG2 3.6Å; Y77-V81 HydrophobicContact CE2-CG2 4.14Å; Y77-V81 HydrophobicContact CG-CG2 4.49Å; Y77-V81 WeakPolarHBondContact O-CB 3.46Å; Y77-V81 VanDerWaalsContact O-CG2 3.31Å; Y77-V81 WeakPolarHBondContact O-CG2 3.34Å; Y77-V81 PolarHBondContact O-N 3.49Å; Y77-L138 HydrophobicContact CD1-CD1 3.77Å; Y77-L138 HydrophobicContact CG-CD1 4.27Å; Y77-S142 VanDerWaalsContact CE1-CB 3.47Å; Y77-S142 VanDerWaalsContact OH-CA 3.3Å; Y77-S142 WeakPolarHBondContact OH-CA 3.5Å; Y77-S142 PolarHBondContact OH-O 3.09Å; Y77-N146 PolarHBondContact OH-OD1 3.43Å; Y77-L281 HydrophobicContact CE1-CD1 4.42Å; Y77-L281 HydrophobicContact CE1-CD2 4.22Å; Y77-L285 HydrophobicContact CD1-CD1 3.96Å; Y77-L285 HydrophobicContact CD1-CD2 3.89Å; Y77-L285 HydrophobicContact CE1-CD1 4.33Å |
| 78 | M | 96.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.6 | -39.8 | 169.7 | -172.3 | -172.5 | -56.3 | 0 | 0 | 111.6 | V74 A75 Q76 L82 L89 N92 L93 F282 L285 K286 F289 | V74-M78 WeakPolarHBondContact O-CB 3.45Å; V74-M78 PolarHBondContact O-N 2.9Å; A75-M78 WeakPolarHBondContact O-CB 3.45Å; A75-M78 PolarHBondContact O-N 2.7Å; Q76-M78 VanDerWaalsContact C-N 3.33Å; Q76-M78 PolarHBondContact O-N 3.14Å; M78-L82 WeakPolarHBondContact O-CG 3.39Å; M78-L82 PolarHBondContact O-N 2.98Å; M78-L89 HydrophobicContact CB-CD1 3.88Å; M78-L89 HydrophobicContact CG-CD1 3.71Å; M78-L89 HydrophobicContact SD-CD1 3.76Å; M78-N92 HydrophobicContact SD-CB 3.82Å; M78-L93 HydrophobicContact CE-CD2 4.12Å; M78-L93 HydrophobicContact SD-CD2 3.92Å; M78-F282 HydrophobicContact CG-CD2 4.1Å; M78-F282 HydrophobicContact CG-CE2 3.51Å; M78-F282 HydrophobicContact CG-CZ 4.35Å; M78-F282 HydrophobicContact SD-CE2 4.22Å; M78-L285 HydrophobicContact CB-CB 4.29Å; M78-L285 HydrophobicContact CB-CD1 4.31Å; M78-L285 HydrophobicContact CE-CB 3.8Å; M78-L285 WeakPolarHBondContact CE-O 3.32Å; M78-L285 HydrophobicContact CG-CB 4.34Å; M78-K286 HydrophobicContact CE-CB 4.47Å; M78-K286 HydrophobicContact CE-CG 4.09Å; M78-K286 HydrophobicContact SD-CG 4.32Å; M78-F289 HydrophobicContact CE-CB 4.02Å |
| 79 | G | 95 | Very high | 94.4 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.1 | -41.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | A75 Q76 Y77 L82 | A75-G79 PolarHBondContact O-N 2.68Å; Q76-G79 WeakPolarHBondContact O-CA 3.21Å; Q76-G79 PolarHBondContact O-N 2.87Å; Y77-G79 PolarHBondContact O-N 3.47Å; G79-L82 PolarHBondContact O-N 2.99Å |
| 80 | D | 94.2 | Very high | 94.2 | Very high | 73 Ų | 73 | 54.4 Ų | 54.4 | 39% | 0.39 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -69.5 | -35 | -179.5 | -61.2 | -24.6 | 0 | 0 | 0 | 112 | Q76 Y77 L82 E83 | Q76-D80 PolarHBondContact NE2-OD1 2.53Å; Q76-D80 VanDerWaalsContact NE2-OD1 3.09Å; Q76-D80 PolarHBondContact O-N 3.43Å; Y77-D80 HydrophobicContact CD2-CB 4.43Å; Y77-D80 PolarHBondContact O-N 2.96Å; D80-L82 VanDerWaalsContact C-N 3.33Å; D80-E83 PolarHBondContact O-N 3.47Å |
| 81 | V | 94.7 | Very high | 93.9 | Very high | 4 Ų | 4 | 60.5 Ų | 60.5 | 2% | 0.024 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69.5 | -30.3 | 176 | 169 | 0 | 0 | 0 | 0 | 111.9 | Y77 E83 Y145 F278 L281 F282 L285 | Y77-V81 HydrophobicContact CD1-CG2 4.04Å; Y77-V81 HydrophobicContact CE1-CG2 3.6Å; Y77-V81 HydrophobicContact CE2-CG2 4.14Å; Y77-V81 HydrophobicContact CG-CG2 4.49Å; Y77-V81 WeakPolarHBondContact O-CB 3.46Å; Y77-V81 VanDerWaalsContact O-CG2 3.31Å; Y77-V81 WeakPolarHBondContact O-CG2 3.34Å; Y77-V81 PolarHBondContact O-N 3.49Å; V81-E83 PolarHBondContact O-N 3.38Å; V81-Y145 HydrophobicContact CG1-CE1 4.38Å; V81-Y145 HydrophobicContact CG2-CD1 4.3Å; V81-Y145 HydrophobicContact CG2-CE1 4.24Å; V81-F278 HydrophobicContact CG1-CD2 3.69Å; V81-F278 HydrophobicContact CG1-CE2 3.47Å; V81-F278 VanDerWaalsContact CG1-CE2 3.47Å; V81-F278 WeakPolarHBondContact O-CE2 3.49Å; V81-L281 HydrophobicContact CG1-CD2 4.44Å; V81-L281 HydrophobicContact CG2-CD2 4.04Å; V81-F282 HydrophobicContact CG1-CD2 4.37Å; V81-L285 HydrophobicContact CB-CD1 4.49Å; V81-L285 HydrophobicContact CG2-CD1 4.19Å |
| 82 | L | 94.2 | Very high | 93.8 | Very high | 11 Ų | 11 | 61.7 Ų | 61.7 | 6% | 0.058 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -18.6 | 178.2 | -80.9 | 169.3 | 0 | 0 | 0 | 113.9 | M78 G79 D80 E84 Q85 L89 F282 | M78-L82 WeakPolarHBondContact O-CG 3.39Å; M78-L82 PolarHBondContact O-N 2.98Å; G79-L82 PolarHBondContact O-N 2.99Å; D80-L82 VanDerWaalsContact C-N 3.33Å; L82-E84 PolarHBondContact O-N 3.07Å; L82-Q85 HydrophobicContact CB-CB 4.36Å; L82-Q85 HydrophobicContact CD2-CB 3.99Å; L82-Q85 WeakPolarHBondContact O-CA 3.33Å; L82-Q85 WeakPolarHBondContact O-CB 3.33Å; L82-Q85 PolarHBondContact O-N 3.43Å; L82-L89 HydrophobicContact CD1-CB 3.97Å; L82-L89 HydrophobicContact CD1-CD1 4.1Å; L82-F282 HydrophobicContact CD1-CE2 4.02Å; L82-F282 HydrophobicContact CD1-CZ 4.18Å; L82-F282 HydrophobicContact CD2-CD2 4.49Å; L82-F282 HydrophobicContact CD2-CE1 4.45Å; L82-F282 HydrophobicContact CD2-CE2 3.61Å; L82-F282 HydrophobicContact CD2-CZ 3.59Å; L82-F282 HydrophobicContact CG-CE2 3.62Å; L82-F282 HydrophobicContact CG-CZ 4.02Å |
| 83 | E | 90.3 | Very high | 93.8 | Very high | 76 Ų | 76 | 59 Ų | 59 | 36% | 0.355 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | 48.4 | -113.6 | 179 | -61.7 | 176.5 | 175.3 | 0 | 0 | 111.1 | D80 V81 Q85 K86 K149 K274 | D80-E83 PolarHBondContact O-N 3.47Å; V81-E83 PolarHBondContact O-N 3.38Å; E83-Q85 PolarHBondContact O-N 3.29Å; E83-K86 WeakPolarHBondContact O-CB 3.24Å; E83-K86 PolarHBondContact O-N 3.48Å; E83-K149 WeakPolarHBondContact OE1-CE 3.37Å; E83-K149 IonicContact OE1-NZ 3.87Å; E83-K149 PolarHBondContact OE1-NZ 2.94Å; E83-K274 IonicContact OE1-NZ 2.64Å; E83-K274 PolarHBondContact OE1-NZ 2.81Å; E83-K274 IonicContact OE2-NZ 2.73Å; E83-K274 PolarHBondContact OE2-NZ 3.37Å |
| 84 | E | 89.5 | Confident | 93.8 | Very high | 183 Ų | 183 | 57.5 Ų | 57.5 | 86% | 0.855 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -63.3 | -22.6 | 179.2 | -59.4 | 179.4 | 168.2 | 0 | 0 | 113.7 | L82 K86 H87 | L82-E84 PolarHBondContact O-N 3.07Å; E84-K86 VanDerWaalsContact C-N 3.33Å; E84-H87 PolarHBondContact O-ND1 3.08Å |
| 85 | Q | 90.7 | Very high | 93.7 | Very high | 95 Ų | 95 | 57.5 Ų | 57.5 | 44% | 0.444 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -92.5 | 14.6 | -179.8 | -56.9 | -167.6 | 27 | 0 | 0 | 113.3 | L82 E83 H87 K88 | L82-Q85 HydrophobicContact CB-CB 4.36Å; L82-Q85 HydrophobicContact CD2-CB 3.99Å; L82-Q85 WeakPolarHBondContact O-CA 3.33Å; L82-Q85 WeakPolarHBondContact O-CB 3.33Å; L82-Q85 PolarHBondContact O-N 3.43Å; E83-Q85 PolarHBondContact O-N 3.29Å; Q85-H87 PolarHBondContact O-N 3.26Å; Q85-H87 VanDerWaalsContact O-N 3.07Å; Q85-K88 HydrophobicContact CB-CD 4.37Å; Q85-K88 WeakPolarHBondContact O-CB 3.35Å; Q85-K88 PolarHBondContact O-N 3.29Å |
| 86 | K | 90.9 | Very high | 93.6 | Very high | 90 Ų | 90 | 62.9 Ų | 62.9 | 39% | 0.391 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -55.8 | -27.6 | -177.8 | -172.7 | 169.3 | 179.8 | 171.5 | 0 | 113.8 | E83 E84 K88 L89 | E83-K86 WeakPolarHBondContact O-CB 3.24Å; E83-K86 PolarHBondContact O-N 3.48Å; E84-K86 VanDerWaalsContact C-N 3.33Å; K86-K88 PolarHBondContact O-N 2.99Å; K86-L89 WeakPolarHBondContact O-CB 3.48Å; K86-L89 PolarHBondContact O-N 2.78Å |
| 87 | H | 89.6 | Confident | 93.5 | Very high | 144 Ų | 144 | 63.4 Ų | 63.4 | 67% | 0.667 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -60.7 | -21.6 | 173.7 | 63.5 | -86.7 | 0 | 0 | 0 | 113.9 | E84 Q85 L89 | E84-H87 PolarHBondContact O-ND1 3.08Å; Q85-H87 PolarHBondContact O-N 3.26Å; Q85-H87 VanDerWaalsContact O-N 3.07Å; H87-L89 VanDerWaalsContact C-N 3.31Å |
| 88 | K | 91.9 | Very high | 93.5 | Very high | 84 Ų | 84 | 65.3 Ų | 65.3 | 37% | 0.365 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -85.8 | -1 | 176.1 | -56 | -175.7 | -176.5 | 169 | 0 | 113.1 | Q85 K86 E90 D91 N92 | Q85-K88 HydrophobicContact CB-CD 4.37Å; Q85-K88 WeakPolarHBondContact O-CB 3.35Å; Q85-K88 PolarHBondContact O-N 3.29Å; K86-K88 PolarHBondContact O-N 2.99Å; K88-E90 VanDerWaalsContact C-N 3.33Å; K88-E90 PolarHBondContact O-N 3.05Å; K88-D91 PolarHBondContact O-N 2.95Å; K88-N92 PolarHBondContact O-ND2 3.24Å |
| 89 | L | 94 | Very high | 93.4 | Very high | 5 Ų | 5 | 68.2 Ų | 68.2 | 3% | 0.026 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57.3 | -45.4 | -172.1 | 176.8 | 57.9 | 0 | 0 | 0 | 112.1 | M78 L82 K86 H87 D91 N92 L93 I381 | M78-L89 HydrophobicContact CB-CD1 3.88Å; M78-L89 HydrophobicContact CG-CD1 3.71Å; M78-L89 HydrophobicContact SD-CD1 3.76Å; L82-L89 HydrophobicContact CD1-CB 3.97Å; L82-L89 HydrophobicContact CD1-CD1 4.1Å; K86-L89 WeakPolarHBondContact O-CB 3.48Å; K86-L89 PolarHBondContact O-N 2.78Å; H87-L89 VanDerWaalsContact C-N 3.31Å; L89-D91 VanDerWaalsContact C-N 3.28Å; L89-D91 PolarHBondContact O-N 3.05Å; L89-N92 WeakPolarHBondContact O-CA 3.46Å; L89-N92 WeakPolarHBondContact O-CB 3.28Å; L89-N92 PolarHBondContact O-N 3.2Å; L89-L93 HydrophobicContact CD1-CD2 4.01Å; L89-L93 HydrophobicContact CD1-CG 4.14Å; L89-L93 HydrophobicContact CG-CD1 4.31Å; L89-L93 HydrophobicContact CG-CG 4.28Å; L89-L93 WeakPolarHBondContact O-CG 3.15Å; L89-L93 PolarHBondContact O-N 2.83Å; L89-L93 VanDerWaalsContact O-N 3.12Å; L89-I381 HydrophobicContact CD2-CD1 3.32Å; L89-I381 HydrophobicContact CD2-CG1 3.68Å; L89-I381 HydrophobicContact CG-CD1 3.82Å |
| 90 | E | 91.5 | Very high | 93.4 | Very high | 151 Ų | 151 | 69.1 Ų | 69.1 | 71% | 0.706 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -56.8 | -40.4 | -179 | -64.3 | -172.6 | 169.2 | 0 | 0 | 112.4 | K88 N92 L93 | K88-E90 VanDerWaalsContact C-N 3.33Å; K88-E90 PolarHBondContact O-N 3.05Å; E90-N92 PolarHBondContact O-N 2.88Å; E90-L93 PolarHBondContact O-N 2.66Å |
| 91 | D | 92.4 | Very high | 93.4 | Very high | 128 Ų | 128 | 67 Ų | 67 | 68% | 0.684 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -65.3 | -21.3 | 176.9 | -61.7 | -30.9 | 0 | 0 | 0 | 113.1 | K88 L89 | K88-D91 PolarHBondContact O-N 2.95Å; L89-D91 VanDerWaalsContact C-N 3.28Å; L89-D91 PolarHBondContact O-N 3.05Å |
| 92 | N | 95.1 | Very high | 93.4 | Very high | 24 Ų | 24 | 68 Ų | 68 | 13% | 0.128 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -96.1 | -17.9 | -178.5 | -66.9 | -73.4 | 0 | 0 | 0 | 112.8 | M78 K88 L89 E90 T94 F282 K286 | M78-N92 HydrophobicContact SD-CB 3.82Å; K88-N92 PolarHBondContact O-ND2 3.24Å; L89-N92 WeakPolarHBondContact O-CA 3.46Å; L89-N92 WeakPolarHBondContact O-CB 3.28Å; L89-N92 PolarHBondContact O-N 3.2Å; E90-N92 PolarHBondContact O-N 2.88Å; N92-T94 VanDerWaalsContact C-N 3.29Å; N92-T94 PolarHBondContact O-N 2.85Å; N92-F282 HydrophobicContact CB-CZ 4.1Å; N92-K286 VanDerWaalsContact CG-CE 3.5Å; N92-K286 WeakPolarHBondContact OD1-CE 3.34Å; N92-K286 PolarHBondContact OD1-NZ 2.82Å |
| 93 | L | 96.1 | Very high | 93.5 | Very high | 11 Ų | 11 | 68.2 Ų | 68.2 | 6% | 0.058 | 37% | 0.365 | C | S | . | . | trans | -77.7 | 76.9 | 175.2 | -65 | -174.3 | 0 | 0 | 0 | 110.3 | A75 M78 L89 E90 P100 F289 M380 I381 | A75-L93 HydrophobicContact CB-CD1 4.17Å; A75-L93 HydrophobicContact CB-CD2 3.78Å; M78-L93 HydrophobicContact CE-CD2 4.12Å; M78-L93 HydrophobicContact SD-CD2 3.92Å; L89-L93 HydrophobicContact CD1-CD2 4.01Å; L89-L93 HydrophobicContact CD1-CG 4.14Å; L89-L93 HydrophobicContact CG-CD1 4.31Å; L89-L93 HydrophobicContact CG-CG 4.28Å; L89-L93 WeakPolarHBondContact O-CG 3.15Å; L89-L93 PolarHBondContact O-N 2.83Å; L89-L93 VanDerWaalsContact O-N 3.12Å; E90-L93 PolarHBondContact O-N 2.66Å; L93-P100 VanDerWaalsContact O-CD 3.3Å; L93-P100 WeakPolarHBondContact O-CD 3.37Å; L93-F289 VanDerWaalsContact C-CE1 3.42Å; L93-F289 HydrophobicContact CB-CD1 4.16Å; L93-F289 HydrophobicContact CB-CE1 3.61Å; L93-F289 HydrophobicContact CB-CE2 4.47Å; L93-F289 HydrophobicContact CB-CZ 3.78Å; L93-F289 HydrophobicContact CD1-CZ 4.4Å; L93-F289 HydrophobicContact CD2-CD1 4.05Å; L93-F289 HydrophobicContact CD2-CD2 3.76Å; L93-F289 HydrophobicContact CD2-CE1 4.11Å; L93-F289 HydrophobicContact CD2-CE2 3.81Å; L93-F289 HydrophobicContact CD2-CG 3.87Å; L93-F289 HydrophobicContact CD2-CZ 3.99Å; L93-F289 HydrophobicContact CG-CE1 4.39Å; L93-F289 HydrophobicContact CG-CE2 4.48Å; L93-F289 HydrophobicContact CG-CZ 4.26Å; L93-M380 HydrophobicContact CD1-CB 4.2Å; L93-I381 HydrophobicContact CD1-CD1 3.95Å; L93-I381 HydrophobicContact CD1-CG1 4.31Å | ||
| 94 | T | 96.4 | Very high | 93.8 | Very high | 49 Ų | 49 | 64.7 Ų | 64.7 | 30% | 0.301 | 35% | 0.349 | S | S | . | . | trans | -118.2 | 151.4 | -177.7 | 60.2 | 0 | 0 | 0 | 0 | 112.6 | N92 L98 G290 | N92-T94 VanDerWaalsContact C-N 3.29Å; N92-T94 PolarHBondContact O-N 2.85Å; T94-L98 CarbonylContact C-O 3.52Å; T94-L98 VanDerWaalsContact CA-O 3.28Å; T94-L98 WeakPolarHBondContact CA-O 3.33Å; T94-G290 WeakPolarHBondContact O-CA 3.48Å | ||
| 95 | V | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | B | Isolated β-bridge | trans | -128.2 | 111 | -178.9 | -169.2 | 0 | 0 | 0 | 0 | 107.4 | G97 L98 F103 F289 F293 | V95-G97 PolarHBondContact O-N 2.91Å; V95-G97 VanDerWaalsContact O-N 3.16Å; V95-L98 PolarHBondContact N-O 2.88Å; V95-L98 WeakPolarHBondContact O-CB 3.37Å; V95-L98 PolarHBondContact O-N 3.45Å; V95-F103 HydrophobicContact CB-CB 4.03Å; V95-F103 HydrophobicContact CB-CD2 3.91Å; V95-F103 HydrophobicContact CB-CG 3.91Å; V95-F103 HydrophobicContact CG1-CB 4.33Å; V95-F103 HydrophobicContact CG1-CD1 4.06Å; V95-F103 HydrophobicContact CG1-CD2 3.4Å; V95-F103 HydrophobicContact CG1-CE1 4.19Å; V95-F103 HydrophobicContact CG1-CE2 3.56Å; V95-F103 HydrophobicContact CG1-CG 3.66Å; V95-F103 HydrophobicContact CG1-CZ 3.96Å; V95-F289 HydrophobicContact CG2-CE1 4.09Å; V95-F293 HydrophobicContact CB-CD1 4.38Å; V95-F293 HydrophobicContact CG1-CD1 4.19Å; V95-F293 HydrophobicContact CG2-CB 3.9Å; V95-F293 HydrophobicContact CG2-CD1 3.53Å; V95-F293 HydrophobicContact CG2-CE1 4.26Å; V95-F293 HydrophobicContact CG2-CG 3.82Å |
| 96 | N | 93.4 | Very high | 94.4 | Very high | 113 Ų | 113 | 59.5 Ų | 59.5 | 60% | 0.604 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 35.8 | -172.2 | -63.5 | -14.9 | 0 | 0 | 0 | 113.5 | L98 | N96-L98 VanDerWaalsContact C-N 3.28Å; N96-L98 PolarHBondContact O-N 3.4Å |
| 97 | G | 94.1 | Very high | 94.7 | Very high | 68 Ų | 68 | 55.4 Ų | 55.4 | 70% | 0.701 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.4 | 3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | V95 | V95-G97 PolarHBondContact O-N 2.91Å; V95-G97 VanDerWaalsContact O-N 3.16Å |
| 98 | L | 95.9 | Very high | 95 | Very high | 61 Ų | 61 | 55.5 Ų | 55.5 | 32% | 0.319 | 31% | 0.307 | S | S | . | . | B | Isolated β-bridge | trans | -102.9 | 156.7 | 175.3 | -59.7 | 176.9 | 0 | 0 | 0 | 110.9 | T94 V95 N96 A102 F103 | T94-L98 CarbonylContact C-O 3.52Å; T94-L98 VanDerWaalsContact CA-O 3.28Å; T94-L98 WeakPolarHBondContact CA-O 3.33Å; V95-L98 PolarHBondContact N-O 2.88Å; V95-L98 WeakPolarHBondContact O-CB 3.37Å; V95-L98 PolarHBondContact O-N 3.45Å; N96-L98 VanDerWaalsContact C-N 3.28Å; N96-L98 PolarHBondContact O-N 3.4Å; L98-A102 HydrophobicContact CB-CB 4.12Å; L98-F103 HydrophobicContact CB-CB 4.28Å |
| 99 | S | 94.6 | Very high | 95.3 | Very high | 61 Ų | 61 | 52 Ų | 52 | 43% | 0.427 | 29% | 0.292 | S | S | . | . | trans | -65.9 | 156.7 | 164.8 | 70.3 | 0 | 0 | 0 | 0 | 110.3 | A101 A102 F103 | S99-A101 PolarHBondContact O-N 2.89Å; S99-A102 PolarHBondContact O-N 3.03Å; S99-A102 VanDerWaalsContact OG-CB 3.32Å; S99-A102 WeakPolarHBondContact OG-CB 3.49Å; S99-A102 PolarHBondContact OG-N 3.3Å; S99-F103 PolarHBondContact O-N 2.92Å | ||
| 100 | P | 95.6 | Very high | 95.4 | Very high | 21 Ų | 21 | 53.5 Ų | 53.5 | 14% | 0.136 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.1 | -38.2 | -179.7 | -28.5 | 37.7 | 0 | 0 | 0 | 113.2 | L93 L104 F289 F293 L378 | L93-P100 VanDerWaalsContact O-CD 3.3Å; L93-P100 WeakPolarHBondContact O-CD 3.37Å; P100-L104 WeakPolarHBondContact O-CB 3.13Å; P100-L104 PolarHBondContact O-N 3.36Å; P100-F289 HydrophobicContact CG-CE1 4.2Å; P100-F289 HydrophobicContact CG-CZ 4.11Å; P100-F293 HydrophobicContact CB-CD2 4.3Å; P100-F293 HydrophobicContact CB-CE1 4.1Å; P100-F293 HydrophobicContact CB-CE2 3.72Å; P100-F293 HydrophobicContact CB-CZ 3.6Å; P100-L378 HydrophobicContact CB-CD2 4.28Å |
| 101 | A | 94.5 | Very high | 95.7 | Very high | 28 Ų | 28 | 52.6 Ų | 52.6 | 23% | 0.231 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.8 | -44.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | F4 S99 F103 L104 T105 L378 | F4-A101 HydrophobicContact CE2-CB 4Å; F4-A101 HydrophobicContact CZ-CB 4.18Å; S99-A101 PolarHBondContact O-N 2.89Å; A101-F103 VanDerWaalsContact C-N 3.34Å; A101-L104 PolarHBondContact O-N 3.03Å; A101-T105 VanDerWaalsContact O-CG2 3.31Å; A101-T105 WeakPolarHBondContact O-CG2 3.25Å; A101-T105 PolarHBondContact O-N 2.98Å; A101-T105 PolarHBondContact O-OG1 2.88Å; A101-L378 HydrophobicContact CB-CD1 3.59Å |
| 102 | A | 95.1 | Very high | 95.9 | Very high | 25 Ų | 25 | 50.8 Ų | 50.8 | 21% | 0.207 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.4 | -34.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | L98 S99 T105 K106 | L98-A102 HydrophobicContact CB-CB 4.12Å; S99-A102 PolarHBondContact O-N 3.03Å; S99-A102 VanDerWaalsContact OG-CB 3.32Å; S99-A102 WeakPolarHBondContact OG-CB 3.49Å; S99-A102 PolarHBondContact OG-N 3.3Å; A102-T105 WeakPolarHBondContact CA-OG1 2.95Å; A102-T105 PolarHBondContact O-OG1 3.34Å; A102-T105 VanDerWaalsContact O-OG1 3.04Å; A102-K106 WeakPolarHBondContact O-CB 3.11Å; A102-K106 WeakPolarHBondContact O-CG 3.16Å; A102-K106 PolarHBondContact O-N 3.4Å |
| 103 | F | 96.3 | Very high | 95.9 | Very high | 15 Ų | 15 | 53 Ų | 53 | 7% | 0.066 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.7 | -48.6 | 172.5 | 177 | -89.1 | 0 | 0 | 0 | 111 | V95 L98 S99 A101 T105 K106 F107 F293 V297 | V95-F103 HydrophobicContact CB-CB 4.03Å; V95-F103 HydrophobicContact CB-CD2 3.91Å; V95-F103 HydrophobicContact CB-CG 3.91Å; V95-F103 HydrophobicContact CG1-CB 4.33Å; V95-F103 HydrophobicContact CG1-CD1 4.06Å; V95-F103 HydrophobicContact CG1-CD2 3.4Å; V95-F103 HydrophobicContact CG1-CE1 4.19Å; V95-F103 HydrophobicContact CG1-CE2 3.56Å; V95-F103 HydrophobicContact CG1-CG 3.66Å; V95-F103 HydrophobicContact CG1-CZ 3.96Å; L98-F103 HydrophobicContact CB-CB 4.28Å; S99-F103 PolarHBondContact O-N 2.92Å; A101-F103 VanDerWaalsContact C-N 3.34Å; F103-T105 PolarHBondContact O-N 3.34Å; F103-K106 CarbonylContact O-C 3.53Å; F103-K106 VanDerWaalsContact O-C 3.32Å; F103-K106 PolarHBondContact O-N 3.43Å; F103-F107 HydrophobicContact CE1-CD2 4.05Å; F103-F107 HydrophobicContact CZ-CD2 4.28Å; F103-F107 WeakPolarHBondContact O-CA 3.36Å; F103-F107 PolarHBondContact O-N 3.03Å; F103-F293 HydrophobicContact CD1-CD1 4.02Å; F103-F293 AromaticContact CD1-CE1 3.73Å; F103-F293 HydrophobicContact CD1-CE1 3.73Å; F103-F293 HydrophobicContact CE1-CD1 4.34Å; F103-F293 HydrophobicContact CE1-CE1 4.33Å; F103-V297 HydrophobicContact CD1-CG2 4.39Å; F103-V297 HydrophobicContact CE1-CB 4.13Å; F103-V297 HydrophobicContact CE1-CG1 4.39Å; F103-V297 HydrophobicContact CE1-CG2 4.07Å |
| 104 | L | 96.2 | Very high | 95.9 | Very high | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.7 | -43.2 | -178 | -174.7 | 62.4 | 0 | 0 | 0 | 112.3 | F4 F39 P100 A101 K106 F107 V297 L322 V376 L378 | F4-L104 HydrophobicContact CB-CD2 3.6Å; F4-L104 HydrophobicContact CD1-CD2 4.22Å; F4-L104 HydrophobicContact CD2-CD2 3.7Å; F4-L104 HydrophobicContact CE2-CD2 4.41Å; F4-L104 HydrophobicContact CG-CD2 3.58Å; F39-L104 HydrophobicContact CE2-CD1 4.09Å; P100-L104 WeakPolarHBondContact O-CB 3.13Å; P100-L104 PolarHBondContact O-N 3.36Å; A101-L104 PolarHBondContact O-N 3.03Å; L104-K106 VanDerWaalsContact C-N 3.26Å; L104-K106 PolarHBondContact O-N 3.19Å; L104-F107 WeakPolarHBondContact O-CB 3.28Å; L104-F107 PolarHBondContact O-N 3.41Å; L104-V297 HydrophobicContact CD1-CG1 3.71Å; L104-V297 HydrophobicContact CD1-CG2 3.97Å; L104-L322 HydrophobicContact CD1-CD1 4.2Å; L104-L322 HydrophobicContact CD2-CD1 3.96Å; L104-L322 HydrophobicContact CD2-CD2 4.48Å; L104-L322 HydrophobicContact CG-CD1 3.84Å; L104-L322 HydrophobicContact CG-CD2 3.9Å; L104-V376 HydrophobicContact CD2-CB 3.97Å; L104-V376 HydrophobicContact CD2-CG1 3.83Å; L104-V376 HydrophobicContact CD2-CG2 4.26Å; L104-L378 HydrophobicContact CD2-CD2 4.34Å |
| 105 | T | 95.9 | Very high | 95.9 | Very high | 26 Ų | 26 | 52.2 Ų | 52.2 | 16% | 0.16 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.7 | -25.6 | 177.5 | 50.7 | 0 | 0 | 0 | 0 | 113.6 | F4 Q35 A101 A102 F103 L322 | F4-T105 HydrophobicContact CE1-CG2 3.7Å; F4-T105 HydrophobicContact CZ-CG2 3.98Å; Q35-T105 VanDerWaalsContact OE1-CG2 3.29Å; A101-T105 VanDerWaalsContact O-CG2 3.31Å; A101-T105 WeakPolarHBondContact O-CG2 3.25Å; A101-T105 PolarHBondContact O-N 2.98Å; A101-T105 PolarHBondContact O-OG1 2.88Å; A102-T105 WeakPolarHBondContact CA-OG1 2.95Å; A102-T105 PolarHBondContact O-OG1 3.34Å; A102-T105 VanDerWaalsContact O-OG1 3.04Å; F103-T105 PolarHBondContact O-N 3.34Å; T105-L322 HydrophobicContact CG2-CD2 3.96Å |
| 106 | K | 95.9 | Very high | 95.8 | Very high | 143 Ų | 143 | 52.9 Ų | 52.9 | 62% | 0.622 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.7 | 19.7 | 177.4 | -61.9 | -178.4 | -179.8 | 179.7 | 0 | 112.7 | A102 F103 L104 Q108 | A102-K106 WeakPolarHBondContact O-CB 3.11Å; A102-K106 WeakPolarHBondContact O-CG 3.16Å; A102-K106 PolarHBondContact O-N 3.4Å; F103-K106 CarbonylContact O-C 3.53Å; F103-K106 VanDerWaalsContact O-C 3.32Å; F103-K106 PolarHBondContact O-N 3.43Å; L104-K106 VanDerWaalsContact C-N 3.26Å; L104-K106 PolarHBondContact O-N 3.19Å; K106-Q108 PolarHBondContact O-N 3.27Å |
| 107 | F | 97.4 | Very high | 95.8 | Very high | 4 Ų | 4 | 55.8 Ų | 55.8 | 2% | 0.018 | 31% | 0.31 | C | S | . | . | trans | -54.7 | 130.8 | -174.3 | 173.6 | -102.2 | 0 | 0 | 0 | 111.2 | F39 F103 L104 W109 V297 H298 A301 | F39-F107 HydrophobicContact CD2-CB 4.24Å; F39-F107 AromaticContact CD2-CD1 3.96Å; F39-F107 HydrophobicContact CD2-CD1 3.96Å; F39-F107 HydrophobicContact CD2-CG 4.39Å; F39-F107 HydrophobicContact CE1-CD1 4.17Å; F39-F107 HydrophobicContact CE1-CE1 4.14Å; F39-F107 HydrophobicContact CE2-CB 3.81Å; F39-F107 AromaticContact CE2-CD1 3.37Å; F39-F107 HydrophobicContact CE2-CD1 3.37Å; F39-F107 HydrophobicContact CE2-CE1 4.07Å; F39-F107 AromaticContact CE2-CG 3.65Å; F39-F107 HydrophobicContact CE2-CG 3.65Å; F39-F107 AromaticContact CZ-CD1 3.49Å; F39-F107 HydrophobicContact CZ-CD1 3.49Å; F39-F107 VanDerWaalsContact CZ-CD1 3.49Å; F39-F107 AromaticContact CZ-CE1 3.68Å; F39-F107 HydrophobicContact CZ-CE1 3.68Å; F39-F107 HydrophobicContact CZ-CG 4.06Å; F39-F107 HydrophobicContact CZ-CZ 4.37Å; F103-F107 HydrophobicContact CE1-CD2 4.05Å; F103-F107 HydrophobicContact CZ-CD2 4.28Å; F103-F107 WeakPolarHBondContact O-CA 3.36Å; F103-F107 PolarHBondContact O-N 3.03Å; L104-F107 WeakPolarHBondContact O-CB 3.28Å; L104-F107 PolarHBondContact O-N 3.41Å; F107-W109 HydrophobicContact CZ-CE3 4.11Å; F107-V297 HydrophobicContact CB-CG1 4.46Å; F107-V297 HydrophobicContact CD1-CG1 4.5Å; F107-V297 HydrophobicContact CD2-CB 4.27Å; F107-V297 HydrophobicContact CD2-CG1 3.36Å; F107-V297 HydrophobicContact CE2-CB 4.25Å; F107-V297 HydrophobicContact CE2-CG1 3.59Å; F107-V297 HydrophobicContact CG-CG1 3.85Å; F107-V297 HydrophobicContact CZ-CG1 4.26Å; F107-H298 AromaticContact CE2-CE1 3.63Å; F107-H298 AromaticContact CE2-ND1 3.77Å; F107-H298 AromaticContact CE2-NE2 3.87Å; F107-A301 HydrophobicContact CE1-CB 4.05Å; F107-A301 HydrophobicContact CZ-CB 4.12Å | ||
| 108 | Q | 96.6 | Very high | 95.9 | Very high | 147 Ų | 147 | 55.3 Ų | 55.3 | 69% | 0.687 | 29% | 0.29 | S | S | * | . | trans | -131.2 | 141.6 | 168.2 | -65.6 | -173.5 | 10.1 | 0 | 0 | 107.7 | K106 D110 | K106-Q108 PolarHBondContact O-N 3.27Å; Q108-D110 PolarHBondContact O-N 3.13Å | ||
| 109 | W | 97.7 | Very high | 95.9 | Very high | 9 Ų | 9 | 55.9 Ų | 55.9 | 3% | 0.034 | 30% | 0.296 | C | S | . | . | trans | -62.1 | 129 | 174.9 | -171.9 | -94.6 | 0 | 0 | 0 | 110.8 | P42 F45 F107 Y111 Y114 L123 H298 A301 L302 | P42-W109 HydrophobicContact CG-CB 3.6Å; P42-W109 HydrophobicContact CG-CD2 3.76Å; P42-W109 HydrophobicContact CG-CE3 4.35Å; P42-W109 HydrophobicContact CG-CG 3.37Å; F45-W109 AromaticContact CE1-CE2 3.9Å; F45-W109 HydrophobicContact CE1-CH2 4.13Å; F45-W109 AromaticContact CE1-CZ2 3.66Å; F45-W109 HydrophobicContact CE1-CZ2 3.66Å; F45-W109 AromaticContact CZ-CD2 3.89Å; F45-W109 HydrophobicContact CZ-CD2 3.89Å; F45-W109 AromaticContact CZ-CE2 3.63Å; F45-W109 AromaticContact CZ-CE3 3.93Å; F45-W109 HydrophobicContact CZ-CE3 3.93Å; F45-W109 AromaticContact CZ-CH2 3.57Å; F45-W109 HydrophobicContact CZ-CH2 3.57Å; F45-W109 AromaticContact CZ-CZ2 3.47Å; F45-W109 HydrophobicContact CZ-CZ2 3.47Å; F45-W109 VanDerWaalsContact CZ-CZ2 3.47Å; F45-W109 AromaticContact CZ-CZ3 3.78Å; F45-W109 HydrophobicContact CZ-CZ3 3.78Å; F107-W109 HydrophobicContact CZ-CE3 4.11Å; W109-Y111 HydrophobicContact CB-CE2 4.12Å; W109-Y111 AromaticContact CD1-CD1 3.93Å; W109-Y111 WeakPolarHBondContact O-CD2 3.34Å; W109-Y111 WeakPolarHBondContact O-CE2 3.42Å; W109-Y111 PolarHBondContact O-N 2.84Å; W109-Y111 VanDerWaalsContact O-N 3.07Å; W109-Y114 VanDerWaalsContact CZ2-CB 3.43Å; W109-Y114 HydrophobicContact CZ2-CD2 4.4Å; W109-Y114 HydrophobicContact CZ2-CG 4.22Å; W109-Y114 PolarHBondContact NE1-O 3.31Å; W109-L123 HydrophobicContact CZ2-CD1 4.1Å; W109-H298 AromaticContact CD2-CD2 3.77Å; W109-H298 AromaticContact CE3-CD2 3.46Å; W109-H298 VanDerWaalsContact CE3-CD2 3.46Å; W109-H298 HydrophobicContact CH2-CB 4.31Å; W109-H298 AromaticContact CH2-CD2 3.93Å; W109-H298 HydrophobicContact CZ3-CB 4.02Å; W109-H298 AromaticContact CZ3-CD2 3.54Å; W109-A301 HydrophobicContact CE3-CB 4.22Å; W109-A301 HydrophobicContact CZ3-CB 3.94Å; W109-L302 HydrophobicContact CH2-CD1 4.3Å; W109-L302 HydrophobicContact CH2-CD2 3.73Å; W109-L302 HydrophobicContact CH2-CG 3.82Å; W109-L302 HydrophobicContact CZ3-CD2 4.33Å; W109-L302 HydrophobicContact CZ3-CG 4.25Å | ||
| 110 | D | 97.2 | Very high | 96.1 | Very high | 38 Ų | 38 | 53.3 Ų | 53.3 | 20% | 0.203 | 28% | 0.277 | C | S | . | . | trans | -79.6 | 88.6 | 175.8 | -169.7 | -27.2 | 0 | 0 | 0 | 109.9 | Q108 A112 K113 Y114 H298 | Q108-D110 PolarHBondContact O-N 3.13Å; D110-A112 PolarHBondContact O-N 3.02Å; D110-A112 WeakPolarHBondContact OD1-CB 3.5Å; D110-A112 PolarHBondContact OD1-N 3.26Å; D110-A112 VanDerWaalsContact OD1-N 3.12Å; D110-K113 HydrophobicContact CB-CB 4.27Å; D110-K113 PolarHBondContact O-N 2.93Å; D110-K113 PolarHBondContact OD1-N 2.89Å; D110-K113 WeakPolarHBondContact OD2-CD 3.38Å; D110-K113 WeakPolarHBondContact OD2-CE 3.42Å; D110-K113 WeakPolarHBondContact OD2-CG 3.28Å; D110-K113 IonicContact OD2-NZ 2.93Å; D110-Y114 HydrophobicContact CB-CD2 4.12Å; D110-Y114 HydrophobicContact CB-CE2 4.41Å; D110-Y114 PolarHBondContact O-N 2.82Å; D110-H298 PolarHBondContact N-NE2 3.19Å | ||
| 111 | Y | 96.4 | Very high | 96.1 | Very high | 131 Ų | 131 | 54.7 Ų | 54.7 | 51% | 0.514 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -21.8 | 179.9 | -65.7 | -88.7 | 0 | 0 | 0 | 113.8 | P42 W109 V116 | P42-Y111 HydrophobicContact CG-CE1 4.3Å; W109-Y111 HydrophobicContact CB-CE2 4.12Å; W109-Y111 AromaticContact CD1-CD1 3.93Å; W109-Y111 WeakPolarHBondContact O-CD2 3.34Å; W109-Y111 WeakPolarHBondContact O-CE2 3.42Å; W109-Y111 PolarHBondContact O-N 2.84Å; W109-Y111 VanDerWaalsContact O-N 3.07Å; Y111-V116 HydrophobicContact CD1-CG1 3.89Å; Y111-V116 HydrophobicContact CD1-CG2 4.23Å; Y111-V116 HydrophobicContact CE1-CG1 3.74Å; Y111-V116 HydrophobicContact CE1-CG2 4.26Å |
| 112 | A | 96.2 | Very high | 96.2 | Very high | 91 Ų | 91 | 55.3 Ų | 55.3 | 75% | 0.752 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -43.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111 | D110 | D110-A112 PolarHBondContact O-N 3.02Å; D110-A112 WeakPolarHBondContact OD1-CB 3.5Å; D110-A112 PolarHBondContact OD1-N 3.26Å; D110-A112 VanDerWaalsContact OD1-N 3.12Å |
| 113 | K | 95.7 | Very high | 96.4 | Very high | 70 Ų | 70 | 54.1 Ų | 54.1 | 30% | 0.304 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -37.3 | 176.5 | -68.1 | -175.1 | -173.6 | 172.6 | 0 | 112.9 | D110 P115 E291 | D110-K113 HydrophobicContact CB-CB 4.27Å; D110-K113 PolarHBondContact O-N 2.93Å; D110-K113 PolarHBondContact OD1-N 2.89Å; D110-K113 WeakPolarHBondContact OD2-CD 3.38Å; D110-K113 WeakPolarHBondContact OD2-CE 3.42Å; D110-K113 WeakPolarHBondContact OD2-CG 3.28Å; D110-K113 IonicContact OD2-NZ 2.93Å; K113-P115 WeakPolarHBondContact O-CD 3.24Å; K113-E291 IonicContact NZ-OE1 3.8Å; K113-E291 PolarHBondContact NZ-OE1 3.14Å; K113-E291 IonicContact NZ-OE2 2.74Å; K113-E291 PolarHBondContact NZ-OE2 2.95Å |
| 114 | Y | 96.7 | Very high | 96.5 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 0% | 0.004 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -127.1 | 74.4 | -172.6 | -47.5 | -56.9 | 0 | 0 | 0 | 111.6 | W109 D110 V116 I126 I127 Q130 H298 | W109-Y114 VanDerWaalsContact CZ2-CB 3.43Å; W109-Y114 HydrophobicContact CZ2-CD2 4.4Å; W109-Y114 HydrophobicContact CZ2-CG 4.22Å; W109-Y114 PolarHBondContact NE1-O 3.31Å; D110-Y114 HydrophobicContact CB-CD2 4.12Å; D110-Y114 HydrophobicContact CB-CE2 4.41Å; D110-Y114 PolarHBondContact O-N 2.82Å; Y114-V116 PolarHBondContact O-N 2.92Å; Y114-I126 HydrophobicContact CD1-CG2 4.03Å; Y114-I126 HydrophobicContact CE1-CG2 4.05Å; Y114-I127 HydrophobicContact CD1-CD1 4.32Å; Y114-I127 HydrophobicContact CD1-CG1 3.79Å; Y114-I127 HydrophobicContact CE1-CD1 4.2Å; Y114-I127 HydrophobicContact CE1-CG1 3.34Å; Y114-Q130 PolarHBondContact OH-OE1 3.44Å; Y114-H298 HydrophobicContact CD2-CB 4.38Å; Y114-H298 AromaticContact CD2-CD2 3.23Å; Y114-H298 WeakPolarHBondContact CD2-CD2 3.34Å; Y114-H298 AromaticContact CD2-CG 3.76Å; Y114-H298 AromaticContact CD2-NE2 3.56Å; Y114-H298 HydrophobicContact CE2-CB 4.05Å; Y114-H298 AromaticContact CE2-CD2 3.44Å; Y114-H298 VanDerWaalsContact CE2-CD2 3.44Å; Y114-H298 WeakPolarHBondContact CE2-CD2 3.15Å; Y114-H298 AromaticContact CE2-CE1 3.81Å; Y114-H298 AromaticContact CE2-CG 3.48Å; Y114-H298 VanDerWaalsContact CE2-CG 3.48Å; Y114-H298 AromaticContact CE2-ND1 3.72Å; Y114-H298 AromaticContact CE2-NE2 3.67Å |
| 115 | P | 96.2 | Very high | 96.6 | Very high | 43 Ų | 43 | 58 Ų | 58 | 28% | 0.279 | 31% | 0.305 | S | S | . | . | trans | -61.4 | 120.8 | -177.2 | -22.2 | 30.8 | 0 | 0 | 0 | 113.2 | K113 K117 Q118 | K113-P115 WeakPolarHBondContact O-CD 3.24Å; P115-K117 PolarHBondContact O-N 3.32Å; P115-Q118 HydrophobicContact CB-CG 4.37Å; P115-Q118 WeakPolarHBondContact O-CB 3.41Å; P115-Q118 PolarHBondContact O-N 2.99Å | ||
| 116 | V | 94.8 | Very high | 96.7 | Very high | 14 Ų | 14 | 59.2 Ų | 59.2 | 9% | 0.085 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -16.1 | 179.3 | -60.5 | 0 | 0 | 0 | 0 | 114.5 | P42 D44 F45 Y111 Y114 Q118 | P42-V116 HydrophobicContact CB-CG1 3.64Å; P42-V116 HydrophobicContact CG-CG1 3.75Å; D44-V116 WeakPolarHBondContact OD2-CG2 3.4Å; F45-V116 HydrophobicContact CD1-CB 4.19Å; F45-V116 HydrophobicContact CD1-CG1 4.11Å; F45-V116 HydrophobicContact CE1-CB 4.28Å; F45-V116 HydrophobicContact CE1-CG1 3.74Å; F45-V116 HydrophobicContact CZ-CG1 4.42Å; Y111-V116 HydrophobicContact CD1-CG1 3.89Å; Y111-V116 HydrophobicContact CD1-CG2 4.23Å; Y111-V116 HydrophobicContact CE1-CG1 3.74Å; Y111-V116 HydrophobicContact CE1-CG2 4.26Å; Y114-V116 PolarHBondContact O-N 2.92Å; V116-Q118 PolarHBondContact O-N 2.71Å |
| 117 | K | 93.9 | Very high | 96.8 | Very high | 173 Ų | 173 | 52.4 Ų | 52.4 | 75% | 0.752 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -17.4 | 173.2 | -67 | -175.3 | 179.1 | 179.8 | 0 | 113.4 | K46 P115 | K46-K117 WeakPolarHBondContact CD-O 3.44Å; K46-K117 WeakPolarHBondContact CE-O 3.4Å; K46-K117 PolarHBondContact NZ-O 3.4Å; P115-K117 PolarHBondContact O-N 3.32Å |
| 118 | Q | 94.9 | Very high | 96.8 | Very high | 59 Ų | 59 | 53.6 Ų | 53.6 | 28% | 0.276 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -79.2 | 165.1 | 175.1 | -60.4 | -167.7 | 53.8 | 0 | 0 | 111.2 | P115 V116 S122 L123 | P115-Q118 HydrophobicContact CB-CG 4.37Å; P115-Q118 WeakPolarHBondContact O-CB 3.41Å; P115-Q118 PolarHBondContact O-N 2.99Å; V116-Q118 PolarHBondContact O-N 2.71Å; Q118-S122 PolarHBondContact OE1-OG 3.36Å; Q118-L123 HydrophobicContact CB-CD2 4.19Å; Q118-L123 HydrophobicContact CB-CG 4.4Å |
| 119 | T | 96.9 | Very high | 96.9 | Very high | 72 Ų | 72 | 53.5 Ų | 53.5 | 44% | 0.442 | 29% | 0.288 | S | S | . | . | B | Isolated β-bridge | trans | -75 | 156.1 | 172.5 | 59.9 | 0 | 0 | 0 | 0 | 110.5 | S121 S122 L123 | T119-S121 VanDerWaalsContact C-N 3.25Å; T119-S121 PolarHBondContact O-N 3.48Å; T119-S122 WeakPolarHBondContact O-CB 3.49Å; T119-S122 PolarHBondContact O-N 3.09Å; T119-S122 WeakPolarHBondContact OG1-CB 3.48Å; T119-S122 PolarHBondContact OG1-N 3.43Å; T119-L123 PolarHBondContact O-N 3.19Å |
| 120 | L | 97.5 | Very high | 96.9 | Very high | 7 Ų | 7 | 55 Ų | 55 | 4% | 0.037 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.6 | -38.9 | 175.6 | -65.1 | 171.6 | 0 | 0 | 0 | 112.3 | F45 L53 L56 S122 L123 Y124 L302 F305 V306 | F45-L120 HydrophobicContact CB-CD2 4.04Å; F45-L120 HydrophobicContact CD1-CD2 4.16Å; F45-L120 HydrophobicContact CD2-CD2 4.43Å; F45-L120 HydrophobicContact CG-CD2 3.99Å; L53-L120 HydrophobicContact CD2-CD1 3.77Å; L56-L120 HydrophobicContact CD1-CB 3.52Å; L56-L120 HydrophobicContact CD1-CD1 4.36Å; L120-S122 VanDerWaalsContact C-N 3.32Å; L120-S122 PolarHBondContact O-N 2.93Å; L120-L123 PolarHBondContact O-N 3.48Å; L120-Y124 WeakPolarHBondContact O-CB 3.45Å; L120-Y124 PolarHBondContact O-N 2.85Å; L120-L302 HydrophobicContact CD2-CD2 3.76Å; L120-F305 HydrophobicContact CD1-CD1 4.1Å; L120-F305 HydrophobicContact CD1-CE1 3.98Å; L120-F305 HydrophobicContact CD2-CD1 4.23Å; L120-F305 HydrophobicContact CD2-CE1 4.42Å; L120-V306 HydrophobicContact CD1-CG2 4.04Å |
| 121 | S | 96.6 | Very high | 97 | Very high | 50 Ų | 50 | 53.1 Ų | 53.1 | 35% | 0.35 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63 | -35.5 | 175.1 | -46.3 | 0 | 0 | 0 | 0 | 113.1 | T119 A125 | T119-S121 VanDerWaalsContact C-N 3.25Å; T119-S121 PolarHBondContact O-N 3.48Å; S121-A125 WeakPolarHBondContact O-CB 3.31Å; S121-A125 PolarHBondContact O-N 3.5Å |
| 122 | S | 97.2 | Very high | 97.1 | Very high | 41 Ų | 41 | 50 Ų | 50 | 29% | 0.287 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -69.1 | -42.3 | 175 | -164.5 | 0 | 0 | 0 | 0 | 111.3 | Q118 T119 L120 Y124 A125 I126 | Q118-S122 PolarHBondContact OE1-OG 3.36Å; T119-S122 WeakPolarHBondContact O-CB 3.49Å; T119-S122 PolarHBondContact O-N 3.09Å; T119-S122 WeakPolarHBondContact OG1-CB 3.48Å; T119-S122 PolarHBondContact OG1-N 3.43Å; L120-S122 VanDerWaalsContact C-N 3.32Å; L120-S122 PolarHBondContact O-N 2.93Å; S122-Y124 PolarHBondContact O-N 2.94Å; S122-A125 PolarHBondContact O-N 2.93Å; S122-I126 VanDerWaalsContact O-CG1 3.31Å; S122-I126 WeakPolarHBondContact O-CG1 3.31Å; S122-I126 PolarHBondContact O-N 3.42Å |
| 123 | L | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62 | -43.2 | 175.3 | -63.6 | 178.1 | 0 | 0 | 0 | 111.6 | F45 W109 Q118 T119 L120 A125 I126 I127 L302 | F45-L123 HydrophobicContact CD1-CD1 3.83Å; F45-L123 HydrophobicContact CE1-CD1 3.46Å; F45-L123 VanDerWaalsContact CE1-CD1 3.46Å; F45-L123 HydrophobicContact CZ-CD1 4.42Å; W109-L123 HydrophobicContact CZ2-CD1 4.1Å; Q118-L123 HydrophobicContact CB-CD2 4.19Å; Q118-L123 HydrophobicContact CB-CG 4.4Å; T119-L123 PolarHBondContact O-N 3.19Å; L120-L123 PolarHBondContact O-N 3.48Å; L123-A125 VanDerWaalsContact C-N 3.34Å; L123-A125 PolarHBondContact O-N 3.23Å; L123-I126 PolarHBondContact O-N 2.69Å; L123-I127 VanDerWaalsContact O-CG1 3.32Å; L123-I127 WeakPolarHBondContact O-CG1 3.37Å; L123-I127 PolarHBondContact O-N 2.64Å; L123-L302 HydrophobicContact CB-CD1 4.24Å; L123-L302 HydrophobicContact CD1-CD2 4.17Å |
| 124 | Y | 98 | Very high | 97.4 | Very high | 51 Ų | 51 | 49.1 Ų | 49.1 | 20% | 0.2 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -54.3 | -49.9 | 171.3 | 167.1 | -90.4 | 0 | 0 | 0 | 111.4 | E59 L60 L63 L120 S122 I126 I127 S128 | E59-Y124 HydrophobicContact CB-CD2 4.42Å; E59-Y124 HydrophobicContact CB-CE2 3.77Å; L60-Y124 HydrophobicContact CD2-CD2 3.93Å; L60-Y124 HydrophobicContact CG-CD2 4.36Å; L63-Y124 HydrophobicContact CB-CD2 4.36Å; L63-Y124 HydrophobicContact CB-CE2 3.71Å; L63-Y124 HydrophobicContact CD2-CD2 3.42Å; L63-Y124 VanDerWaalsContact CD2-CD2 3.42Å; L63-Y124 HydrophobicContact CD2-CE2 3.49Å; L63-Y124 VanDerWaalsContact CD2-CE2 3.49Å; L63-Y124 HydrophobicContact CD2-CG 4.3Å; L63-Y124 HydrophobicContact CG-CD2 4.49Å; L63-Y124 HydrophobicContact CG-CE2 4.13Å; L120-Y124 WeakPolarHBondContact O-CB 3.45Å; L120-Y124 PolarHBondContact O-N 2.85Å; S122-Y124 PolarHBondContact O-N 2.94Å; Y124-I126 PolarHBondContact O-N 2.73Å; Y124-I127 PolarHBondContact O-N 2.88Å; Y124-S128 WeakPolarHBondContact O-CB 3.38Å; Y124-S128 PolarHBondContact O-N 3.4Å |
| 125 | A | 98.1 | Very high | 97.4 | Very high | 49 Ų | 49 | 49.6 Ų | 49.6 | 41% | 0.405 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.9 | -45 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S121 S122 L123 I127 S128 E129 | S121-A125 WeakPolarHBondContact O-CB 3.31Å; S121-A125 PolarHBondContact O-N 3.5Å; S122-A125 PolarHBondContact O-N 2.93Å; L123-A125 VanDerWaalsContact C-N 3.34Å; L123-A125 PolarHBondContact O-N 3.23Å; A125-I127 PolarHBondContact O-N 3.28Å; A125-S128 PolarHBondContact O-N 2.84Å; A125-E129 WeakPolarHBondContact O-CB 3.4Å; A125-E129 PolarHBondContact O-N 2.86Å |
| 126 | I | 98 | Very high | 97.6 | Very high | 51 Ų | 51 | 50.3 Ų | 50.3 | 26% | 0.262 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.7 | -48.8 | 177.7 | -68.8 | 165.3 | 0 | 0 | 0 | 110.9 | Y114 S122 L123 Y124 Q130 | Y114-I126 HydrophobicContact CD1-CG2 4.03Å; Y114-I126 HydrophobicContact CE1-CG2 4.05Å; S122-I126 VanDerWaalsContact O-CG1 3.31Å; S122-I126 WeakPolarHBondContact O-CG1 3.31Å; S122-I126 PolarHBondContact O-N 3.42Å; L123-I126 PolarHBondContact O-N 2.69Å; Y124-I126 PolarHBondContact O-N 2.73Å; I126-Q130 WeakPolarHBondContact O-CB 3.36Å; I126-Q130 PolarHBondContact O-N 3.39Å |
| 127 | I | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68 | -41.4 | -178.4 | -61.8 | 165.2 | 0 | 0 | 0 | 110.8 | Y114 L123 Y124 A125 Q130 L131 A295 H298 I299 L302 | Y114-I127 HydrophobicContact CD1-CD1 4.32Å; Y114-I127 HydrophobicContact CD1-CG1 3.79Å; Y114-I127 HydrophobicContact CE1-CD1 4.2Å; Y114-I127 HydrophobicContact CE1-CG1 3.34Å; L123-I127 VanDerWaalsContact O-CG1 3.32Å; L123-I127 WeakPolarHBondContact O-CG1 3.37Å; L123-I127 PolarHBondContact O-N 2.64Å; Y124-I127 PolarHBondContact O-N 2.88Å; A125-I127 PolarHBondContact O-N 3.28Å; I127-Q130 PolarHBondContact O-N 3.07Å; I127-L131 HydrophobicContact CG2-CD1 3.99Å; I127-L131 HydrophobicContact CG2-CG 4.43Å; I127-L131 WeakPolarHBondContact O-CB 3.34Å; I127-L131 WeakPolarHBondContact O-CG 3.3Å; I127-L131 PolarHBondContact O-N 3.03Å; I127-A295 HydrophobicContact CG2-CB 3.87Å; I127-H298 HydrophobicContact CD1-CB 4.17Å; I127-I299 HydrophobicContact CD1-CG1 4.37Å; I127-I299 HydrophobicContact CG2-CD1 3.62Å; I127-I299 HydrophobicContact CG2-CG1 3.68Å; I127-L302 HydrophobicContact CD1-CD1 3.74Å |
| 128 | S | 98.5 | Very high | 98 | Very high | 28 Ų | 28 | 44.4 Ų | 44.4 | 20% | 0.196 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.4 | -43.4 | 177.9 | -174.6 | 0 | 0 | 0 | 0 | 112.2 | Y124 A125 L131 T132 | Y124-S128 WeakPolarHBondContact O-CB 3.38Å; Y124-S128 PolarHBondContact O-N 3.4Å; A125-S128 PolarHBondContact O-N 2.84Å; S128-L131 PolarHBondContact O-N 2.98Å; S128-T132 WeakPolarHBondContact O-CB 3.33Å; S128-T132 PolarHBondContact O-N 2.7Å; S128-T132 PolarHBondContact O-OG1 2.97Å |
| 129 | E | 98.4 | Very high | 98.1 | Very high | 145 Ų | 145 | 47.3 Ų | 47.3 | 68% | 0.678 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -64.5 | -44.7 | 175.9 | -174 | 177.7 | -174.3 | 0 | 0 | 111.5 | A125 L131 T132 K133 | A125-E129 WeakPolarHBondContact O-CB 3.4Å; A125-E129 PolarHBondContact O-N 2.86Å; E129-L131 PolarHBondContact O-N 3.07Å; E129-T132 PolarHBondContact O-N 2.84Å; E129-K133 PolarHBondContact O-N 3.36Å |
| 130 | Q | 98.2 | Very high | 98.2 | Very high | 40 Ų | 40 | 46.7 Ų | 46.7 | 19% | 0.187 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -55.9 | -49.6 | 175.3 | 175.9 | 178.1 | -5.3 | 0 | 0 | 111.5 | Y114 I126 I127 K133 V134 E291 | Y114-Q130 PolarHBondContact OH-OE1 3.44Å; I126-Q130 WeakPolarHBondContact O-CB 3.36Å; I126-Q130 PolarHBondContact O-N 3.39Å; I127-Q130 PolarHBondContact O-N 3.07Å; Q130-K133 PolarHBondContact O-N 3.44Å; Q130-V134 WeakPolarHBondContact O-CG2 3.2Å; Q130-V134 PolarHBondContact O-N 3.34Å; Q130-V134 VanDerWaalsContact O-N 3.09Å; Q130-E291 PolarHBondContact NE2-OE2 2.92Å |
| 131 | L | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.7 | -41.2 | 179.5 | -77 | 172 | 0 | 0 | 0 | 112.2 | L63 Y66 A67 I70 I127 S128 E129 K133 V134 D135 A292 A295 I299 | L63-L131 HydrophobicContact CD1-CD1 3.95Å; Y66-L131 HydrophobicContact CE1-CB 4.32Å; A67-L131 HydrophobicContact CB-CD1 3.49Å; A67-L131 VanDerWaalsContact CB-CD1 3.49Å; A67-L131 HydrophobicContact CB-CD2 4.27Å; I70-L131 HydrophobicContact CD1-CB 3.71Å; I70-L131 HydrophobicContact CD1-CD2 4.21Å; I70-L131 HydrophobicContact CD1-CG 4.47Å; I70-L131 WeakPolarHBondContact CD1-O 3.4Å; I70-L131 HydrophobicContact CG2-CD2 4.48Å; I127-L131 HydrophobicContact CG2-CD1 3.99Å; I127-L131 HydrophobicContact CG2-CG 4.43Å; I127-L131 WeakPolarHBondContact O-CB 3.34Å; I127-L131 WeakPolarHBondContact O-CG 3.3Å; I127-L131 PolarHBondContact O-N 3.03Å; S128-L131 PolarHBondContact O-N 2.98Å; E129-L131 PolarHBondContact O-N 3.07Å; L131-K133 VanDerWaalsContact C-N 3.33Å; L131-K133 PolarHBondContact O-N 3.31Å; L131-V134 PolarHBondContact O-N 2.67Å; L131-D135 PolarHBondContact O-N 2.86Å; L131-A292 HydrophobicContact CD2-CB 4.24Å; L131-A295 HydrophobicContact CD2-CB 4.04Å; L131-A295 HydrophobicContact CG-CB 4.2Å; L131-I299 HydrophobicContact CD1-CD1 3.61Å |
| 132 | T | 98.6 | Very high | 98.3 | Very high | 65 Ų | 65 | 48.9 Ų | 48.9 | 40% | 0.399 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 177 | -60.8 | 0 | 0 | 0 | 0 | 111.8 | S128 E129 D135 S136 | S128-T132 WeakPolarHBondContact O-CB 3.33Å; S128-T132 PolarHBondContact O-N 2.7Å; S128-T132 PolarHBondContact O-OG1 2.97Å; E129-T132 PolarHBondContact O-N 2.84Å; T132-D135 PolarHBondContact O-N 3.03Å; T132-S136 PolarHBondContact O-N 3.43Å; T132-S136 PolarHBondContact O-OG 3.02Å |
| 133 | K | 98.5 | Very high | 98.3 | Very high | 137 Ų | 137 | 53.5 Ų | 53.5 | 60% | 0.596 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -63.5 | -40.9 | 174.8 | -174.7 | 175.9 | -178.8 | 176.6 | 0 | 112.3 | E129 Q130 L131 S136 D137 | E129-K133 PolarHBondContact O-N 3.36Å; Q130-K133 PolarHBondContact O-N 3.44Å; L131-K133 VanDerWaalsContact C-N 3.33Å; L131-K133 PolarHBondContact O-N 3.31Å; K133-S136 WeakPolarHBondContact CA-OG 3.5Å; K133-S136 PolarHBondContact O-N 3.25Å; K133-S136 PolarHBondContact O-OG 2.82Å; K133-D137 VanDerWaalsContact O-CB 3.3Å; K133-D137 WeakPolarHBondContact O-CB 3.48Å; K133-D137 PolarHBondContact O-N 3.32Å |
| 134 | V | 98.6 | Very high | 98.2 | Very high | 5 Ų | 5 | 56.5 Ų | 56.5 | 3% | 0.03 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.5 | -44.9 | 174.9 | 174.6 | 0 | 0 | 0 | 0 | 111 | I70 V74 Q130 L131 L138 W284 N288 | I70-V134 HydrophobicContact CG2-CB 4.26Å; I70-V134 HydrophobicContact CG2-CG1 3.78Å; V74-V134 HydrophobicContact CG2-CG1 3.91Å; Q130-V134 WeakPolarHBondContact O-CG2 3.2Å; Q130-V134 PolarHBondContact O-N 3.34Å; Q130-V134 VanDerWaalsContact O-N 3.09Å; L131-V134 PolarHBondContact O-N 2.67Å; V134-L138 WeakPolarHBondContact O-CB 3.46Å; V134-L138 PolarHBondContact O-N 3.5Å; V134-W284 HydrophobicContact CG1-CH2 4.39Å; V134-N288 HydrophobicContact CG1-CB 4.1Å; V134-N288 HydrophobicContact CG2-CB 4.46Å |
| 135 | D | 98.5 | Very high | 98.2 | Very high | 11 Ų | 11 | 54.4 Ų | 54.4 | 6% | 0.059 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.8 | -43 | 179 | -172.2 | 72.6 | 0 | 0 | 0 | 112.1 | I70 K73 L131 T132 L138 K139 | I70-D135 HydrophobicContact CD1-CB 4.09Å; I70-D135 HydrophobicContact CG1-CB 4.06Å; K73-D135 IonicContact NZ-OD1 2.89Å; K73-D135 PolarHBondContact NZ-OD1 3.28Å; L131-D135 PolarHBondContact O-N 2.86Å; T132-D135 PolarHBondContact O-N 3.03Å; D135-L138 PolarHBondContact O-N 3.38Å; D135-K139 WeakPolarHBondContact O-CG 3.15Å; D135-K139 PolarHBondContact O-N 2.97Å; D135-K139 VanDerWaalsContact O-N 3.07Å; D135-K139 WeakPolarHBondContact OD2-CE 3.18Å; D135-K139 IonicContact OD2-NZ 3.11Å; D135-K139 PolarHBondContact OD2-NZ 3.49Å |
| 136 | S | 98.5 | Very high | 98.2 | Very high | 59 Ų | 59 | 55.8 Ų | 55.8 | 41% | 0.413 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.8 | -45.4 | 177.7 | 63.2 | 0 | 0 | 0 | 0 | 112.4 | T132 K133 K139 A140 | T132-S136 PolarHBondContact O-N 3.43Å; T132-S136 PolarHBondContact O-OG 3.02Å; K133-S136 WeakPolarHBondContact CA-OG 3.5Å; K133-S136 PolarHBondContact O-N 3.25Å; K133-S136 PolarHBondContact O-OG 2.82Å; S136-K139 PolarHBondContact O-N 3.45Å; S136-A140 PolarHBondContact O-N 3.09Å |
| 137 | D | 98.6 | Very high | 98.1 | Very high | 53 Ų | 53 | 57.3 Ų | 57.3 | 28% | 0.283 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.3 | -38.3 | 179.8 | -77 | -2.7 | 0 | 0 | 0 | 111.2 | K133 A140 K141 W284 | K133-D137 VanDerWaalsContact O-CB 3.3Å; K133-D137 WeakPolarHBondContact O-CB 3.48Å; K133-D137 PolarHBondContact O-N 3.32Å; D137-A140 PolarHBondContact O-N 2.92Å; D137-K141 VanDerWaalsContact O-CB 3.28Å; D137-K141 WeakPolarHBondContact O-CB 3.37Å; D137-K141 VanDerWaalsContact O-CG 3.24Å; D137-K141 WeakPolarHBondContact O-CG 3.43Å; D137-K141 PolarHBondContact O-N 3.28Å; D137-W284 HydrophobicContact CB-CH2 3.9Å; D137-W284 HydrophobicContact CB-CZ2 3.33Å |
| 138 | L | 98.6 | Very high | 97.9 | Very high | 10 Ų | 10 | 58.1 Ų | 58.1 | 5% | 0.052 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.2 | -47 | 174.7 | 177.2 | 64.8 | 0 | 0 | 0 | 110.8 | K73 V74 Y77 V134 D135 S142 W284 L285 | K73-L138 HydrophobicContact CB-CD2 3.84Å; V74-L138 HydrophobicContact CG2-CD2 3.92Å; Y77-L138 HydrophobicContact CD1-CD1 3.77Å; Y77-L138 HydrophobicContact CG-CD1 4.27Å; V134-L138 WeakPolarHBondContact O-CB 3.46Å; V134-L138 PolarHBondContact O-N 3.5Å; D135-L138 PolarHBondContact O-N 3.38Å; L138-S142 WeakPolarHBondContact O-CB 3.3Å; L138-S142 PolarHBondContact O-N 3.35Å; L138-S142 PolarHBondContact O-OG 2.97Å; L138-W284 HydrophobicContact CB-CH2 3.92Å; L138-W284 HydrophobicContact CB-CZ3 4.11Å; L138-W284 HydrophobicContact CD1-CZ3 4.05Å; L138-L285 HydrophobicContact CD1-CD2 3.62Å |
| 139 | K | 98.3 | Very high | 97.8 | Very high | 119 Ų | 119 | 59.9 Ų | 59.9 | 52% | 0.517 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.5 | -49.2 | 177.7 | -76.3 | 167.7 | 175.3 | 163 | 0 | 111.7 | D135 S136 S142 Q143 | D135-K139 WeakPolarHBondContact O-CG 3.15Å; D135-K139 PolarHBondContact O-N 2.97Å; D135-K139 VanDerWaalsContact O-N 3.07Å; D135-K139 WeakPolarHBondContact OD2-CE 3.18Å; D135-K139 IonicContact OD2-NZ 3.11Å; D135-K139 PolarHBondContact OD2-NZ 3.49Å; S136-K139 PolarHBondContact O-N 3.45Å; K139-S142 PolarHBondContact O-OG 2.96Å; K139-Q143 VanDerWaalsContact O-CB 3.3Å; K139-Q143 WeakPolarHBondContact O-CB 3.38Å; K139-Q143 PolarHBondContact O-N 3.48Å |
| 140 | A | 98.3 | Very high | 97.6 | Very high | 60 Ų | 60 | 54.2 Ų | 54.2 | 50% | 0.496 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63 | -46.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S136 D137 S144 | S136-A140 PolarHBondContact O-N 3.09Å; D137-A140 PolarHBondContact O-N 2.92Å; A140-S144 WeakPolarHBondContact O-CB 3.43Å; A140-S144 PolarHBondContact O-N 3.49Å; A140-S144 VanDerWaalsContact O-N 3.09Å |
| 141 | K | 98 | Very high | 97.4 | Very high | 80 Ų | 80 | 55 Ų | 55 | 35% | 0.348 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.8 | -42.1 | -179.7 | -71.5 | 177.6 | -170.1 | -58.2 | 0 | 112.3 | D137 S144 Y145 L281 W284 | D137-K141 VanDerWaalsContact O-CB 3.28Å; D137-K141 WeakPolarHBondContact O-CB 3.37Å; D137-K141 VanDerWaalsContact O-CG 3.24Å; D137-K141 WeakPolarHBondContact O-CG 3.43Å; D137-K141 PolarHBondContact O-N 3.28Å; K141-S144 PolarHBondContact O-N 2.93Å; K141-Y145 WeakPolarHBondContact O-CB 3.15Å; K141-Y145 PolarHBondContact O-N 3.03Å; K141-L281 HydrophobicContact CB-CD1 3.84Å; K141-L281 HydrophobicContact CD-CD1 4.39Å; K141-W284 HydrophobicContact CD-CD2 3.53Å; K141-W284 HydrophobicContact CD-CE3 3.79Å; K141-W284 HydrophobicContact CD-CG 3.88Å; K141-W284 HydrophobicContact CD-CZ2 4.35Å; K141-W284 HydrophobicContact CD-CZ3 4.29Å; K141-W284 VanDerWaalsContact CE-CE2 3.49Å |
| 142 | S | 97.7 | Very high | 97.1 | Very high | 22 Ų | 22 | 55.4 Ų | 55.4 | 15% | 0.154 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.8 | -42.6 | 178.6 | 59.9 | 0 | 0 | 0 | 0 | 111.7 | Y77 L138 K139 S144 Y145 N146 | Y77-S142 VanDerWaalsContact CE1-CB 3.47Å; Y77-S142 VanDerWaalsContact OH-CA 3.3Å; Y77-S142 WeakPolarHBondContact OH-CA 3.5Å; Y77-S142 PolarHBondContact OH-O 3.09Å; L138-S142 WeakPolarHBondContact O-CB 3.3Å; L138-S142 PolarHBondContact O-N 3.35Å; L138-S142 PolarHBondContact O-OG 2.97Å; K139-S142 PolarHBondContact O-OG 2.96Å; S142-S144 PolarHBondContact O-N 3Å; S142-Y145 PolarHBondContact O-N 3.31Å; S142-N146 WeakPolarHBondContact O-CB 3.3Å; S142-N146 PolarHBondContact O-N 3.38Å; S142-N146 PolarHBondContact O-ND2 3.48Å; S142-N146 PolarHBondContact O-OD1 3.22Å |
| 143 | Q | 97.7 | Very high | 96.8 | Very high | 138 Ų | 138 | 58.2 Ų | 58.2 | 65% | 0.645 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -60.7 | -45.9 | 175.3 | -174.7 | 177.9 | 8.2 | 0 | 0 | 111.9 | K139 T147 | K139-Q143 VanDerWaalsContact O-CB 3.3Å; K139-Q143 WeakPolarHBondContact O-CB 3.38Å; K139-Q143 PolarHBondContact O-N 3.48Å; Q143-T147 WeakPolarHBondContact O-CB 3.08Å; Q143-T147 PolarHBondContact O-N 2.83Å; Q143-T147 PolarHBondContact O-OG1 2.92Å |
| 144 | S | 96.7 | Very high | 96.4 | Very high | 64 Ų | 64 | 55.6 Ų | 55.6 | 45% | 0.448 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.6 | -50.6 | 177.5 | -178.8 | 0 | 0 | 0 | 0 | 111.7 | A140 K141 S142 T147 L148 | A140-S144 WeakPolarHBondContact O-CB 3.43Å; A140-S144 PolarHBondContact O-N 3.49Å; A140-S144 VanDerWaalsContact O-N 3.09Å; K141-S144 PolarHBondContact O-N 2.93Å; S142-S144 PolarHBondContact O-N 3Å; S144-T147 PolarHBondContact O-N 3.02Å; S144-L148 PolarHBondContact O-N 3.39Å |
| 145 | Y | 97.7 | Very high | 95.9 | Very high | 6 Ų | 6 | 56.4 Ų | 56.4 | 2% | 0.024 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.5 | -38.6 | -177.7 | -172.4 | -102 | 0 | 0 | 0 | 112.8 | V81 K141 S142 L148 K149 K274 Q277 F278 L281 | V81-Y145 HydrophobicContact CG1-CE1 4.38Å; V81-Y145 HydrophobicContact CG2-CD1 4.3Å; V81-Y145 HydrophobicContact CG2-CE1 4.24Å; K141-Y145 WeakPolarHBondContact O-CB 3.15Å; K141-Y145 PolarHBondContact O-N 3.03Å; S142-Y145 PolarHBondContact O-N 3.31Å; Y145-L148 PolarHBondContact O-N 2.95Å; Y145-K149 WeakPolarHBondContact O-CB 3.22Å; Y145-K149 PolarHBondContact O-N 3.4Å; Y145-K274 HydrophobicContact CE2-CG 4.21Å; Y145-Q277 HydrophobicContact CD2-CB 4.08Å; Y145-Q277 HydrophobicContact CE2-CB 4.38Å; Y145-F278 HydrophobicContact CE2-CB 4.3Å; Y145-L281 HydrophobicContact CD1-CD2 3.69Å; Y145-L281 HydrophobicContact CD2-CD2 3.76Å; Y145-L281 HydrophobicContact CE1-CD2 4.28Å; Y145-L281 HydrophobicContact CE2-CD2 4.35Å; Y145-L281 HydrophobicContact CG-CD2 3.39Å |
| 146 | N | 96.9 | Very high | 95.4 | Very high | 79 Ų | 79 | 59.7 Ų | 59.7 | 42% | 0.422 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -68.2 | -35 | 177.3 | -68.1 | -13.8 | 0 | 0 | 0 | 111.9 | Y77 S142 K149 G150 | Y77-N146 PolarHBondContact OH-OD1 3.43Å; S142-N146 WeakPolarHBondContact O-CB 3.3Å; S142-N146 PolarHBondContact O-N 3.38Å; S142-N146 PolarHBondContact O-ND2 3.48Å; S142-N146 PolarHBondContact O-OD1 3.22Å; N146-K149 PolarHBondContact O-N 3.47Å; N146-G150 PolarHBondContact O-N 3.47Å |
| 147 | T | 96.6 | Very high | 94.8 | Very high | 83 Ų | 83 | 65.1 Ų | 65.1 | 51% | 0.509 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.5 | -48 | 173.6 | -58.6 | 0 | 0 | 0 | 0 | 110.3 | Q143 S144 K149 G150 C151 | Q143-T147 WeakPolarHBondContact O-CB 3.08Å; Q143-T147 PolarHBondContact O-N 2.83Å; Q143-T147 PolarHBondContact O-OG1 2.92Å; S144-T147 PolarHBondContact O-N 3.02Å; T147-K149 VanDerWaalsContact C-N 3.35Å; T147-K149 PolarHBondContact O-N 2.96Å; T147-G150 PolarHBondContact O-N 3.17Å; T147-C151 PolarHBondContact O-N 3.41Å; T147-C151 PolarHBondContact O-SG 2.98Å; T147-C151 VanDerWaalsContact O-SG 3.34Å |
| 148 | L | 95.3 | Very high | 94.1 | Very high | 16 Ų | 16 | 68.4 Ų | 68.4 | 8% | 0.084 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -57.8 | -46.2 | 175.7 | 175.7 | 58.1 | 0 | 0 | 0 | 112.1 | S144 Y145 G150 C151 L152 L270 D273 K274 Q277 | S144-L148 PolarHBondContact O-N 3.39Å; Y145-L148 PolarHBondContact O-N 2.95Å; L148-G150 PolarHBondContact O-N 3.47Å; L148-C151 PolarHBondContact O-N 3.44Å; L148-L152 PolarHBondContact O-N 3.4Å; L148-L270 HydrophobicContact CD1-CB 4.27Å; L148-L270 HydrophobicContact CD1-CD2 3.54Å; L148-L270 HydrophobicContact CD1-CG 4.5Å; L148-D273 HydrophobicContact CD1-CB 4.04Å; L148-D273 HydrophobicContact CD2-CB 4.03Å; L148-K274 HydrophobicContact CD2-CB 4.23Å; L148-K274 HydrophobicContact CG-CB 4.4Å; L148-Q277 HydrophobicContact CD2-CG 4.35Å |
| 149 | K | 95.2 | Very high | 93.4 | Very high | 66 Ų | 66 | 69.7 Ų | 69.7 | 29% | 0.287 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 175.8 | -177.6 | 173.9 | 172 | 169 | 0 | 112.1 | E83 Y145 N146 T147 L152 Q153 | E83-K149 WeakPolarHBondContact OE1-CE 3.37Å; E83-K149 IonicContact OE1-NZ 3.87Å; E83-K149 PolarHBondContact OE1-NZ 2.94Å; Y145-K149 WeakPolarHBondContact O-CB 3.22Å; Y145-K149 PolarHBondContact O-N 3.4Å; N146-K149 PolarHBondContact O-N 3.47Å; T147-K149 VanDerWaalsContact C-N 3.35Å; T147-K149 PolarHBondContact O-N 2.96Å; K149-L152 PolarHBondContact O-N 3.02Å; K149-Q153 WeakPolarHBondContact O-CB 3.49Å; K149-Q153 PolarHBondContact O-N 3.04Å |
| 150 | G | 94.5 | Very high | 92.7 | Very high | 25 Ų | 25 | 68 Ų | 68 | 26% | 0.258 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66 | -39.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | N146 T147 L148 N154 | N146-G150 PolarHBondContact O-N 3.47Å; T147-G150 PolarHBondContact O-N 3.17Å; L148-G150 PolarHBondContact O-N 3.47Å; G150-N154 WeakPolarHBondContact O-CB 3.22Å; G150-N154 VanDerWaalsContact O-CG 3.3Å; G150-N154 PolarHBondContact O-N 3.42Å; G150-N154 PolarHBondContact O-ND2 3.22Å; G150-N154 VanDerWaalsContact O-ND2 3.07Å |
| 151 | C | 94.1 | Very high | 92 | Very high | 58 Ų | 58 | 67.6 Ų | 67.6 | 39% | 0.392 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.2 | -48.6 | 172.7 | -71.3 | 0 | 0 | 0 | 0 | 111.4 | T147 L148 N154 L155 L270 | T147-C151 PolarHBondContact O-N 3.41Å; T147-C151 PolarHBondContact O-SG 2.98Å; T147-C151 VanDerWaalsContact O-SG 3.34Å; L148-C151 PolarHBondContact O-N 3.44Å; C151-N154 PolarHBondContact O-N 2.97Å; C151-L155 PolarHBondContact O-N 3.18Å; C151-L155 VanDerWaalsContact O-N 3.13Å; C151-L270 HydrophobicContact CB-CD1 4.2Å |
| 152 | L | 93 | Very high | 91.7 | Very high | 8 Ų | 8 | 65.9 Ų | 65.9 | 4% | 0.042 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.1 | -49.8 | 178.4 | -174 | 69.7 | 0 | 0 | 0 | 111.4 | L148 K149 N154 L155 E156 L267 L270 E271 K274 | L148-L152 PolarHBondContact O-N 3.4Å; K149-L152 PolarHBondContact O-N 3.02Å; L152-N154 VanDerWaalsContact C-N 3.26Å; L152-N154 PolarHBondContact O-N 3.35Å; L152-L155 PolarHBondContact O-N 3.35Å; L152-L155 VanDerWaalsContact O-N 3.08Å; L152-E156 HydrophobicContact CG-CG 4.38Å; L152-E156 WeakPolarHBondContact O-CG 3.28Å; L152-E156 PolarHBondContact O-N 2.83Å; L152-L267 HydrophobicContact CD1-CD1 4.14Å; L152-L270 HydrophobicContact CD1-CB 3.98Å; L152-E271 HydrophobicContact CD1-CG 3.69Å; L152-E271 HydrophobicContact CD2-CG 4.37Å; L152-K274 HydrophobicContact CD2-CD 3.81Å |
| 153 | Q | 91.5 | Very high | 91.5 | Very high | 124 Ų | 124 | 64.9 Ų | 64.9 | 58% | 0.579 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -59.9 | -36 | 178.9 | -172.5 | -179.8 | 12 | 0 | 0 | 112.4 | K149 R157 | K149-Q153 WeakPolarHBondContact O-CB 3.49Å; K149-Q153 PolarHBondContact O-N 3.04Å; Q153-R157 VanDerWaalsContact O-CB 3.31Å; Q153-R157 WeakPolarHBondContact O-CB 3.37Å; Q153-R157 PolarHBondContact O-N 3.21Å |
| 154 | N | 90.2 | Very high | 91.3 | Very high | 81 Ų | 81 | 61.9 Ų | 61.9 | 43% | 0.433 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67.2 | -38.1 | 176.3 | -82 | -38.6 | 0 | 0 | 0 | 112.6 | G150 C151 L152 R157 K158 | G150-N154 WeakPolarHBondContact O-CB 3.22Å; G150-N154 VanDerWaalsContact O-CG 3.3Å; G150-N154 PolarHBondContact O-N 3.42Å; G150-N154 PolarHBondContact O-ND2 3.22Å; G150-N154 VanDerWaalsContact O-ND2 3.07Å; C151-N154 PolarHBondContact O-N 2.97Å; L152-N154 VanDerWaalsContact C-N 3.26Å; L152-N154 PolarHBondContact O-N 3.35Å; N154-R157 PolarHBondContact OD1-NH2 2.93Å; N154-K158 WeakPolarHBondContact O-CG 3.44Å; N154-K158 PolarHBondContact O-N 2.94Å |
| 155 | L | 87.2 | Confident | 91 | Very high | 22 Ų | 22 | 64.1 Ų | 64.1 | 12% | 0.115 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -71.1 | -45.5 | 174.9 | -68 | -177.6 | 0 | 0 | 0 | 111.5 | C151 L152 R157 K158 Q159 E266 L267 L270 | C151-L155 PolarHBondContact O-N 3.18Å; C151-L155 VanDerWaalsContact O-N 3.13Å; L152-L155 PolarHBondContact O-N 3.35Å; L152-L155 VanDerWaalsContact O-N 3.08Å; L155-R157 PolarHBondContact O-N 3.38Å; L155-K158 WeakPolarHBondContact O-CB 3.29Å; L155-K158 PolarHBondContact O-N 3.27Å; L155-Q159 PolarHBondContact O-N 3.36Å; L155-E266 HydrophobicContact CD1-CG 4.15Å; L155-L267 HydrophobicContact CB-CD1 3.7Å; L155-L267 HydrophobicContact CD1-CD1 4.26Å; L155-L270 HydrophobicContact CD1-CD1 3.53Å |
| 156 | E | 88.4 | Confident | 90.7 | Very high | 81 Ų | 81 | 66.1 Ų | 66.1 | 38% | 0.379 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -57.5 | -39.1 | 175.4 | -71.6 | 172.5 | 167 | 0 | 0 | 111.6 | L152 K158 Q159 T160 L267 | L152-E156 HydrophobicContact CG-CG 4.38Å; L152-E156 WeakPolarHBondContact O-CG 3.28Å; L152-E156 PolarHBondContact O-N 2.83Å; E156-K158 VanDerWaalsContact C-N 3.35Å; E156-K158 PolarHBondContact O-N 2.98Å; E156-Q159 CarbonylContact O-C 3.54Å; E156-Q159 PolarHBondContact O-N 3.07Å; E156-T160 WeakPolarHBondContact O-CB 3.3Å; E156-T160 WeakPolarHBondContact O-CG2 3.24Å; E156-T160 PolarHBondContact O-N 2.84Å; E156-T160 PolarHBondContact O-OG1 3.22Å; E156-L267 HydrophobicContact CG-CD1 4.39Å |
| 157 | R | 86.3 | Confident | 90.4 | Very high | 173 Ų | 173 | 65.7 Ų | 65.7 | 65% | 0.653 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -65.8 | -34 | 174.9 | -173.2 | 176.8 | 60.4 | 156.1 | -3.9 | 112.9 | Q153 N154 L155 Q159 T160 | Q153-R157 VanDerWaalsContact O-CB 3.31Å; Q153-R157 WeakPolarHBondContact O-CB 3.37Å; Q153-R157 PolarHBondContact O-N 3.21Å; N154-R157 PolarHBondContact OD1-NH2 2.93Å; L155-R157 PolarHBondContact O-N 3.38Å; R157-Q159 VanDerWaalsContact C-N 3.28Å; R157-T160 WeakPolarHBondContact CA-OG1 3.23Å; R157-T160 PolarHBondContact O-N 3.1Å |
| 158 | K | 84.5 | Confident | 90.2 | Very high | 121 Ų | 121 | 61.8 Ų | 61.8 | 53% | 0.526 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -69 | -32.5 | 174 | -71 | 175.8 | 179.1 | -177.1 | 0 | 111.5 | N154 L155 E156 T160 R166 E167 | N154-K158 WeakPolarHBondContact O-CG 3.44Å; N154-K158 PolarHBondContact O-N 2.94Å; L155-K158 WeakPolarHBondContact O-CB 3.29Å; L155-K158 PolarHBondContact O-N 3.27Å; E156-K158 VanDerWaalsContact C-N 3.35Å; E156-K158 PolarHBondContact O-N 2.98Å; K158-T160 VanDerWaalsContact C-N 3.28Å; K158-T160 PolarHBondContact O-N 2.78Å; K158-R166 VanDerWaalsContact O-CG 3.28Å; K158-R166 WeakPolarHBondContact O-CG 3.45Å; K158-E167 PolarHBondContact O-N 2.94Å |
| 159 | Q | 82.6 | Confident | 90 | Very high | 38 Ų | 38 | 61.3 Ų | 61.3 | 18% | 0.178 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 5.5 | 173.2 | -64.7 | -179.7 | -4.5 | 0 | 0 | 113.3 | L155 E156 R157 R166 | L155-Q159 PolarHBondContact O-N 3.36Å; E156-Q159 CarbonylContact O-C 3.54Å; E156-Q159 PolarHBondContact O-N 3.07Å; R157-Q159 VanDerWaalsContact C-N 3.28Å; Q159-R166 PolarHBondContact O-NE 3.27Å; Q159-R166 PolarHBondContact O-NH1 3.44Å; Q159-R166 PolarHBondContact O-NH2 3.49Å |
| 160 | T | 83.6 | Confident | 89.7 | Confident | 82 Ų | 82 | 61.2 Ų | 61.2 | 50% | 0.503 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -134.3 | 153.2 | 178.2 | 51.3 | 0 | 0 | 0 | 0 | 110.2 | E156 R157 K158 | E156-T160 WeakPolarHBondContact O-CB 3.3Å; E156-T160 WeakPolarHBondContact O-CG2 3.24Å; E156-T160 PolarHBondContact O-N 2.84Å; E156-T160 PolarHBondContact O-OG1 3.22Å; R157-T160 WeakPolarHBondContact CA-OG1 3.23Å; R157-T160 PolarHBondContact O-N 3.1Å; K158-T160 VanDerWaalsContact C-N 3.28Å; K158-T160 PolarHBondContact O-N 2.78Å |
| 161 | G | 84.9 | Confident | 89.6 | Confident | 53 Ų | 53 | 61.1 Ų | 61.1 | 55% | 0.546 | 32% | 0.322 | S | S | . | . | S | Bend | trans | 114.7 | -171.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 162 | S | 91.6 | Very high | 89.6 | Confident | 43 Ų | 43 | 59 Ų | 59 | 30% | 0.301 | 31% | 0.307 | S | S | . | . | trans | -64.7 | 147.6 | -175.7 | 174.3 | 0 | 0 | 0 | 0 | 111.9 | L164 T165 R166 | S162-L164 PolarHBondContact O-N 2.9Å; S162-L164 PolarHBondContact OG-N 3.34Å; S162-T165 PolarHBondContact O-N 2.94Å; S162-R166 WeakPolarHBondContact O-CB 3.5Å; S162-R166 PolarHBondContact O-N 3.45Å | ||
| 163 | L | 93.8 | Very high | 89.6 | Confident | 2 Ų | 2 | 64.8 Ų | 64.8 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -13.8 | 169.6 | -73.2 | 174.8 | 0 | 0 | 0 | 114.2 | I171 V190 F219 D221 N224 L226 R251 | L163-I171 HydrophobicContact CD2-CD1 3.62Å; L163-V190 HydrophobicContact CB-CG1 4.09Å; L163-V190 HydrophobicContact CB-CG2 4.16Å; L163-V190 VanDerWaalsContact O-CG2 3.23Å; L163-V190 WeakPolarHBondContact O-CG2 3.49Å; L163-F219 HydrophobicContact CD1-CD1 4.38Å; L163-F219 HydrophobicContact CD2-CD1 3.89Å; L163-F219 HydrophobicContact CG-CD1 4.48Å; L163-D221 WeakPolarHBondContact CB-OD2 3.36Å; L163-D221 HydrophobicContact CD1-CB 4.09Å; L163-D221 HydrophobicContact CG-CB 4.06Å; L163-D221 WeakPolarHBondContact CG-OD2 3.42Å; L163-D221 PolarHBondContact N-OD2 2.72Å; L163-N224 HydrophobicContact CD1-CB 4.23Å; L163-N224 WeakPolarHBondContact CD1-O 3.31Å; L163-L226 HydrophobicContact CD1-CB 4.01Å; L163-L226 HydrophobicContact CD2-CB 4.09Å; L163-L226 HydrophobicContact CD2-CD1 4.33Å; L163-L226 HydrophobicContact CD2-CD2 4.35Å; L163-R251 PolarHBondContact O-NH1 3.18Å |
| 164 | L | 92.5 | Very high | 89.7 | Confident | 75 Ų | 75 | 65.6 Ų | 65.6 | 39% | 0.393 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -28.5 | 173.7 | -65.6 | 171.3 | 0 | 0 | 0 | 113.5 | S162 V190 V249 R251 | S162-L164 PolarHBondContact O-N 2.9Å; S162-L164 PolarHBondContact OG-N 3.34Å; L164-V190 HydrophobicContact CD2-CB 3.97Å; L164-V190 HydrophobicContact CD2-CG1 3.68Å; L164-V190 HydrophobicContact CD2-CG2 4.34Å; L164-V190 HydrophobicContact CG-CG1 4.2Å; L164-V249 HydrophobicContact CD2-CB 3.79Å; L164-V249 HydrophobicContact CD2-CG1 4.01Å; L164-V249 HydrophobicContact CD2-CG2 3.78Å; L164-R251 PolarHBondContact O-NE 2.89Å; L164-R251 PolarHBondContact O-NH1 2.89Å |
| 165 | T | 90 | Very high | 89.8 | Confident | 111 Ų | 111 | 69.2 Ų | 69.2 | 68% | 0.681 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.1 | -23.8 | -170.7 | 57.8 | 0 | 0 | 0 | 0 | 114.6 | S162 | S162-T165 PolarHBondContact O-N 2.94Š|
| 166 | R | 91.6 | Very high | 90.2 | Very high | 48 Ų | 48 | 69.4 Ų | 69.4 | 18% | 0.181 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -62.6 | 148.4 | -180 | -169.9 | -163.9 | 170.9 | 135.2 | 0.3 | 111.2 | K158 Q159 S162 D170 R251 | K158-R166 VanDerWaalsContact O-CG 3.28Å; K158-R166 WeakPolarHBondContact O-CG 3.45Å; Q159-R166 PolarHBondContact O-NE 3.27Å; Q159-R166 PolarHBondContact O-NH1 3.44Å; Q159-R166 PolarHBondContact O-NH2 3.49Å; S162-R166 WeakPolarHBondContact O-CB 3.5Å; S162-R166 PolarHBondContact O-N 3.45Å; R166-D170 IonicContact CZ-OD2 2.73Å; R166-D170 IonicContact NE-OD1 3.71Å; R166-D170 IonicContact NE-OD2 3.69Å; R166-D170 IonicContact NH2-OD1 2.68Å; R166-D170 IonicContact NH2-OD2 3.79Å; R166-D170 PolarHBondContact NH2-OD2 3.09Å; R166-R251 VanDerWaalsContact O-CZ 3.25Å; R166-R251 PolarHBondContact O-NH1 2.87Å; R166-R251 PolarHBondContact O-NH2 2.97Å |
| 167 | E | 90.6 | Very high | 90.5 | Very high | 70 Ų | 70 | 66.4 Ų | 66.4 | 33% | 0.327 | 33% | 0.33 | S | S | . | . | trans | -62.8 | 139.8 | 165.4 | -169.9 | 166.9 | 177.9 | 0 | 0 | 110.4 | K158 | K158-E167 PolarHBondContact O-N 2.94Š| ||
| 168 | L | 93.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | trans | -98.6 | -12.1 | -172.2 | -55.2 | -179.9 | 0 | 0 | 0 | 113.2 | D170 I171 V172 V188 L226 R251 F253 | L168-D170 PolarHBondContact O-N 3.43Å; L168-D170 VanDerWaalsContact O-N 3.08Å; L168-I171 HydrophobicContact CB-CG1 4.44Å; L168-I171 HydrophobicContact CD2-CD1 3.97Å; L168-I171 VanDerWaalsContact O-CG1 3.24Å; L168-I171 WeakPolarHBondContact O-CG1 3.48Å; L168-I171 PolarHBondContact O-N 3.43Å; L168-V172 HydrophobicContact CB-CG1 4.11Å; L168-V172 WeakPolarHBondContact O-CG1 3.48Å; L168-V172 WeakPolarHBondContact O-CG2 3.41Å; L168-V172 PolarHBondContact O-N 2.97Å; L168-V172 VanDerWaalsContact O-N 3.13Å; L168-V188 HydrophobicContact CD1-CB 4.25Å; L168-V188 HydrophobicContact CD1-CG1 4Å; L168-L226 HydrophobicContact CD1-CD1 4.21Å; L168-L226 HydrophobicContact CD1-CD2 4.38Å; L168-L226 HydrophobicContact CD2-CD1 4.04Å; L168-L226 HydrophobicContact CD2-CD2 3.92Å; L168-R251 HydrophobicContact CD1-CB 4.01Å; L168-R251 HydrophobicContact CD1-CG 4.11Å; L168-F253 HydrophobicContact CB-CD2 3.98Å; L168-F253 HydrophobicContact CB-CE2 3.95Å; L168-F253 HydrophobicContact CB-CG 4.43Å; L168-F253 HydrophobicContact CB-CZ 4.38Å; L168-F253 HydrophobicContact CD1-CB 3.95Å; L168-F253 HydrophobicContact CD1-CD1 4.41Å; L168-F253 HydrophobicContact CD1-CD2 4.15Å; L168-F253 HydrophobicContact CD1-CG 3.9Å; L168-F253 HydrophobicContact CG-CD2 4.38Å | ||
| 169 | G | 91.3 | Very high | 91.1 | Very high | 6 Ų | 6 | 58.4 Ų | 58.4 | 6% | 0.062 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -25.9 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | I260 | G169-I260 VanDerWaalsContact O-CG2 3.24Å; G169-I260 WeakPolarHBondContact O-CG2 3.3Å |
| 170 | D | 88 | Confident | 91.4 | Very high | 63 Ų | 63 | 64.1 Ų | 64.1 | 34% | 0.337 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -13.3 | 179.9 | 65.3 | -25.6 | 0 | 0 | 0 | 114.3 | R166 L168 | R166-D170 IonicContact CZ-OD2 2.73Å; R166-D170 IonicContact NE-OD1 3.71Å; R166-D170 IonicContact NE-OD2 3.69Å; R166-D170 IonicContact NH2-OD1 2.68Å; R166-D170 IonicContact NH2-OD2 3.79Å; R166-D170 PolarHBondContact NH2-OD2 3.09Å; L168-D170 PolarHBondContact O-N 3.43Å; L168-D170 VanDerWaalsContact O-N 3.08Å |
| 171 | I | 92.1 | Very high | 91.8 | Very high | 24 Ų | 24 | 61.7 Ų | 61.7 | 12% | 0.123 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | -8 | -178.9 | 59.6 | 173.5 | 0 | 0 | 0 | 113.8 | L163 L168 I218 F219 L226 | L163-I171 HydrophobicContact CD2-CD1 3.62Å; L168-I171 HydrophobicContact CB-CG1 4.44Å; L168-I171 HydrophobicContact CD2-CD1 3.97Å; L168-I171 VanDerWaalsContact O-CG1 3.24Å; L168-I171 WeakPolarHBondContact O-CG1 3.48Å; L168-I171 PolarHBondContact O-N 3.43Å; I171-I218 WeakPolarHBondContact O-CG2 3.4Å; I171-F219 HydrophobicContact CB-CB 4.36Å; I171-F219 HydrophobicContact CB-CD2 3.97Å; I171-F219 HydrophobicContact CB-CG 4.19Å; I171-F219 HydrophobicContact CD1-CB 4.07Å; I171-F219 HydrophobicContact CD1-CD1 4.19Å; I171-F219 HydrophobicContact CD1-CG 4.04Å; I171-F219 HydrophobicContact CG2-CD2 3.81Å; I171-F219 HydrophobicContact CG2-CE2 3.9Å; I171-F219 HydrophobicContact CG2-CG 4.26Å; I171-F219 HydrophobicContact CG2-CZ 4.42Å; I171-L226 HydrophobicContact CD1-CD2 3.73Å; I171-L226 HydrophobicContact CG1-CD2 4.25Å |
| 172 | V | 94.3 | Very high | 92.2 | Very high | 12 Ų | 12 | 66 Ų | 66 | 7% | 0.073 | 33% | 0.331 | C | S | . | . | trans | -100.6 | 157.6 | 175.5 | -61.2 | 0 | 0 | 0 | 0 | 112.1 | L168 F177 I218 L226 F253 Y255 I260 | L168-V172 HydrophobicContact CB-CG1 4.11Å; L168-V172 WeakPolarHBondContact O-CG1 3.48Å; L168-V172 WeakPolarHBondContact O-CG2 3.41Å; L168-V172 PolarHBondContact O-N 2.97Å; L168-V172 VanDerWaalsContact O-N 3.13Å; V172-F177 HydrophobicContact CB-CE2 3.74Å; V172-F177 HydrophobicContact CB-CZ 4.15Å; V172-F177 HydrophobicContact CG1-CE2 4.04Å; V172-F177 HydrophobicContact CG1-CZ 3.97Å; V172-F177 HydrophobicContact CG2-CE2 4.29Å; V172-I218 HydrophobicContact CG1-CD1 4.23Å; V172-I218 HydrophobicContact CG1-CG2 4.37Å; V172-L226 HydrophobicContact CG1-CD2 4.38Å; V172-F253 HydrophobicContact CG1-CE1 4.47Å; V172-F253 HydrophobicContact CG2-CE1 4.11Å; V172-F253 HydrophobicContact CG2-CZ 3.75Å; V172-Y255 HydrophobicContact CG2-CD2 3.94Å; V172-Y255 HydrophobicContact CG2-CE2 3.9Å; V172-I260 HydrophobicContact CG2-CD1 4.2Å | ||
| 173 | K | 93.5 | Very high | 92.4 | Very high | 131 Ų | 131 | 70.6 Ų | 70.6 | 57% | 0.57 | 34% | 0.343 | S | S | * | . | trans | -126.8 | 152.5 | 176.3 | -54.9 | 179 | -178.4 | 173 | 0 | 111.2 | E175 Q176 F177 | K173-E175 VanDerWaalsContact CB-OE2 3.28Å; K173-E175 WeakPolarHBondContact CB-OE2 3.27Å; K173-E175 PolarHBondContact O-N 3.03Å; K173-Q176 HydrophobicContact CB-CG 4.47Å; K173-Q176 WeakPolarHBondContact O-CB 3.5Å; K173-Q176 PolarHBondContact O-N 3.34Å; K173-Q176 VanDerWaalsContact O-N 3.14Å; K173-F177 WeakPolarHBondContact O-CD2 3.5Å | ||
| 174 | R | 93.2 | Very high | 92.5 | Very high | 140 Ų | 140 | 72.4 Ų | 72.4 | 53% | 0.528 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -54.9 | -39.5 | -178.4 | -172.6 | 174.4 | 177 | 169.5 | 1.5 | 113.4 | Q176 F177 Y255 | R174-Q176 PolarHBondContact O-N 3.22Å; R174-Q176 VanDerWaalsContact O-N 3.14Å; R174-F177 PolarHBondContact O-N 3.15Å; R174-F177 VanDerWaalsContact O-N 3.14Å; R174-Y255 WeakPolarHBondContact CA-OH 3.41Å; R174-Y255 HydrophobicContact CB-CE1 3.95Å; R174-Y255 WeakPolarHBondContact CB-OH 3.42Å; R174-Y255 HydrophobicContact CG-CE1 3.91Å; R174-Y255 PolarHBondContact N-OH 2.7Å |
| 175 | E | 93.2 | Very high | 92.7 | Very high | 157 Ų | 157 | 70.5 Ų | 70.5 | 73% | 0.734 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -65.8 | -18.5 | -174.4 | -56.5 | 73.7 | -152.7 | 0 | 0 | 112.7 | K173 F177 | K173-E175 VanDerWaalsContact CB-OE2 3.28Å; K173-E175 WeakPolarHBondContact CB-OE2 3.27Å; K173-E175 PolarHBondContact O-N 3.03Å; E175-F177 VanDerWaalsContact C-N 3.3Å |
| 176 | Q | 94.1 | Very high | 93 | Very high | 26 Ų | 26 | 65.5 Ų | 65.5 | 12% | 0.121 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -82 | -8.8 | -179.6 | -62.8 | 166.9 | -27.9 | 0 | 0 | 112.6 | K173 R174 T186 T228 | K173-Q176 HydrophobicContact CB-CG 4.47Å; K173-Q176 WeakPolarHBondContact O-CB 3.5Å; K173-Q176 PolarHBondContact O-N 3.34Å; K173-Q176 VanDerWaalsContact O-N 3.14Å; R174-Q176 PolarHBondContact O-N 3.22Å; R174-Q176 VanDerWaalsContact O-N 3.14Å; Q176-T186 WeakPolarHBondContact O-CG2 3.48Å; Q176-T228 HydrophobicContact CB-CG2 4.23Å |
| 177 | F | 95.7 | Very high | 93.3 | Very high | 19 Ų | 19 | 63.8 Ų | 63.8 | 8% | 0.083 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -122.7 | 135.7 | -173.1 | -66.5 | -97.9 | 0 | 0 | 0 | 111.8 | V172 K173 R174 E175 V179 T186 V188 F253 Y255 | V172-F177 HydrophobicContact CB-CE2 3.74Å; V172-F177 HydrophobicContact CB-CZ 4.15Å; V172-F177 HydrophobicContact CG1-CE2 4.04Å; V172-F177 HydrophobicContact CG1-CZ 3.97Å; V172-F177 HydrophobicContact CG2-CE2 4.29Å; K173-F177 WeakPolarHBondContact O-CD2 3.5Å; R174-F177 PolarHBondContact O-N 3.15Å; R174-F177 VanDerWaalsContact O-N 3.14Å; E175-F177 VanDerWaalsContact C-N 3.3Å; F177-V179 HydrophobicContact CB-CG2 4.17Å; F177-V179 PolarHBondContact O-N 2.81Å; F177-T186 HydrophobicContact CD1-CG2 4.06Å; F177-T186 HydrophobicContact CE1-CG2 4.37Å; F177-V188 HydrophobicContact CE1-CG2 3.5Å; F177-V188 HydrophobicContact CZ-CG2 3.54Å; F177-F253 AromaticContact CE1-CD1 3.87Å; F177-F253 HydrophobicContact CE1-CD1 3.87Å; F177-F253 AromaticContact CE1-CE1 3.72Å; F177-F253 HydrophobicContact CE1-CE1 3.72Å; F177-F253 HydrophobicContact CE2-CE1 4.46Å; F177-F253 HydrophobicContact CZ-CD1 4.07Å; F177-F253 AromaticContact CZ-CE1 3.66Å; F177-F253 HydrophobicContact CZ-CE1 3.66Å; F177-Y255 HydrophobicContact CB-CD2 4.47Å; F177-Y255 HydrophobicContact CB-CG 4.06Å; F177-Y255 HydrophobicContact CD1-CG 4.38Å; F177-Y255 AromaticContact CD2-CD2 3.49Å; F177-Y255 HydrophobicContact CD2-CD2 3.49Å; F177-Y255 VanDerWaalsContact CD2-CD2 3.49Å; F177-Y255 HydrophobicContact CD2-CE2 4.22Å; F177-Y255 AromaticContact CD2-CG 3.92Å; F177-Y255 HydrophobicContact CD2-CG 3.92Å; F177-Y255 AromaticContact CE2-CD2 3.85Å; F177-Y255 HydrophobicContact CE2-CD2 3.85Å; F177-Y255 AromaticContact CG-CD2 3.9Å; F177-Y255 HydrophobicContact CG-CD2 3.9Å; F177-Y255 AromaticContact CG-CG 3.84Å; F177-Y255 HydrophobicContact CG-CG 3.84Å; F177-Y255 HydrophobicContact CZ-CD2 4.44Å |
| 178 | I | 93.4 | Very high | 93.6 | Very high | 71 Ų | 71 | 60.5 Ų | 60.5 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | trans | -78.8 | 104.3 | 163.3 | -57.1 | -168.2 | 0 | 0 | 0 | 108.3 | L184 T186 T230 | I178-L184 HydrophobicContact CD1-CB 4.21Å; I178-L184 HydrophobicContact CD1-CD1 3.79Å; I178-L184 HydrophobicContact CG2-CB 4.26Å; I178-T186 PolarHBondContact N-OG1 3.46Å; I178-T230 HydrophobicContact CD1-CG2 3.43Å; I178-T230 VanDerWaalsContact CD1-CG2 3.43Å; I178-T230 HydrophobicContact CG1-CG2 4.15Å | ||
| 179 | V | 89.9 | Confident | 93.9 | Very high | 55 Ų | 55 | 60.4 Ų | 60.4 | 33% | 0.333 | 29% | 0.292 | S | S | . | . | trans | -93.9 | 150.8 | 176.4 | -166.6 | 0 | 0 | 0 | 0 | 109.5 | F177 S181 Y255 | F177-V179 HydrophobicContact CB-CG2 4.17Å; F177-V179 PolarHBondContact O-N 2.81Å; V179-S181 PolarHBondContact O-N 3.13Å; V179-Y255 HydrophobicContact CG2-CD1 3.91Å | ||
| 180 | D | 88.2 | Confident | 94.2 | Very high | 157 Ų | 157 | 60.2 Ų | 60.2 | 84% | 0.84 | 29% | 0.29 | S | S | * | . | S | Bend | trans | 60.2 | 13.3 | 174.4 | -54.2 | -41.1 | 0 | 0 | 0 | 116.9 | ||
| 181 | S | 93 | Very high | 94.7 | Very high | 32 Ų | 32 | 57.2 Ų | 57.2 | 22% | 0.224 | 27% | 0.274 | C | S | . | . | trans | -76 | 134.3 | 172 | -174.8 | 0 | 0 | 0 | 0 | 110.8 | V179 Y183 L184 K233 | V179-S181 PolarHBondContact O-N 3.13Å; S181-Y183 VanDerWaalsContact C-N 3.33Å; S181-Y183 PolarHBondContact OG-N 2.94Å; S181-L184 PolarHBondContact OG-N 3.43Å; S181-K233 WeakPolarHBondContact O-CE 3.47Å; S181-K233 PolarHBondContact O-NZ 3.17Å | ||
| 182 | E | 93.3 | Very high | 94.9 | Very high | 142 Ų | 142 | 57.6 Ų | 57.6 | 66% | 0.664 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -68.1 | -35.3 | 171.4 | -173.3 | 177.8 | -164.8 | 0 | 0 | 111.4 | K233 | E182-K233 WeakPolarHBondContact O-CD 3.32Å; E182-K233 PolarHBondContact O-NZ 3.37Å |
| 183 | Y | 95.1 | Very high | 95.1 | Very high | 141 Ų | 141 | 60.3 Ų | 60.3 | 55% | 0.553 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -107.6 | -34 | -168.9 | -59.4 | -78.2 | 0 | 0 | 0 | 114.6 | S181 F232 K233 | S181-Y183 VanDerWaalsContact C-N 3.33Å; S181-Y183 PolarHBondContact OG-N 2.94Å; Y183-F232 CarbonylContact O-C 3.43Å; Y183-F232 VanDerWaalsContact O-CA 3.28Å; Y183-F232 WeakPolarHBondContact O-CA 3.49Å; Y183-K233 PolarHBondContact O-N 2.88Å |
| 184 | L | 96.5 | Very high | 95.2 | Very high | 40 Ų | 40 | 60.3 Ų | 60.3 | 21% | 0.209 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 152.4 | -175.3 | -61.5 | 177.1 | 0 | 0 | 0 | 111 | I178 S181 V211 T230 L231 F232 K233 | I178-L184 HydrophobicContact CD1-CB 4.21Å; I178-L184 HydrophobicContact CD1-CD1 3.79Å; I178-L184 HydrophobicContact CG2-CB 4.26Å; S181-L184 PolarHBondContact OG-N 3.43Å; L184-V211 HydrophobicContact CD2-CG2 4.17Å; L184-T230 HydrophobicContact CB-CG2 4.37Å; L184-L231 WeakPolarHBondContact CA-O 3.37Å; L184-F232 HydrophobicContact CD2-CD1 4.24Å; L184-F232 HydrophobicContact CD2-CD2 3.63Å; L184-F232 HydrophobicContact CD2-CE1 4.33Å; L184-F232 HydrophobicContact CD2-CE2 3.76Å; L184-F232 HydrophobicContact CD2-CG 3.92Å; L184-F232 HydrophobicContact CD2-CZ 4.11Å; L184-K233 WeakPolarHBondContact O-CE 3.46Å |
| 185 | T | 95.8 | Very high | 95.5 | Very high | 34 Ų | 34 | 56.3 Ų | 56.3 | 21% | 0.209 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 146.5 | 170.1 | -170.6 | 0 | 0 | 0 | 0 | 109.4 | L187 T230 L231 K233 | T185-L187 HydrophobicContact CG2-CD2 4.26Å; T185-T230 WeakPolarHBondContact O-CA 3.39Å; T185-L231 PolarHBondContact N-O 2.97Å; T185-L231 PolarHBondContact O-N 3.46Å; T185-K233 HydrophobicContact CG2-CG 3.92Å |
| 186 | T | 97.3 | Very high | 95.7 | Very high | 7 Ų | 7 | 50.4 Ų | 50.4 | 4% | 0.043 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 122.1 | 170.2 | -53.7 | 0 | 0 | 0 | 0 | 108.7 | Q176 F177 I178 T228 V229 T230 | Q176-T186 WeakPolarHBondContact O-CG2 3.48Å; F177-T186 HydrophobicContact CD1-CG2 4.06Å; F177-T186 HydrophobicContact CE1-CG2 4.37Å; I178-T186 PolarHBondContact N-OG1 3.46Å; T186-T228 HydrophobicContact CG2-CG2 4.01Å; T186-V229 CarbonylContact C-O 3.57Å; T186-V229 WeakPolarHBondContact CA-O 3.37Å; T186-T230 PolarHBondContact OG1-OG1 3.35Å; T186-T230 VanDerWaalsContact OG1-OG1 3.09Å |
| 187 | L | 97.4 | Very high | 95.8 | Very high | 12 Ų | 12 | 54.8 Ų | 54.8 | 6% | 0.063 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 154.6 | 172.7 | -57.9 | -177.6 | 0 | 0 | 0 | 110.1 | T185 T228 V229 L231 T236 F239 V250 | T185-L187 HydrophobicContact CG2-CD2 4.26Å; L187-T228 CarbonylContact O-C 3.52Å; L187-T228 WeakPolarHBondContact O-CA 3.41Å; L187-V229 HydrophobicContact CB-CG1 3.94Å; L187-V229 PolarHBondContact N-O 2.85Å; L187-V229 PolarHBondContact O-N 2.9Å; L187-L231 HydrophobicContact CB-CD2 4.45Å; L187-L231 HydrophobicContact CD1-CD1 4.49Å; L187-L231 HydrophobicContact CD1-CD2 3.63Å; L187-L231 HydrophobicContact CG-CD2 3.73Å; L187-T236 HydrophobicContact CD1-CG2 4.14Å; L187-T236 HydrophobicContact CD2-CG2 3.97Å; L187-F239 HydrophobicContact CD1-CD1 3.76Å; L187-F239 HydrophobicContact CD1-CE1 4.42Å; L187-F239 HydrophobicContact CD1-CG 4.43Å; L187-V250 HydrophobicContact CB-CG1 4.15Å; L187-V250 HydrophobicContact CD1-CG1 4.06Å |
| 188 | V | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 128.7 | 173 | -165.9 | 0 | 0 | 0 | 0 | 109 | L168 F177 I218 L226 W227 R251 F253 | L168-V188 HydrophobicContact CD1-CB 4.25Å; L168-V188 HydrophobicContact CD1-CG1 4Å; F177-V188 HydrophobicContact CE1-CG2 3.5Å; F177-V188 HydrophobicContact CZ-CG2 3.54Å; V188-I218 HydrophobicContact CG1-CD1 4.29Å; V188-L226 HydrophobicContact CG1-CD1 3.29Å; V188-L226 HydrophobicContact CG1-CD2 3.84Å; V188-L226 HydrophobicContact CG1-CG 3.35Å; V188-W227 CarbonylContact C-O 3.54Å; V188-W227 WeakPolarHBondContact CA-O 3.47Å; V188-R251 HydrophobicContact CB-CB 4.46Å; V188-R251 PolarHBondContact O-N 3.41Å; V188-F253 HydrophobicContact CG2-CD1 3.73Å; V188-F253 HydrophobicContact CG2-CE1 4.47Å; V188-F253 HydrophobicContact CG2-CG 4.48Å |
| 189 | V | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 125.5 | -171.3 | -170 | 0 | 0 | 0 | 0 | 109.7 | V191 W199 W227 V229 F239 F248 V250 | V189-V191 HydrophobicContact CG1-CG2 4.05Å; V189-W199 HydrophobicContact CB-CH2 3.87Å; V189-W199 HydrophobicContact CB-CZ2 4.35Å; V189-W199 HydrophobicContact CB-CZ3 4.25Å; V189-W199 HydrophobicContact CG1-CE3 4.48Å; V189-W199 HydrophobicContact CG1-CH2 4Å; V189-W199 HydrophobicContact CG1-CZ3 3.85Å; V189-W199 HydrophobicContact CG2-CH2 3.68Å; V189-W199 HydrophobicContact CG2-CZ2 4.37Å; V189-W199 HydrophobicContact CG2-CZ3 4.3Å; V189-W227 PolarHBondContact N-O 3.47Å; V189-W227 PolarHBondContact O-N 3.44Å; V189-V229 HydrophobicContact CG2-CG1 3.9Å; V189-F239 HydrophobicContact CG2-CE1 4.17Å; V189-F248 HydrophobicContact CG1-CB 3.78Å; V189-V250 HydrophobicContact CG1-CG2 4.46Å; V189-V250 HydrophobicContact CG2-CG2 4.14Å |
| 190 | V | 98.1 | Very high | 96.5 | Very high | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.012 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 120.4 | 172.7 | -175.9 | 0 | 0 | 0 | 0 | 108.1 | L163 L164 N224 G225 L226 V249 R251 | L163-V190 HydrophobicContact CB-CG1 4.09Å; L163-V190 HydrophobicContact CB-CG2 4.16Å; L163-V190 VanDerWaalsContact O-CG2 3.23Å; L163-V190 WeakPolarHBondContact O-CG2 3.49Å; L164-V190 HydrophobicContact CD2-CB 3.97Å; L164-V190 HydrophobicContact CD2-CG1 3.68Å; L164-V190 HydrophobicContact CD2-CG2 4.34Å; L164-V190 HydrophobicContact CG-CG1 4.2Å; V190-N224 HydrophobicContact CG1-CB 3.57Å; V190-G225 WeakPolarHBondContact CA-O 3.48Å; V190-L226 HydrophobicContact CG2-CD1 3.82Å; V190-V249 HydrophobicContact CB-CB 4.3Å; V190-V249 PolarHBondContact N-O 3.31Å; V190-V249 PolarHBondContact O-N 3.48Å; V190-R251 HydrophobicContact CG2-CG 3.67Å |
| 191 | V | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 127 | -177.3 | -177.8 | 0 | 0 | 0 | 0 | 108.2 | V189 M195 Y196 W199 N224 G225 W227 F248 | V189-V191 HydrophobicContact CG1-CG2 4.05Å; V191-M195 HydrophobicContact CG1-CB 4.28Å; V191-Y196 HydrophobicContact CB-CD1 4.29Å; V191-Y196 HydrophobicContact CB-CE1 4.34Å; V191-Y196 HydrophobicContact CG1-CD1 3.85Å; V191-Y196 HydrophobicContact CG1-CE1 4.36Å; V191-Y196 WeakPolarHBondContact O-CE1 3.35Å; V191-W199 HydrophobicContact CG1-CB 3.81Å; V191-W199 HydrophobicContact CG1-CG 4.37Å; V191-W199 HydrophobicContact CG2-CB 4.2Å; V191-W199 HydrophobicContact CG2-CD2 3.81Å; V191-W199 HydrophobicContact CG2-CE3 3.96Å; V191-W199 HydrophobicContact CG2-CG 3.91Å; V191-N224 CarbonylContact O-C 3.57Å; V191-N224 WeakPolarHBondContact O-CA 3.32Å; V191-G225 PolarHBondContact N-O 3.07Å; V191-G225 PolarHBondContact O-N 2.81Å; V191-W227 HydrophobicContact CG2-CG 4.18Å; V191-F248 HydrophobicContact CB-CD1 4.4Å; V191-F248 HydrophobicContact CG1-CD1 3.93Å; V191-F248 HydrophobicContact CG1-CE1 3.75Å; V191-F248 HydrophobicContact CG1-CZ 4.36Å; V191-F248 HydrophobicContact CG2-CD1 4.28Å; V191-F248 HydrophobicContact CG2-CG 4.34Å |
| 192 | P | 97.8 | Very high | 97 | Very high | 32 Ų | 32 | 53.9 Ų | 53.9 | 21% | 0.208 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 139.5 | 171.9 | -26.7 | 37 | 0 | 0 | 0 | 111.7 | N194 M195 Y196 | P192-N194 WeakPolarHBondContact CB-OD1 3.39Å; P192-N194 PolarHBondContact O-N 3.44Å; P192-N194 VanDerWaalsContact O-N 3.16Å; P192-M195 HydrophobicContact CB-CG 4.22Å; P192-M195 PolarHBondContact O-N 3.35Å; P192-Y196 WeakPolarHBondContact O-CD1 3.27Å |
| 193 | K | 97.2 | Very high | 97.2 | Very high | 69 Ų | 69 | 47.7 Ų | 47.7 | 30% | 0.3 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -53.6 | -39.4 | -176.4 | -78 | -175.3 | -167.6 | -159.7 | 0 | 114 | M195 Y196 E220 D221 Q222 D223 | K193-M195 PolarHBondContact O-N 3.15Å; K193-Y196 HydrophobicContact CB-CE1 4.49Å; K193-Y196 HydrophobicContact CG-CE1 4.28Å; K193-Y196 HydrophobicContact CG-CE2 4.31Å; K193-Y196 PolarHBondContact O-N 3.43Å; K193-E220 HydrophobicContact CD-CG 4.38Å; K193-E220 WeakPolarHBondContact CE-OE1 3.38Å; K193-E220 VanDerWaalsContact NZ-CD 3.29Å; K193-E220 IonicContact NZ-OE1 2.68Å; K193-E220 PolarHBondContact NZ-OE1 3.38Å; K193-D221 WeakPolarHBondContact CE-O 3.41Å; K193-D221 PolarHBondContact NZ-O 3.03Å; K193-Q222 VanDerWaalsContact CE-C 3.49Å; K193-Q222 WeakPolarHBondContact CE-O 3.37Å; K193-Q222 PolarHBondContact NZ-O 2.95Å; K193-Q222 VanDerWaalsContact NZ-O 3.14Å; K193-D223 WeakPolarHBondContact CG-O 3.45Å; K193-D223 PolarHBondContact N-O 2.9Å |
| 194 | N | 97 | Very high | 97.3 | Very high | 131 Ų | 131 | 44.6 Ų | 44.6 | 70% | 0.701 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -67.1 | -15.2 | 178.8 | 63.1 | -25.8 | 0 | 0 | 0 | 113.8 | P192 | P192-N194 WeakPolarHBondContact CB-OD1 3.39Å; P192-N194 PolarHBondContact O-N 3.44Å; P192-N194 VanDerWaalsContact O-N 3.16Å |
| 195 | M | 97.6 | Very high | 97.2 | Very high | 56 Ų | 56 | 52.8 Ų | 52.8 | 28% | 0.276 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -108.6 | 11.3 | -177.7 | -57.1 | -66.5 | -68 | 0 | 0 | 113.2 | V191 P192 K193 N197 D198 W199 F248 | V191-M195 HydrophobicContact CG1-CB 4.28Å; P192-M195 HydrophobicContact CB-CG 4.22Å; P192-M195 PolarHBondContact O-N 3.35Å; K193-M195 PolarHBondContact O-N 3.15Å; M195-N197 VanDerWaalsContact C-N 3.27Å; M195-N197 PolarHBondContact O-N 2.99Å; M195-D198 HydrophobicContact CE-CB 4.05Å; M195-D198 WeakPolarHBondContact CE-OD2 3.41Å; M195-D198 WeakPolarHBondContact O-CB 3.36Å; M195-D198 PolarHBondContact O-N 3.44Å; M195-D198 VanDerWaalsContact O-N 3.11Å; M195-D198 VanDerWaalsContact SD-OD2 3.39Å; M195-W199 PolarHBondContact O-N 3.25Å; M195-F248 HydrophobicContact CB-CE1 3.73Å; M195-F248 HydrophobicContact CB-CZ 4.32Å; M195-F248 HydrophobicContact CG-CE1 4.41Å |
| 196 | Y | 98.1 | Very high | 97.1 | Very high | 32 Ų | 32 | 51.9 Ų | 51.9 | 13% | 0.125 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.4 | -36.3 | -179.4 | -78.1 | 2.4 | 0 | 0 | 0 | 113.7 | V191 P192 K193 D198 W199 K200 E220 G225 W227 | V191-Y196 HydrophobicContact CB-CD1 4.29Å; V191-Y196 HydrophobicContact CB-CE1 4.34Å; V191-Y196 HydrophobicContact CG1-CD1 3.85Å; V191-Y196 HydrophobicContact CG1-CE1 4.36Å; V191-Y196 WeakPolarHBondContact O-CE1 3.35Å; P192-Y196 WeakPolarHBondContact O-CD1 3.27Å; K193-Y196 HydrophobicContact CB-CE1 4.49Å; K193-Y196 HydrophobicContact CG-CE1 4.28Å; K193-Y196 HydrophobicContact CG-CE2 4.31Å; K193-Y196 PolarHBondContact O-N 3.43Å; Y196-D198 VanDerWaalsContact C-N 3.34Å; Y196-W199 PolarHBondContact O-N 3.17Å; Y196-K200 WeakPolarHBondContact O-CG 3.35Å; Y196-K200 PolarHBondContact O-N 2.86Å; Y196-E220 WeakPolarHBondContact CE2-OE2 3.43Å; Y196-E220 PolarHBondContact OH-OE2 3.4Å; Y196-G225 WeakPolarHBondContact OH-CA 3.39Å; Y196-G225 PolarHBondContact OH-N 2.97Å; Y196-G225 VanDerWaalsContact OH-N 3.11Å; Y196-W227 HydrophobicContact CD1-CZ2 4.08Å; Y196-W227 AromaticContact CD1-NE1 3.68Å; Y196-W227 AromaticContact CD2-CZ2 3.96Å; Y196-W227 HydrophobicContact CD2-CZ2 3.96Å; Y196-W227 HydrophobicContact CE1-CZ2 4.27Å; Y196-W227 AromaticContact CE1-NE1 3.41Å; Y196-W227 HydrophobicContact CE2-CZ2 4.16Å; Y196-W227 AromaticContact CG-CZ2 3.92Å; Y196-W227 HydrophobicContact CG-CZ2 3.92Å; Y196-W227 AromaticContact CZ-NE1 3.95Å |
| 197 | N | 97.4 | Very high | 96.9 | Very high | 119 Ų | 119 | 52.4 Ų | 52.4 | 64% | 0.636 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -68.3 | -38 | 177.2 | -68.6 | -29.7 | 0 | 0 | 0 | 111.1 | M195 S201 | M195-N197 VanDerWaalsContact C-N 3.27Å; M195-N197 PolarHBondContact O-N 2.99Å; N197-S201 VanDerWaalsContact O-CB 3.3Å; N197-S201 WeakPolarHBondContact O-CB 3.39Å; N197-S201 PolarHBondContact O-N 3.4Å; N197-S201 PolarHBondContact O-OG 2.88Å |
| 198 | D | 96.9 | Very high | 96.7 | Very high | 64 Ų | 64 | 57.9 Ų | 57.9 | 34% | 0.342 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.7 | -42.1 | 176.1 | -61.4 | -47 | 0 | 0 | 0 | 111 | M195 Y196 S201 N202 F248 | M195-D198 HydrophobicContact CE-CB 4.05Å; M195-D198 WeakPolarHBondContact CE-OD2 3.41Å; M195-D198 WeakPolarHBondContact O-CB 3.36Å; M195-D198 PolarHBondContact O-N 3.44Å; M195-D198 VanDerWaalsContact O-N 3.11Å; M195-D198 VanDerWaalsContact SD-OD2 3.39Å; Y196-D198 VanDerWaalsContact C-N 3.34Å; D198-S201 PolarHBondContact O-N 2.82Å; D198-N202 VanDerWaalsContact O-CB 3.3Å; D198-N202 WeakPolarHBondContact O-CB 3.44Å; D198-N202 PolarHBondContact O-N 3.45Å; D198-N202 PolarHBondContact O-ND2 2.81Å; D198-F248 HydrophobicContact CB-CZ 4.36Å |
| 199 | W | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -56.1 | -57.9 | 172.8 | 172 | -107.2 | 0 | 0 | 0 | 111.3 | V189 V191 M195 Y196 S201 N202 Y203 M206 S215 W227 V229 F239 F248 | V189-W199 HydrophobicContact CB-CH2 3.87Å; V189-W199 HydrophobicContact CB-CZ2 4.35Å; V189-W199 HydrophobicContact CB-CZ3 4.25Å; V189-W199 HydrophobicContact CG1-CE3 4.48Å; V189-W199 HydrophobicContact CG1-CH2 4Å; V189-W199 HydrophobicContact CG1-CZ3 3.85Å; V189-W199 HydrophobicContact CG2-CH2 3.68Å; V189-W199 HydrophobicContact CG2-CZ2 4.37Å; V189-W199 HydrophobicContact CG2-CZ3 4.3Å; V191-W199 HydrophobicContact CG1-CB 3.81Å; V191-W199 HydrophobicContact CG1-CG 4.37Å; V191-W199 HydrophobicContact CG2-CB 4.2Å; V191-W199 HydrophobicContact CG2-CD2 3.81Å; V191-W199 HydrophobicContact CG2-CE3 3.96Å; V191-W199 HydrophobicContact CG2-CG 3.91Å; M195-W199 PolarHBondContact O-N 3.25Å; Y196-W199 PolarHBondContact O-N 3.17Å; W199-S201 PolarHBondContact O-N 3.42Å; W199-N202 PolarHBondContact O-N 3.38Å; W199-N202 VanDerWaalsContact O-N 3.17Å; W199-Y203 HydrophobicContact CH2-CG 4.48Å; W199-Y203 HydrophobicContact CZ2-CD2 4.32Å; W199-Y203 HydrophobicContact CZ2-CG 4.15Å; W199-Y203 WeakPolarHBondContact O-CB 3.21Å; W199-Y203 WeakPolarHBondContact O-CD1 3.42Å; W199-Y203 PolarHBondContact O-N 2.96Å; W199-M206 HydrophobicContact CE3-CE 4.07Å; W199-M206 HydrophobicContact CZ3-CE 4.09Å; W199-M206 HydrophobicContact CZ3-SD 4.25Å; W199-S215 PolarHBondContact NE1-OG 3.28Å; W199-W227 AromaticContact CD1-CD2 3.64Å; W199-W227 AromaticContact CD1-CE3 3.76Å; W199-W227 AromaticContact CD1-CG 3.96Å; W199-W227 HydrophobicContact CZ2-CB 4.13Å; W199-W227 AromaticContact NE1-CD2 3.59Å; W199-W227 AromaticContact NE1-CE3 3.56Å; W199-W227 AromaticContact NE1-CG 3.67Å; W199-V229 HydrophobicContact CH2-CB 4.15Å; W199-V229 HydrophobicContact CH2-CG1 4.05Å; W199-V229 HydrophobicContact CZ2-CB 4.09Å; W199-V229 HydrophobicContact CZ2-CG1 4.41Å; W199-F239 HydrophobicContact CH2-CE1 4.28Å; W199-F239 AromaticContact CH2-CZ 3.78Å; W199-F239 HydrophobicContact CH2-CZ 3.78Å; W199-F239 HydrophobicContact CZ3-CZ 4.03Å; W199-F248 HydrophobicContact CB-CE2 4.29Å; W199-F248 HydrophobicContact CB-CZ 4.18Å; W199-F248 AromaticContact CE3-CD2 3.57Å; W199-F248 HydrophobicContact CE3-CD2 3.57Å; W199-F248 AromaticContact CE3-CE2 3.71Å; W199-F248 HydrophobicContact CE3-CE2 3.71Å; W199-F248 HydrophobicContact CE3-CG 4.33Å; W199-F248 HydrophobicContact CZ3-CD2 4Å |
| 200 | K | 97.3 | Very high | 96.6 | Very high | 118 Ų | 118 | 62.1 Ų | 62.1 | 51% | 0.513 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.2 | -33.4 | -178.2 | -71.6 | 175.2 | -177.3 | 177.3 | 0 | 113.4 | Y196 | Y196-K200 WeakPolarHBondContact O-CG 3.35Å; Y196-K200 PolarHBondContact O-N 2.86Å |
| 201 | S | 96.1 | Very high | 96.6 | Very high | 81 Ų | 81 | 64.3 Ų | 64.3 | 57% | 0.566 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -81.9 | -25.9 | -177.5 | -55.6 | 0 | 0 | 0 | 0 | 113.5 | N197 D198 W199 | N197-S201 VanDerWaalsContact O-CB 3.3Å; N197-S201 WeakPolarHBondContact O-CB 3.39Å; N197-S201 PolarHBondContact O-N 3.4Å; N197-S201 PolarHBondContact O-OG 2.88Å; D198-S201 PolarHBondContact O-N 2.82Å; W199-S201 PolarHBondContact O-N 3.42Å |
| 202 | N | 96.3 | Very high | 96.4 | Very high | 51 Ų | 51 | 68.4 Ų | 68.4 | 27% | 0.273 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -119 | -22.7 | -167.7 | -63.2 | -72.4 | 0 | 0 | 0 | 115 | D198 W199 E204 R205 M206 F246 | D198-N202 VanDerWaalsContact O-CB 3.3Å; D198-N202 WeakPolarHBondContact O-CB 3.44Å; D198-N202 PolarHBondContact O-N 3.45Å; D198-N202 PolarHBondContact O-ND2 2.81Å; W199-N202 PolarHBondContact O-N 3.38Å; W199-N202 VanDerWaalsContact O-N 3.17Å; N202-E204 VanDerWaalsContact C-N 3.26Å; N202-E204 PolarHBondContact O-N 2.95Å; N202-E204 VanDerWaalsContact O-N 3.14Å; N202-R205 PolarHBondContact O-N 3.26Å; N202-M206 HydrophobicContact CB-CE 4.48Å; N202-M206 PolarHBondContact O-N 3.44Å; N202-F246 HydrophobicContact CB-CE1 4.05Å; N202-F246 HydrophobicContact CB-CZ 4.15Å |
| 203 | Y | 97.2 | Very high | 96.3 | Very high | 12 Ų | 12 | 76 Ų | 76 | 5% | 0.047 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -56.4 | -37.2 | -170.9 | 84.4 | -81.8 | 0 | 0 | 0 | 113.6 | W199 R205 M206 V210 K213 S214 V229 | W199-Y203 HydrophobicContact CH2-CG 4.48Å; W199-Y203 HydrophobicContact CZ2-CD2 4.32Å; W199-Y203 HydrophobicContact CZ2-CG 4.15Å; W199-Y203 WeakPolarHBondContact O-CB 3.21Å; W199-Y203 WeakPolarHBondContact O-CD1 3.42Å; W199-Y203 PolarHBondContact O-N 2.96Å; Y203-R205 PolarHBondContact O-N 2.76Å; Y203-M206 PolarHBondContact O-N 3.38Å; Y203-V210 HydrophobicContact CD2-CG1 4.22Å; Y203-V210 HydrophobicContact CE2-CG1 4.25Å; Y203-K213 WeakPolarHBondContact OH-CA 3.31Å; Y203-K213 PolarHBondContact OH-N 2.73Å; Y203-S214 PolarHBondContact OH-N 2.91Å; Y203-V229 HydrophobicContact CD2-CB 4.34Å; Y203-V229 HydrophobicContact CD2-CG2 3.64Å; Y203-V229 HydrophobicContact CE2-CG2 3.98Å |
| 204 | E | 96.7 | Very high | 96.2 | Very high | 77 Ų | 77 | 73.9 Ų | 73.9 | 36% | 0.36 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -67 | -19.4 | 178.4 | -58.9 | -173 | 178.4 | 0 | 0 | 113.6 | N202 K213 | N202-E204 VanDerWaalsContact C-N 3.26Å; N202-E204 PolarHBondContact O-N 2.95Å; N202-E204 VanDerWaalsContact O-N 3.14Å; E204-K213 PolarHBondContact OE1-N 3.34Å |
| 205 | R | 95.2 | Very high | 96.3 | Very high | 212 Ų | 212 | 69 Ų | 69 | 80% | 0.8 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -111.8 | 1.5 | -174.4 | -59.8 | -179.4 | -177.5 | 177.8 | 1.1 | 113.2 | N202 Y203 T207 | N202-R205 PolarHBondContact O-N 3.26Å; Y203-R205 PolarHBondContact O-N 2.76Å; R205-T207 VanDerWaalsContact C-N 3.3Å; R205-T207 PolarHBondContact O-N 2.94Å |
| 206 | M | 93.7 | Very high | 96.2 | Very high | 15 Ų | 15 | 71 Ų | 71 | 7% | 0.074 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -62.2 | -41.9 | 178.2 | -75 | 178.5 | -177.1 | 0 | 0 | 110.9 | W199 N202 Y203 F239 Q242 F246 F248 | W199-M206 HydrophobicContact CE3-CE 4.07Å; W199-M206 HydrophobicContact CZ3-CE 4.09Å; W199-M206 HydrophobicContact CZ3-SD 4.25Å; N202-M206 HydrophobicContact CB-CE 4.48Å; N202-M206 PolarHBondContact O-N 3.44Å; Y203-M206 PolarHBondContact O-N 3.38Å; M206-F239 HydrophobicContact CB-CD2 4.16Å; M206-F239 HydrophobicContact CB-CE2 3.99Å; M206-F239 HydrophobicContact SD-CE2 3.9Å; M206-F239 HydrophobicContact SD-CZ 3.86Å; M206-Q242 HydrophobicContact CB-CB 3.93Å; M206-Q242 HydrophobicContact CG-CB 4.42Å; M206-Q242 WeakPolarHBondContact O-CG 2.78Å; M206-F246 HydrophobicContact CE-CB 4.28Å; M206-F246 HydrophobicContact CE-CD1 4.48Å; M206-F246 HydrophobicContact CE-CD2 3.92Å; M206-F246 HydrophobicContact CE-CE2 4.38Å; M206-F246 HydrophobicContact CE-CG 3.98Å; M206-F246 HydrophobicContact CG-CE2 4.37Å; M206-F248 HydrophobicContact CE-CD2 3.54Å; M206-F248 HydrophobicContact CE-CE2 3.43Å; M206-F248 VanDerWaalsContact CE-CE2 3.43Å |
| 207 | T | 94.1 | Very high | 96.2 | Very high | 17 Ų | 17 | 72.6 Ų | 72.6 | 10% | 0.104 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -143.9 | 165.5 | 176 | 63.1 | 0 | 0 | 0 | 0 | 110.6 | R205 D238 F239 Q242 | R205-T207 VanDerWaalsContact C-N 3.3Å; R205-T207 PolarHBondContact O-N 2.94Å; T207-D238 VanDerWaalsContact CG2-C 3.5Å; T207-D238 HydrophobicContact CG2-CB 3.75Å; T207-F239 HydrophobicContact CG2-CB 4.16Å; T207-Q242 HydrophobicContact CG2-CB 4.41Å; T207-Q242 HydrophobicContact CG2-CG 3.97Å |
| 208 | D | 93.2 | Very high | 96.1 | Very high | 128 Ų | 128 | 68.2 Ų | 68.2 | 68% | 0.684 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 162.2 | 166.7 | -65.6 | -33.5 | 0 | 0 | 0 | 111.3 | V210 M235 | D208-V210 VanDerWaalsContact C-N 3.25Å; D208-V210 PolarHBondContact O-N 3.06Å; D208-M235 HydrophobicContact CB-CE 4.28Å; D208-M235 WeakPolarHBondContact O-CG 3.35Å |
| 209 | M | 96.1 | Very high | 96.1 | Very high | 73 Ų | 73 | 69 Ų | 69 | 36% | 0.36 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 27.1 | 172.2 | -49.7 | -75.4 | -79 | 0 | 0 | 114.7 | L231 F232 M235 | M209-L231 WeakPolarHBondContact O-CA 3.48Å; M209-L231 WeakPolarHBondContact O-CB 3.2Å; M209-F232 HydrophobicContact CB-CB 3.89Å; M209-F232 HydrophobicContact CB-CD2 3.66Å; M209-F232 HydrophobicContact CB-CE2 4.45Å; M209-F232 HydrophobicContact CB-CG 4Å; M209-F232 HydrophobicContact CE-CB 4.27Å; M209-F232 HydrophobicContact CE-CD1 3.53Å; M209-F232 HydrophobicContact CE-CD2 3.67Å; M209-F232 HydrophobicContact CE-CE1 3.59Å; M209-F232 HydrophobicContact CE-CE2 3.71Å; M209-F232 HydrophobicContact CE-CG 3.55Å; M209-F232 HydrophobicContact CE-CZ 3.67Å; M209-F232 WeakPolarHBondContact O-CD2 3.31Å; M209-F232 PolarHBondContact O-N 2.89Å; M209-F232 HydrophobicContact SD-CD2 4.46Å; M209-M235 HydrophobicContact CB-CG 3.85Å; M209-M235 HydrophobicContact CG-CG 4.09Å |
| 210 | V | 97.5 | Very high | 95.9 | Very high | 16 Ų | 16 | 73 Ų | 73 | 10% | 0.097 | 36% | 0.362 | C | S | . | . | B | Isolated β-bridge | trans | -81.1 | 134.6 | 163.8 | -179.9 | 0 | 0 | 0 | 0 | 108.8 | Y203 D208 P212 V229 L231 F239 | Y203-V210 HydrophobicContact CD2-CG1 4.22Å; Y203-V210 HydrophobicContact CE2-CG1 4.25Å; D208-V210 VanDerWaalsContact C-N 3.25Å; D208-V210 PolarHBondContact O-N 3.06Å; V210-P212 WeakPolarHBondContact O-CD 3.42Å; V210-V229 HydrophobicContact CG1-CG2 3.79Å; V210-L231 HydrophobicContact CG2-CB 4.22Å; V210-F239 HydrophobicContact CG2-CD2 3.94Å; V210-F239 HydrophobicContact CG2-CE2 4.06Å |
| 211 | V | 96.7 | Very high | 95.8 | Very high | 48 Ų | 48 | 69 Ų | 69 | 29% | 0.291 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -74.3 | 119.7 | 176.7 | -179.7 | 0 | 0 | 0 | 0 | 108.4 | L184 S214 T230 | L184-V211 HydrophobicContact CD2-CG2 4.17Å; V211-S214 WeakPolarHBondContact O-CB 3.34Å; V211-S214 PolarHBondContact O-N 3.33Å; V211-S214 PolarHBondContact O-OG 3.3Å; V211-T230 HydrophobicContact CB-CG2 4.33Å; V211-T230 WeakPolarHBondContact CB-O 3.38Å; V211-T230 HydrophobicContact CG2-CG2 3.83Å; V211-T230 PolarHBondContact N-O 3.4Å |
| 212 | P | 95.5 | Very high | 95.7 | Very high | 86 Ų | 86 | 73 Ų | 73 | 56% | 0.558 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 147.6 | 179.9 | -23.5 | 34.6 | 0 | 0 | 0 | 112 | V210 S214 | V210-P212 WeakPolarHBondContact O-CD 3.42Å; P212-S214 PolarHBondContact O-N 3.34Å; P212-S214 VanDerWaalsContact O-N 3.14Å |
| 213 | K | 95 | Very high | 95.6 | Very high | 192 Ų | 192 | 75.5 Ų | 75.5 | 84% | 0.835 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 27.1 | -179.2 | -54 | 179.7 | -179.2 | 178.2 | 0 | 114.2 | Y203 E204 | Y203-K213 WeakPolarHBondContact OH-CA 3.31Å; Y203-K213 PolarHBondContact OH-N 2.73Å; E204-K213 PolarHBondContact OE1-N 3.34Å |
| 214 | S | 95.6 | Very high | 95.6 | Very high | 23 Ų | 23 | 76 Ų | 76 | 16% | 0.161 | 37% | 0.373 | C | S | . | . | trans | -93.5 | 0.3 | -178.8 | 67.5 | 0 | 0 | 0 | 0 | 114.4 | Y203 V211 P212 T230 | Y203-S214 PolarHBondContact OH-N 2.91Å; V211-S214 WeakPolarHBondContact O-CB 3.34Å; V211-S214 PolarHBondContact O-N 3.33Å; V211-S214 PolarHBondContact O-OG 3.3Å; P212-S214 PolarHBondContact O-N 3.34Å; P212-S214 VanDerWaalsContact O-N 3.14Å; S214-T230 PolarHBondContact OG-N 3.37Å; S214-T230 PolarHBondContact OG-O 3.48Å | ||
| 215 | S | 97.5 | Very high | 95.7 | Very high | 29 Ų | 29 | 72.3 Ų | 72.3 | 20% | 0.203 | 36% | 0.356 | C | S | . | . | trans | -92.4 | 131.8 | 180 | -170.1 | 0 | 0 | 0 | 0 | 112.9 | W199 T228 | W199-S215 PolarHBondContact NE1-OG 3.28Å; S215-T228 WeakPolarHBondContact CA-O 3.15Å; S215-T228 WeakPolarHBondContact CB-O 3.42Å; S215-T228 PolarHBondContact OG-O 2.96Å | ||
| 216 | E | 96.6 | Very high | 95.8 | Very high | 98 Ų | 98 | 62.2 Ų | 62.2 | 46% | 0.458 | 32% | 0.318 | S | S | . | . | trans | -132.8 | 141 | 177.2 | -174.2 | -172.6 | 165.3 | 0 | 0 | 110 | W227 T228 | E216-W227 CarbonylContact O-C 3.32Å; E216-W227 VanDerWaalsContact O-CA 3.23Å; E216-W227 WeakPolarHBondContact O-CA 3.35Å; E216-T228 WeakPolarHBondContact CB-OG1 3.5Å; E216-T228 PolarHBondContact N-OG1 3.47Å; E216-T228 VanDerWaalsContact N-OG1 3.07Å; E216-T228 PolarHBondContact O-N 3.5Å; E216-T228 PolarHBondContact O-OG1 3.06Å | ||
| 217 | L | 97.6 | Very high | 96 | Very high | 66 Ų | 66 | 62.1 Ų | 62.1 | 35% | 0.346 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 116.2 | 170.1 | 177.4 | 64.7 | 0 | 0 | 0 | 109.3 | F219 W227 | L217-F219 WeakPolarHBondContact CD1-O 3.48Å; L217-W227 HydrophobicContact CB-CD2 4.04Å; L217-W227 HydrophobicContact CB-CE3 3.87Å; L217-W227 HydrophobicContact CB-CH2 3.67Å; L217-W227 HydrophobicContact CB-CZ2 3.87Å; L217-W227 HydrophobicContact CB-CZ3 3.69Å; L217-W227 HydrophobicContact CD1-CD2 4.08Å; L217-W227 HydrophobicContact CD1-CG 4.36Å; L217-W227 HydrophobicContact CD1-CZ2 3.89Å; L217-W227 HydrophobicContact CD2-CH2 4.41Å; L217-W227 HydrophobicContact CD2-CZ2 4.15Å; L217-W227 HydrophobicContact CG-CH2 4.43Å; L217-W227 HydrophobicContact CG-CZ2 4.19Å |
| 218 | I | 96.1 | Very high | 96.2 | Very high | 26 Ų | 26 | 61.5 Ų | 61.5 | 13% | 0.133 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | -49.2 | -177.9 | -58.2 | 167.8 | 0 | 0 | 0 | 111.3 | I171 V172 V188 L226 T228 | I171-I218 WeakPolarHBondContact O-CG2 3.4Å; V172-I218 HydrophobicContact CG1-CD1 4.23Å; V172-I218 HydrophobicContact CG1-CG2 4.37Å; V188-I218 HydrophobicContact CG1-CD1 4.29Å; I218-L226 HydrophobicContact CB-CD2 4.35Å; I218-L226 WeakPolarHBondContact CB-O 3.5Å; I218-L226 HydrophobicContact CD1-CD2 4.24Å; I218-L226 HydrophobicContact CD1-CG 4.42Å; I218-L226 HydrophobicContact CG2-CD2 4.4Å; I218-L226 PolarHBondContact N-O 3.02Å; I218-T228 HydrophobicContact CD1-CG2 3.24Å; I218-T228 HydrophobicContact CG1-CG2 3.74Å |
| 219 | F | 95.9 | Very high | 96.4 | Very high | 81 Ų | 81 | 55.4 Ų | 55.4 | 36% | 0.355 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 155 | -170.8 | -167.7 | -88.6 | 0 | 0 | 0 | 110.1 | L163 I171 L217 L226 | L163-F219 HydrophobicContact CD1-CD1 4.38Å; L163-F219 HydrophobicContact CD2-CD1 3.89Å; L163-F219 HydrophobicContact CG-CD1 4.48Å; I171-F219 HydrophobicContact CB-CB 4.36Å; I171-F219 HydrophobicContact CB-CD2 3.97Å; I171-F219 HydrophobicContact CB-CG 4.19Å; I171-F219 HydrophobicContact CD1-CB 4.07Å; I171-F219 HydrophobicContact CD1-CD1 4.19Å; I171-F219 HydrophobicContact CD1-CG 4.04Å; I171-F219 HydrophobicContact CG2-CD2 3.81Å; I171-F219 HydrophobicContact CG2-CE2 3.9Å; I171-F219 HydrophobicContact CG2-CG 4.26Å; I171-F219 HydrophobicContact CG2-CZ 4.42Å; L217-F219 WeakPolarHBondContact CD1-O 3.48Å; F219-L226 HydrophobicContact CB-CB 4.27Å; F219-L226 PolarHBondContact O-N 3.2Å |
| 220 | E | 95.1 | Very high | 96.5 | Very high | 84 Ų | 84 | 52.5 Ų | 52.5 | 39% | 0.393 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 129.9 | 178.6 | -178.6 | 172.7 | 115.6 | 0 | 0 | 110.3 | K193 Y196 N224 | K193-E220 HydrophobicContact CD-CG 4.38Å; K193-E220 WeakPolarHBondContact CE-OE1 3.38Å; K193-E220 VanDerWaalsContact NZ-CD 3.29Å; K193-E220 IonicContact NZ-OE1 2.68Å; K193-E220 PolarHBondContact NZ-OE1 3.38Å; Y196-E220 WeakPolarHBondContact CE2-OE2 3.43Å; Y196-E220 PolarHBondContact OH-OE2 3.4Å; E220-N224 WeakPolarHBondContact CA-O 3.32Å |
| 221 | D | 93.8 | Very high | 96.5 | Very high | 34 Ų | 34 | 51.8 Ų | 51.8 | 18% | 0.182 | 26% | 0.262 | C | S | . | . | trans | -96.6 | -159.6 | 170.8 | 73.2 | 23.9 | 0 | 0 | 0 | 111.1 | L163 K193 D223 N224 | L163-D221 WeakPolarHBondContact CB-OD2 3.36Å; L163-D221 HydrophobicContact CD1-CB 4.09Å; L163-D221 HydrophobicContact CG-CB 4.06Å; L163-D221 WeakPolarHBondContact CG-OD2 3.42Å; L163-D221 PolarHBondContact N-OD2 2.72Å; K193-D221 WeakPolarHBondContact CE-O 3.41Å; K193-D221 PolarHBondContact NZ-O 3.03Å; D221-D223 VanDerWaalsContact C-N 3.34Å; D221-D223 PolarHBondContact O-N 3.25Å; D221-D223 PolarHBondContact OD1-N 3.19Å; D221-N224 PolarHBondContact N-O 3.03Å; D221-N224 PolarHBondContact OD1-N 3.07Å | ||
| 222 | Q | 93.8 | Very high | 96.5 | Very high | 164 Ų | 164 | 52.7 Ų | 52.7 | 77% | 0.766 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -65.8 | -35.8 | 180 | -173.1 | 171.3 | -4.3 | 0 | 0 | 112.8 | K193 | K193-Q222 VanDerWaalsContact CE-C 3.49Å; K193-Q222 WeakPolarHBondContact CE-O 3.37Å; K193-Q222 PolarHBondContact NZ-O 2.95Å; K193-Q222 VanDerWaalsContact NZ-O 3.14Å |
| 223 | D | 95.1 | Very high | 96.5 | Very high | 105 Ų | 105 | 53.3 Ų | 53.3 | 56% | 0.561 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -122.5 | -20.6 | -166.1 | -60.4 | -48.9 | 0 | 0 | 0 | 113.6 | K193 D221 | K193-D223 WeakPolarHBondContact CG-O 3.45Å; K193-D223 PolarHBondContact N-O 2.9Å; D221-D223 VanDerWaalsContact C-N 3.34Å; D221-D223 PolarHBondContact O-N 3.25Å; D221-D223 PolarHBondContact OD1-N 3.19Å |
| 224 | N | 97.3 | Very high | 96.6 | Very high | 21 Ų | 21 | 51.4 Ų | 51.4 | 11% | 0.112 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 156.3 | -171.3 | -50.9 | -80.1 | 0 | 0 | 0 | 112.7 | L163 V190 V191 E220 D221 | L163-N224 HydrophobicContact CD1-CB 4.23Å; L163-N224 WeakPolarHBondContact CD1-O 3.31Å; V190-N224 HydrophobicContact CG1-CB 3.57Å; V191-N224 CarbonylContact O-C 3.57Å; V191-N224 WeakPolarHBondContact O-CA 3.32Å; E220-N224 WeakPolarHBondContact CA-O 3.32Å; D221-N224 PolarHBondContact N-O 3.03Å; D221-N224 PolarHBondContact OD1-N 3.07Å |
| 225 | G | 97.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 145.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V190 V191 Y196 | V190-G225 WeakPolarHBondContact CA-O 3.48Å; V191-G225 PolarHBondContact N-O 3.07Å; V191-G225 PolarHBondContact O-N 2.81Å; Y196-G225 WeakPolarHBondContact OH-CA 3.39Å; Y196-G225 PolarHBondContact OH-N 2.97Å; Y196-G225 VanDerWaalsContact OH-N 3.11Å |
| 226 | L | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 111.1 | 174.2 | -166.2 | 74.6 | 0 | 0 | 0 | 109.1 | L163 L168 I171 V172 V188 V190 I218 F219 | L163-L226 HydrophobicContact CD1-CB 4.01Å; L163-L226 HydrophobicContact CD2-CB 4.09Å; L163-L226 HydrophobicContact CD2-CD1 4.33Å; L163-L226 HydrophobicContact CD2-CD2 4.35Å; L168-L226 HydrophobicContact CD1-CD1 4.21Å; L168-L226 HydrophobicContact CD1-CD2 4.38Å; L168-L226 HydrophobicContact CD2-CD1 4.04Å; L168-L226 HydrophobicContact CD2-CD2 3.92Å; I171-L226 HydrophobicContact CD1-CD2 3.73Å; I171-L226 HydrophobicContact CG1-CD2 4.25Å; V172-L226 HydrophobicContact CG1-CD2 4.38Å; V188-L226 HydrophobicContact CG1-CD1 3.29Å; V188-L226 HydrophobicContact CG1-CD2 3.84Å; V188-L226 HydrophobicContact CG1-CG 3.35Å; V190-L226 HydrophobicContact CG2-CD1 3.82Å; I218-L226 HydrophobicContact CB-CD2 4.35Å; I218-L226 WeakPolarHBondContact CB-O 3.5Å; I218-L226 HydrophobicContact CD1-CD2 4.24Å; I218-L226 HydrophobicContact CD1-CG 4.42Å; I218-L226 HydrophobicContact CG2-CD2 4.4Å; I218-L226 PolarHBondContact N-O 3.02Å; F219-L226 HydrophobicContact CB-CB 4.27Å; F219-L226 PolarHBondContact O-N 3.2Å |
| 227 | W | 98.3 | Very high | 96.6 | Very high | 14 Ų | 14 | 51.9 Ų | 51.9 | 5% | 0.053 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 147 | -176.8 | -64.4 | 79.9 | 0 | 0 | 0 | 111.2 | V188 V189 V191 Y196 W199 E216 L217 | V188-W227 CarbonylContact C-O 3.54Å; V188-W227 WeakPolarHBondContact CA-O 3.47Å; V189-W227 PolarHBondContact N-O 3.47Å; V189-W227 PolarHBondContact O-N 3.44Å; V191-W227 HydrophobicContact CG2-CG 4.18Å; Y196-W227 HydrophobicContact CD1-CZ2 4.08Å; Y196-W227 AromaticContact CD1-NE1 3.68Å; Y196-W227 AromaticContact CD2-CZ2 3.96Å; Y196-W227 HydrophobicContact CD2-CZ2 3.96Å; Y196-W227 HydrophobicContact CE1-CZ2 4.27Å; Y196-W227 AromaticContact CE1-NE1 3.41Å; Y196-W227 HydrophobicContact CE2-CZ2 4.16Å; Y196-W227 AromaticContact CG-CZ2 3.92Å; Y196-W227 HydrophobicContact CG-CZ2 3.92Å; Y196-W227 AromaticContact CZ-NE1 3.95Å; W199-W227 AromaticContact CD1-CD2 3.64Å; W199-W227 AromaticContact CD1-CE3 3.76Å; W199-W227 AromaticContact CD1-CG 3.96Å; W199-W227 HydrophobicContact CZ2-CB 4.13Å; W199-W227 AromaticContact NE1-CD2 3.59Å; W199-W227 AromaticContact NE1-CE3 3.56Å; W199-W227 AromaticContact NE1-CG 3.67Å; E216-W227 CarbonylContact O-C 3.32Å; E216-W227 VanDerWaalsContact O-CA 3.23Å; E216-W227 WeakPolarHBondContact O-CA 3.35Å; L217-W227 HydrophobicContact CB-CD2 4.04Å; L217-W227 HydrophobicContact CB-CE3 3.87Å; L217-W227 HydrophobicContact CB-CH2 3.67Å; L217-W227 HydrophobicContact CB-CZ2 3.87Å; L217-W227 HydrophobicContact CB-CZ3 3.69Å; L217-W227 HydrophobicContact CD1-CD2 4.08Å; L217-W227 HydrophobicContact CD1-CG 4.36Å; L217-W227 HydrophobicContact CD1-CZ2 3.89Å; L217-W227 HydrophobicContact CD2-CH2 4.41Å; L217-W227 HydrophobicContact CD2-CZ2 4.15Å; L217-W227 HydrophobicContact CG-CH2 4.43Å; L217-W227 HydrophobicContact CG-CZ2 4.19Å |
| 228 | T | 97.8 | Very high | 96.6 | Very high | 4 Ų | 4 | 52.7 Ų | 52.7 | 3% | 0.025 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 160.1 | 164.2 | 55.5 | 0 | 0 | 0 | 0 | 111.3 | Q176 T186 L187 S215 E216 I218 | Q176-T228 HydrophobicContact CB-CG2 4.23Å; T186-T228 HydrophobicContact CG2-CG2 4.01Å; L187-T228 CarbonylContact O-C 3.52Å; L187-T228 WeakPolarHBondContact O-CA 3.41Å; S215-T228 WeakPolarHBondContact CA-O 3.15Å; S215-T228 WeakPolarHBondContact CB-O 3.42Å; S215-T228 PolarHBondContact OG-O 2.96Å; E216-T228 WeakPolarHBondContact CB-OG1 3.5Å; E216-T228 PolarHBondContact N-OG1 3.47Å; E216-T228 VanDerWaalsContact N-OG1 3.07Å; E216-T228 PolarHBondContact O-N 3.5Å; E216-T228 PolarHBondContact O-OG1 3.06Å; I218-T228 HydrophobicContact CD1-CG2 3.24Å; I218-T228 HydrophobicContact CG1-CG2 3.74Å |
| 229 | V | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 137.2 | 161.7 | 56.4 | 0 | 0 | 0 | 0 | 108.4 | T186 L187 V189 W199 Y203 V210 L231 F239 | T186-V229 CarbonylContact C-O 3.57Å; T186-V229 WeakPolarHBondContact CA-O 3.37Å; L187-V229 HydrophobicContact CB-CG1 3.94Å; L187-V229 PolarHBondContact N-O 2.85Å; L187-V229 PolarHBondContact O-N 2.9Å; V189-V229 HydrophobicContact CG2-CG1 3.9Å; W199-V229 HydrophobicContact CH2-CB 4.15Å; W199-V229 HydrophobicContact CH2-CG1 4.05Å; W199-V229 HydrophobicContact CZ2-CB 4.09Å; W199-V229 HydrophobicContact CZ2-CG1 4.41Å; Y203-V229 HydrophobicContact CD2-CB 4.34Å; Y203-V229 HydrophobicContact CD2-CG2 3.64Å; Y203-V229 HydrophobicContact CE2-CG2 3.98Å; V210-V229 HydrophobicContact CG1-CG2 3.79Å; V229-L231 HydrophobicContact CG1-CD2 4.22Å; V229-L231 HydrophobicContact CG2-CD2 4.43Å; V229-F239 HydrophobicContact CB-CZ 4.4Å; V229-F239 HydrophobicContact CG1-CE1 3.71Å; V229-F239 HydrophobicContact CG1-CZ 3.71Å; V229-F239 HydrophobicContact CG2-CE2 4.3Å; V229-F239 HydrophobicContact CG2-CZ 4.13Å |
| 230 | T | 97.6 | Very high | 96.8 | Very high | 12 Ų | 12 | 51.3 Ų | 51.3 | 7% | 0.074 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 134.1 | 176.2 | -60.8 | 0 | 0 | 0 | 0 | 110.4 | I178 L184 T185 T186 V211 S214 | I178-T230 HydrophobicContact CD1-CG2 3.43Å; I178-T230 VanDerWaalsContact CD1-CG2 3.43Å; I178-T230 HydrophobicContact CG1-CG2 4.15Å; L184-T230 HydrophobicContact CB-CG2 4.37Å; T185-T230 WeakPolarHBondContact O-CA 3.39Å; T186-T230 PolarHBondContact OG1-OG1 3.35Å; T186-T230 VanDerWaalsContact OG1-OG1 3.09Å; V211-T230 HydrophobicContact CB-CG2 4.33Å; V211-T230 WeakPolarHBondContact CB-O 3.38Å; V211-T230 HydrophobicContact CG2-CG2 3.83Å; V211-T230 PolarHBondContact N-O 3.4Å; S214-T230 PolarHBondContact OG-N 3.37Å; S214-T230 PolarHBondContact OG-O 3.48Å |
| 231 | L | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 171.7 | 178 | 62.5 | 155.4 | 0 | 0 | 0 | 111 | L184 T185 L187 M209 V210 V229 M235 F239 | L184-L231 WeakPolarHBondContact CA-O 3.37Å; T185-L231 PolarHBondContact N-O 2.97Å; T185-L231 PolarHBondContact O-N 3.46Å; L187-L231 HydrophobicContact CB-CD2 4.45Å; L187-L231 HydrophobicContact CD1-CD1 4.49Å; L187-L231 HydrophobicContact CD1-CD2 3.63Å; L187-L231 HydrophobicContact CG-CD2 3.73Å; M209-L231 WeakPolarHBondContact O-CA 3.48Å; M209-L231 WeakPolarHBondContact O-CB 3.2Å; V210-L231 HydrophobicContact CG2-CB 4.22Å; V229-L231 HydrophobicContact CG1-CD2 4.22Å; V229-L231 HydrophobicContact CG2-CD2 4.43Å; L231-M235 HydrophobicContact CD1-CB 4.13Å; L231-F239 HydrophobicContact CD1-CB 3.58Å; L231-F239 HydrophobicContact CD1-CD2 4.17Å; L231-F239 HydrophobicContact CD1-CG 3.9Å |
| 232 | F | 97.7 | Very high | 97.1 | Very high | 68 Ų | 68 | 53 Ų | 53 | 30% | 0.298 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 134.1 | 172.6 | -75.3 | -110.3 | 0 | 0 | 0 | 110.8 | Y183 L184 M209 K234 M235 | Y183-F232 CarbonylContact O-C 3.43Å; Y183-F232 VanDerWaalsContact O-CA 3.28Å; Y183-F232 WeakPolarHBondContact O-CA 3.49Å; L184-F232 HydrophobicContact CD2-CD1 4.24Å; L184-F232 HydrophobicContact CD2-CD2 3.63Å; L184-F232 HydrophobicContact CD2-CE1 4.33Å; L184-F232 HydrophobicContact CD2-CE2 3.76Å; L184-F232 HydrophobicContact CD2-CG 3.92Å; L184-F232 HydrophobicContact CD2-CZ 4.11Å; M209-F232 HydrophobicContact CB-CB 3.89Å; M209-F232 HydrophobicContact CB-CD2 3.66Å; M209-F232 HydrophobicContact CB-CE2 4.45Å; M209-F232 HydrophobicContact CB-CG 4Å; M209-F232 HydrophobicContact CE-CB 4.27Å; M209-F232 HydrophobicContact CE-CD1 3.53Å; M209-F232 HydrophobicContact CE-CD2 3.67Å; M209-F232 HydrophobicContact CE-CE1 3.59Å; M209-F232 HydrophobicContact CE-CE2 3.71Å; M209-F232 HydrophobicContact CE-CG 3.55Å; M209-F232 HydrophobicContact CE-CZ 3.67Å; M209-F232 WeakPolarHBondContact O-CD2 3.31Å; M209-F232 PolarHBondContact O-N 2.89Å; M209-F232 HydrophobicContact SD-CD2 4.46Å; F232-K234 HydrophobicContact CB-CG 4.3Å; F232-K234 PolarHBondContact O-N 3.48Å; F232-M235 PolarHBondContact O-N 2.88Å |
| 233 | K | 95.7 | Very high | 97.2 | Very high | 99 Ų | 99 | 45.2 Ų | 45.2 | 43% | 0.43 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -49 | -40.4 | -177.7 | -73.5 | -175.7 | -170.7 | 174.3 | 0 | 113.3 | S181 E182 Y183 L184 T185 M235 T236 | S181-K233 WeakPolarHBondContact O-CE 3.47Å; S181-K233 PolarHBondContact O-NZ 3.17Å; E182-K233 WeakPolarHBondContact O-CD 3.32Å; E182-K233 PolarHBondContact O-NZ 3.37Å; Y183-K233 PolarHBondContact O-N 2.88Å; L184-K233 WeakPolarHBondContact O-CE 3.46Å; T185-K233 HydrophobicContact CG2-CG 3.92Å; K233-M235 PolarHBondContact O-N 3.17Å; K233-M235 VanDerWaalsContact O-N 3.13Å; K233-T236 VanDerWaalsContact O-CB 3.23Å; K233-T236 WeakPolarHBondContact O-CB 3.29Å; K233-T236 PolarHBondContact O-N 3.33Å; K233-T236 PolarHBondContact O-OG1 3.03Å |
| 234 | K | 96.4 | Very high | 97.3 | Very high | 151 Ų | 151 | 49.6 Ų | 49.6 | 66% | 0.657 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -58.6 | -23.8 | 179.6 | 72.2 | 175.5 | -173.4 | 171.5 | 0 | 114.4 | F232 | F232-K234 HydrophobicContact CB-CG 4.3Å; F232-K234 PolarHBondContact O-N 3.48Å |
| 235 | M | 97.2 | Very high | 97.2 | Very high | 28 Ų | 28 | 55.2 Ų | 55.2 | 14% | 0.138 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -99.1 | 8.7 | 179.9 | -60.6 | -55.2 | -63.5 | 0 | 0 | 112.7 | D208 M209 L231 F232 K233 D237 D238 F239 | D208-M235 HydrophobicContact CB-CE 4.28Å; D208-M235 WeakPolarHBondContact O-CG 3.35Å; M209-M235 HydrophobicContact CB-CG 3.85Å; M209-M235 HydrophobicContact CG-CG 4.09Å; L231-M235 HydrophobicContact CD1-CB 4.13Å; F232-M235 PolarHBondContact O-N 2.88Å; K233-M235 PolarHBondContact O-N 3.17Å; K233-M235 VanDerWaalsContact O-N 3.13Å; M235-D237 PolarHBondContact O-N 2.88Å; M235-D238 HydrophobicContact CE-CB 3.99Å; M235-D238 WeakPolarHBondContact CE-OD2 3.48Å; M235-D238 PolarHBondContact O-N 3.43Å; M235-F239 VanDerWaalsContact O-CB 3.31Å; M235-F239 WeakPolarHBondContact O-CB 3.33Å; M235-F239 PolarHBondContact O-N 2.89Å |
| 236 | T | 96.1 | Very high | 97.1 | Very high | 22 Ų | 22 | 58.6 Ų | 58.6 | 14% | 0.135 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.9 | -44.3 | -174.2 | -61.6 | 0 | 0 | 0 | 0 | 112.6 | L187 K233 F239 K240 | L187-T236 HydrophobicContact CD1-CG2 4.14Å; L187-T236 HydrophobicContact CD2-CG2 3.97Å; K233-T236 VanDerWaalsContact O-CB 3.23Å; K233-T236 WeakPolarHBondContact O-CB 3.29Å; K233-T236 PolarHBondContact O-N 3.33Å; K233-T236 PolarHBondContact O-OG1 3.03Å; T236-F239 PolarHBondContact O-N 3.47Å; T236-K240 HydrophobicContact CG2-CD 4.3Å; T236-K240 VanDerWaalsContact O-CG 3.31Å; T236-K240 WeakPolarHBondContact O-CG 3.25Å; T236-K240 PolarHBondContact O-N 3.16Å |
| 237 | D | 96.6 | Very high | 97 | Very high | 111 Ų | 111 | 68.7 Ų | 68.7 | 59% | 0.594 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -74.6 | -36 | -177.2 | -66.7 | -31.2 | 0 | 0 | 0 | 112.1 | M235 F239 K240 T241 | M235-D237 PolarHBondContact O-N 2.88Å; D237-F239 VanDerWaalsContact C-N 3.32Å; D237-F239 PolarHBondContact O-N 2.88Å; D237-K240 PolarHBondContact O-N 3.36Å; D237-T241 PolarHBondContact O-N 2.91Å; D237-T241 PolarHBondContact O-OG1 3.35Å |
| 238 | D | 97.4 | Very high | 97 | Very high | 83 Ų | 83 | 68.3 Ų | 68.3 | 44% | 0.444 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 171.5 | -65.7 | -18.3 | 0 | 0 | 0 | 110.3 | T207 M235 T241 Q242 | T207-D238 VanDerWaalsContact CG2-C 3.5Å; T207-D238 HydrophobicContact CG2-CB 3.75Å; M235-D238 HydrophobicContact CE-CB 3.99Å; M235-D238 WeakPolarHBondContact CE-OD2 3.48Å; M235-D238 PolarHBondContact O-N 3.43Å; D238-T241 WeakPolarHBondContact O-CB 3.49Å; D238-T241 PolarHBondContact O-N 3.18Å; D238-Q242 WeakPolarHBondContact O-CG 3.42Å; D238-Q242 PolarHBondContact O-N 2.65Å |
| 239 | F | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 178.8 | -172.2 | -86.3 | 0 | 0 | 0 | 111.3 | L187 V189 W199 M206 T207 V210 V229 L231 M235 T236 D237 T241 Q242 A243 V250 | L187-F239 HydrophobicContact CD1-CD1 3.76Å; L187-F239 HydrophobicContact CD1-CE1 4.42Å; L187-F239 HydrophobicContact CD1-CG 4.43Å; V189-F239 HydrophobicContact CG2-CE1 4.17Å; W199-F239 HydrophobicContact CH2-CE1 4.28Å; W199-F239 AromaticContact CH2-CZ 3.78Å; W199-F239 HydrophobicContact CH2-CZ 3.78Å; W199-F239 HydrophobicContact CZ3-CZ 4.03Å; M206-F239 HydrophobicContact CB-CD2 4.16Å; M206-F239 HydrophobicContact CB-CE2 3.99Å; M206-F239 HydrophobicContact SD-CE2 3.9Å; M206-F239 HydrophobicContact SD-CZ 3.86Å; T207-F239 HydrophobicContact CG2-CB 4.16Å; V210-F239 HydrophobicContact CG2-CD2 3.94Å; V210-F239 HydrophobicContact CG2-CE2 4.06Å; V229-F239 HydrophobicContact CB-CZ 4.4Å; V229-F239 HydrophobicContact CG1-CE1 3.71Å; V229-F239 HydrophobicContact CG1-CZ 3.71Å; V229-F239 HydrophobicContact CG2-CE2 4.3Å; V229-F239 HydrophobicContact CG2-CZ 4.13Å; L231-F239 HydrophobicContact CD1-CB 3.58Å; L231-F239 HydrophobicContact CD1-CD2 4.17Å; L231-F239 HydrophobicContact CD1-CG 3.9Å; M235-F239 VanDerWaalsContact O-CB 3.31Å; M235-F239 WeakPolarHBondContact O-CB 3.33Å; M235-F239 PolarHBondContact O-N 2.89Å; T236-F239 PolarHBondContact O-N 3.47Å; D237-F239 VanDerWaalsContact C-N 3.32Å; D237-F239 PolarHBondContact O-N 2.88Å; F239-T241 VanDerWaalsContact C-N 3.28Å; F239-T241 PolarHBondContact O-N 3.26Å; F239-Q242 PolarHBondContact O-N 3.31Å; F239-A243 HydrophobicContact CE1-CB 4.3Å; F239-A243 WeakPolarHBondContact O-CB 3.22Å; F239-A243 PolarHBondContact O-N 2.95Å; F239-V250 HydrophobicContact CD1-CG2 4.34Å; F239-V250 HydrophobicContact CE1-CG2 4.37Å |
| 240 | K | 97.6 | Very high | 96.9 | Very high | 77 Ų | 77 | 72.5 Ų | 72.5 | 34% | 0.335 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.7 | -39.8 | 173.5 | -75.9 | 173.5 | 179.6 | 176.4 | 0 | 112.1 | T236 D237 R244 V250 | T236-K240 HydrophobicContact CG2-CD 4.3Å; T236-K240 VanDerWaalsContact O-CG 3.31Å; T236-K240 WeakPolarHBondContact O-CG 3.25Å; T236-K240 PolarHBondContact O-N 3.16Å; D237-K240 PolarHBondContact O-N 3.36Å; K240-R244 WeakPolarHBondContact O-CB 3.4Å; K240-R244 PolarHBondContact O-N 3.46Å; K240-R244 VanDerWaalsContact O-N 3.12Å; K240-V250 HydrophobicContact CG-CB 3.96Å; K240-V250 HydrophobicContact CG-CG1 3.94Å; K240-V250 HydrophobicContact CG-CG2 4.08Å |
| 241 | T | 97.4 | Very high | 96.9 | Very high | 77 Ų | 77 | 73.7 Ų | 73.7 | 47% | 0.472 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.6 | -48.6 | 178.2 | -57.6 | 0 | 0 | 0 | 0 | 110.8 | D237 D238 F239 R244 E245 | D237-T241 PolarHBondContact O-N 2.91Å; D237-T241 PolarHBondContact O-OG1 3.35Å; D238-T241 WeakPolarHBondContact O-CB 3.49Å; D238-T241 PolarHBondContact O-N 3.18Å; F239-T241 VanDerWaalsContact C-N 3.28Å; F239-T241 PolarHBondContact O-N 3.26Å; T241-R244 WeakPolarHBondContact O-CB 3.42Å; T241-R244 PolarHBondContact O-N 2.98Å; T241-E245 PolarHBondContact O-N 3.27Å |
| 242 | Q | 97.4 | Very high | 96.7 | Very high | 77 Ų | 77 | 80.7 Ų | 80.7 | 36% | 0.36 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.7 | -43.2 | 179.2 | -67.7 | -67.7 | -28.7 | 0 | 0 | 112.1 | M206 T207 D238 F239 R244 E245 F246 | M206-Q242 HydrophobicContact CB-CB 3.93Å; M206-Q242 HydrophobicContact CG-CB 4.42Å; M206-Q242 WeakPolarHBondContact O-CG 2.78Å; T207-Q242 HydrophobicContact CG2-CB 4.41Å; T207-Q242 HydrophobicContact CG2-CG 3.97Å; D238-Q242 WeakPolarHBondContact O-CG 3.42Å; D238-Q242 PolarHBondContact O-N 2.65Å; F239-Q242 PolarHBondContact O-N 3.31Å; Q242-R244 PolarHBondContact O-N 3.11Å; Q242-E245 WeakPolarHBondContact O-CB 3.17Å; Q242-E245 PolarHBondContact O-N 3.06Å; Q242-F246 WeakPolarHBondContact O-CD2 3.4Å; Q242-F246 PolarHBondContact O-N 2.84Å |
| 243 | A | 97.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 79.3 Ų | 79.3 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -55.8 | -40.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F239 E245 F246 R247 F248 V250 | F239-A243 HydrophobicContact CE1-CB 4.3Å; F239-A243 WeakPolarHBondContact O-CB 3.22Å; F239-A243 PolarHBondContact O-N 2.95Å; A243-E245 PolarHBondContact O-N 3.12Å; A243-F246 CarbonylContact O-C 3.5Å; A243-F246 PolarHBondContact O-N 3.42Å; A243-R247 PolarHBondContact O-N 3.45Å; A243-F248 CarbonylContact C-O 3.55Å; A243-F248 HydrophobicContact CB-CB 4.24Å; A243-F248 WeakPolarHBondContact O-CA 3.36Å; A243-F248 WeakPolarHBondContact O-CB 3.49Å; A243-F248 PolarHBondContact O-N 3.18Å; A243-V250 HydrophobicContact CB-CG2 3.61Å |
| 244 | R | 95.8 | Very high | 96.3 | Very high | 197 Ų | 197 | 80.1 Ų | 80.1 | 74% | 0.743 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63.4 | -39.1 | 176 | 179.5 | -178.6 | -79.7 | -174.6 | -3.6 | 112.6 | K240 T241 Q242 F246 R247 | K240-R244 WeakPolarHBondContact O-CB 3.4Å; K240-R244 PolarHBondContact O-N 3.46Å; K240-R244 VanDerWaalsContact O-N 3.12Å; T241-R244 WeakPolarHBondContact O-CB 3.42Å; T241-R244 PolarHBondContact O-N 2.98Å; Q242-R244 PolarHBondContact O-N 3.11Å; R244-F246 VanDerWaalsContact C-N 3.26Å; R244-F246 PolarHBondContact O-N 2.92Å; R244-R247 WeakPolarHBondContact O-CA 3.16Å; R244-R247 PolarHBondContact O-N 3.33Å |
| 245 | E | 95.8 | Very high | 96.2 | Very high | 140 Ų | 140 | 74 Ų | 74 | 65% | 0.654 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -62 | -35.4 | 175.2 | -65.3 | -58.1 | 139.8 | 0 | 0 | 111.8 | T241 Q242 A243 R247 | T241-E245 PolarHBondContact O-N 3.27Å; Q242-E245 WeakPolarHBondContact O-CB 3.17Å; Q242-E245 PolarHBondContact O-N 3.06Å; A243-E245 PolarHBondContact O-N 3.12Å; E245-R247 PolarHBondContact O-N 3.35Å |
| 246 | F | 95.6 | Very high | 95.9 | Very high | 71 Ų | 71 | 75 Ų | 75 | 31% | 0.311 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | 3.8 | 171.7 | -77.6 | -93.1 | 0 | 0 | 0 | 114.1 | N202 M206 Q242 A243 R244 F248 | N202-F246 HydrophobicContact CB-CE1 4.05Å; N202-F246 HydrophobicContact CB-CZ 4.15Å; M206-F246 HydrophobicContact CE-CB 4.28Å; M206-F246 HydrophobicContact CE-CD1 4.48Å; M206-F246 HydrophobicContact CE-CD2 3.92Å; M206-F246 HydrophobicContact CE-CE2 4.38Å; M206-F246 HydrophobicContact CE-CG 3.98Å; M206-F246 HydrophobicContact CG-CE2 4.37Å; Q242-F246 WeakPolarHBondContact O-CD2 3.4Å; Q242-F246 PolarHBondContact O-N 2.84Å; A243-F246 CarbonylContact O-C 3.5Å; A243-F246 PolarHBondContact O-N 3.42Å; R244-F246 VanDerWaalsContact C-N 3.26Å; R244-F246 PolarHBondContact O-N 2.92Å; F246-F248 HydrophobicContact CB-CD1 4.47Å; F246-F248 HydrophobicContact CB-CD2 3.5Å; F246-F248 VanDerWaalsContact CB-CD2 3.5Å; F246-F248 HydrophobicContact CB-CE1 4.37Å; F246-F248 HydrophobicContact CB-CE2 3.42Å; F246-F248 VanDerWaalsContact CB-CE2 3.42Å; F246-F248 HydrophobicContact CB-CG 4.05Å; F246-F248 HydrophobicContact CB-CZ 3.89Å; F246-F248 HydrophobicContact CD1-CE2 4.15Å; F246-F248 HydrophobicContact CD1-CZ 4.39Å; F246-F248 HydrophobicContact CG-CD2 4.39Å; F246-F248 AromaticContact CG-CE2 3.98Å; F246-F248 HydrophobicContact CG-CE2 3.98Å; F246-F248 WeakPolarHBondContact O-CD1 3.39Å; F246-F248 WeakPolarHBondContact O-CE1 3.45Å; F246-F248 PolarHBondContact O-N 3.05Å |
| 247 | R | 95.3 | Very high | 95.7 | Very high | 212 Ų | 212 | 77.6 Ų | 77.6 | 80% | 0.8 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | 23 | -174.5 | -50.8 | 178 | 177.7 | -176.3 | -1.4 | 113.9 | A243 R244 E245 | A243-R247 PolarHBondContact O-N 3.45Å; R244-R247 WeakPolarHBondContact O-CA 3.16Å; R244-R247 PolarHBondContact O-N 3.33Å; E245-R247 PolarHBondContact O-N 3.35Å |
| 248 | F | 98 | Very high | 95.5 | Very high | 5 Ų | 5 | 79.1 Ų | 79.1 | 2% | 0.022 | 37% | 0.373 | C | S | . | . | trans | -87.7 | 144.5 | 170.3 | -51.9 | -32.3 | 0 | 0 | 0 | 109.6 | V189 V191 M195 D198 W199 M206 A243 F246 | V189-F248 HydrophobicContact CG1-CB 3.78Å; V191-F248 HydrophobicContact CB-CD1 4.4Å; V191-F248 HydrophobicContact CG1-CD1 3.93Å; V191-F248 HydrophobicContact CG1-CE1 3.75Å; V191-F248 HydrophobicContact CG1-CZ 4.36Å; V191-F248 HydrophobicContact CG2-CD1 4.28Å; V191-F248 HydrophobicContact CG2-CG 4.34Å; M195-F248 HydrophobicContact CB-CE1 3.73Å; M195-F248 HydrophobicContact CB-CZ 4.32Å; M195-F248 HydrophobicContact CG-CE1 4.41Å; D198-F248 HydrophobicContact CB-CZ 4.36Å; W199-F248 HydrophobicContact CB-CE2 4.29Å; W199-F248 HydrophobicContact CB-CZ 4.18Å; W199-F248 AromaticContact CE3-CD2 3.57Å; W199-F248 HydrophobicContact CE3-CD2 3.57Å; W199-F248 AromaticContact CE3-CE2 3.71Å; W199-F248 HydrophobicContact CE3-CE2 3.71Å; W199-F248 HydrophobicContact CE3-CG 4.33Å; W199-F248 HydrophobicContact CZ3-CD2 4Å; M206-F248 HydrophobicContact CE-CD2 3.54Å; M206-F248 HydrophobicContact CE-CE2 3.43Å; M206-F248 VanDerWaalsContact CE-CE2 3.43Å; A243-F248 CarbonylContact C-O 3.55Å; A243-F248 HydrophobicContact CB-CB 4.24Å; A243-F248 WeakPolarHBondContact O-CA 3.36Å; A243-F248 WeakPolarHBondContact O-CB 3.49Å; A243-F248 PolarHBondContact O-N 3.18Å; F246-F248 HydrophobicContact CB-CD1 4.47Å; F246-F248 HydrophobicContact CB-CD2 3.5Å; F246-F248 VanDerWaalsContact CB-CD2 3.5Å; F246-F248 HydrophobicContact CB-CE1 4.37Å; F246-F248 HydrophobicContact CB-CE2 3.42Å; F246-F248 VanDerWaalsContact CB-CE2 3.42Å; F246-F248 HydrophobicContact CB-CG 4.05Å; F246-F248 HydrophobicContact CB-CZ 3.89Å; F246-F248 HydrophobicContact CD1-CE2 4.15Å; F246-F248 HydrophobicContact CD1-CZ 4.39Å; F246-F248 HydrophobicContact CG-CD2 4.39Å; F246-F248 AromaticContact CG-CE2 3.98Å; F246-F248 HydrophobicContact CG-CE2 3.98Å; F246-F248 WeakPolarHBondContact O-CD1 3.39Å; F246-F248 WeakPolarHBondContact O-CE1 3.45Å; F246-F248 PolarHBondContact O-N 3.05Å | ||
| 249 | V | 97.5 | Very high | 95.2 | Very high | 65 Ų | 65 | 81.6 Ų | 81.6 | 39% | 0.394 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 106.3 | -176.9 | -179.9 | 0 | 0 | 0 | 0 | 109.1 | L164 V190 R251 | L164-V249 HydrophobicContact CD2-CB 3.79Å; L164-V249 HydrophobicContact CD2-CG1 4.01Å; L164-V249 HydrophobicContact CD2-CG2 3.78Å; V190-V249 HydrophobicContact CB-CB 4.3Å; V190-V249 PolarHBondContact N-O 3.31Å; V190-V249 PolarHBondContact O-N 3.48Å; V249-R251 PolarHBondContact O-N 3.29Å |
| 250 | V | 97.7 | Very high | 94.9 | Very high | 27 Ų | 27 | 82.4 Ų | 82.4 | 16% | 0.164 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 119.3 | 170.4 | -174 | 0 | 0 | 0 | 0 | 108.6 | L187 V189 F239 K240 A243 | L187-V250 HydrophobicContact CB-CG1 4.15Å; L187-V250 HydrophobicContact CD1-CG1 4.06Å; V189-V250 HydrophobicContact CG1-CG2 4.46Å; V189-V250 HydrophobicContact CG2-CG2 4.14Å; F239-V250 HydrophobicContact CD1-CG2 4.34Å; F239-V250 HydrophobicContact CE1-CG2 4.37Å; K240-V250 HydrophobicContact CG-CB 3.96Å; K240-V250 HydrophobicContact CG-CG1 3.94Å; K240-V250 HydrophobicContact CG-CG2 4.08Å; A243-V250 HydrophobicContact CB-CG2 3.61Å |
| 251 | R | 96.6 | Very high | 94.7 | Very high | 38 Ų | 38 | 82 Ų | 82 | 14% | 0.143 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 135.5 | 176.5 | -70.2 | -67.5 | -52.4 | -103 | 0.1 | 109.6 | L163 L164 R166 L168 V188 V190 V249 F253 | L163-R251 PolarHBondContact O-NH1 3.18Å; L164-R251 PolarHBondContact O-NE 2.89Å; L164-R251 PolarHBondContact O-NH1 2.89Å; R166-R251 VanDerWaalsContact O-CZ 3.25Å; R166-R251 PolarHBondContact O-NH1 2.87Å; R166-R251 PolarHBondContact O-NH2 2.97Å; L168-R251 HydrophobicContact CD1-CB 4.01Å; L168-R251 HydrophobicContact CD1-CG 4.11Å; V188-R251 HydrophobicContact CB-CB 4.46Å; V188-R251 PolarHBondContact O-N 3.41Å; V190-R251 HydrophobicContact CG2-CG 3.67Å; V249-R251 PolarHBondContact O-N 3.29Å; R251-F253 VanDerWaalsContact C-N 3.28Å; R251-F253 HydrophobicContact CB-CB 4.41Å; R251-F253 PolarHBondContact O-N 3.26Å |
| 252 | D | 93.1 | Very high | 94.4 | Very high | 147 Ų | 147 | 83.3 Ų | 83.3 | 79% | 0.786 | 38% | 0.384 | S | S | * | . | trans | -74.4 | 86.9 | 167.8 | -168.9 | 15.6 | 0 | 0 | 0 | 108.9 | ||||
| 253 | F | 94.2 | Very high | 94 | Very high | 38 Ų | 38 | 80.6 Ų | 80.6 | 17% | 0.167 | 37% | 0.374 | C | S | . | . | trans | -141.4 | 130.6 | -176.1 | 179.4 | -97.4 | 0 | 0 | 0 | 109.7 | L168 V172 F177 V188 R251 Y255 I260 | L168-F253 HydrophobicContact CB-CD2 3.98Å; L168-F253 HydrophobicContact CB-CE2 3.95Å; L168-F253 HydrophobicContact CB-CG 4.43Å; L168-F253 HydrophobicContact CB-CZ 4.38Å; L168-F253 HydrophobicContact CD1-CB 3.95Å; L168-F253 HydrophobicContact CD1-CD1 4.41Å; L168-F253 HydrophobicContact CD1-CD2 4.15Å; L168-F253 HydrophobicContact CD1-CG 3.9Å; L168-F253 HydrophobicContact CG-CD2 4.38Å; V172-F253 HydrophobicContact CG1-CE1 4.47Å; V172-F253 HydrophobicContact CG2-CE1 4.11Å; V172-F253 HydrophobicContact CG2-CZ 3.75Å; F177-F253 AromaticContact CE1-CD1 3.87Å; F177-F253 HydrophobicContact CE1-CD1 3.87Å; F177-F253 AromaticContact CE1-CE1 3.72Å; F177-F253 HydrophobicContact CE1-CE1 3.72Å; F177-F253 HydrophobicContact CE2-CE1 4.46Å; F177-F253 HydrophobicContact CZ-CD1 4.07Å; F177-F253 AromaticContact CZ-CE1 3.66Å; F177-F253 HydrophobicContact CZ-CE1 3.66Å; V188-F253 HydrophobicContact CG2-CD1 3.73Å; V188-F253 HydrophobicContact CG2-CE1 4.47Å; V188-F253 HydrophobicContact CG2-CG 4.48Å; R251-F253 VanDerWaalsContact C-N 3.28Å; R251-F253 HydrophobicContact CB-CB 4.41Å; R251-F253 PolarHBondContact O-N 3.26Å; F253-Y255 HydrophobicContact CE1-CD2 4.34Å; F253-Y255 HydrophobicContact CZ-CD2 4.44Å; F253-I260 HydrophobicContact CZ-CD1 4.35Å | ||
| 254 | T | 91.3 | Very high | 93.6 | Very high | 117 Ų | 117 | 86.4 Ų | 86.4 | 72% | 0.718 | 40% | 0.396 | S | S | * | . | trans | -122.5 | 126.2 | 170.7 | -59.9 | 0 | 0 | 0 | 0 | 107.6 | D256 | T254-D256 PolarHBondContact O-N 3.12Š| ||
| 255 | Y | 93.4 | Very high | 93.5 | Very high | 22 Ų | 22 | 81.1 Ų | 81.1 | 9% | 0.086 | 38% | 0.382 | C | S | . | . | trans | -65.2 | 123 | 177.9 | -170.5 | -87.1 | 0 | 0 | 0 | 110.3 | V172 R174 F177 V179 F253 E257 I260 | V172-Y255 HydrophobicContact CG2-CD2 3.94Å; V172-Y255 HydrophobicContact CG2-CE2 3.9Å; R174-Y255 WeakPolarHBondContact CA-OH 3.41Å; R174-Y255 HydrophobicContact CB-CE1 3.95Å; R174-Y255 WeakPolarHBondContact CB-OH 3.42Å; R174-Y255 HydrophobicContact CG-CE1 3.91Å; R174-Y255 PolarHBondContact N-OH 2.7Å; F177-Y255 HydrophobicContact CB-CD2 4.47Å; F177-Y255 HydrophobicContact CB-CG 4.06Å; F177-Y255 HydrophobicContact CD1-CG 4.38Å; F177-Y255 AromaticContact CD2-CD2 3.49Å; F177-Y255 HydrophobicContact CD2-CD2 3.49Å; F177-Y255 VanDerWaalsContact CD2-CD2 3.49Å; F177-Y255 HydrophobicContact CD2-CE2 4.22Å; F177-Y255 AromaticContact CD2-CG 3.92Å; F177-Y255 HydrophobicContact CD2-CG 3.92Å; F177-Y255 AromaticContact CE2-CD2 3.85Å; F177-Y255 HydrophobicContact CE2-CD2 3.85Å; F177-Y255 AromaticContact CG-CD2 3.9Å; F177-Y255 HydrophobicContact CG-CD2 3.9Å; F177-Y255 AromaticContact CG-CG 3.84Å; F177-Y255 HydrophobicContact CG-CG 3.84Å; F177-Y255 HydrophobicContact CZ-CD2 4.44Å; V179-Y255 HydrophobicContact CG2-CD1 3.91Å; F253-Y255 HydrophobicContact CE1-CD2 4.34Å; F253-Y255 HydrophobicContact CZ-CD2 4.44Å; Y255-E257 HydrophobicContact CE1-CB 4.06Å; Y255-E257 WeakPolarHBondContact CE1-OE2 3.45Å; Y255-E257 VanDerWaalsContact CZ-OE2 3.31Å; Y255-E257 PolarHBondContact OH-OE2 2.79Å; Y255-I260 HydrophobicContact CD2-CD1 3.92Å; Y255-I260 HydrophobicContact CE2-CD1 3.63Å | ||
| 256 | D | 92.6 | Very high | 93.3 | Very high | 48 Ų | 48 | 79.4 Ų | 79.4 | 26% | 0.257 | 37% | 0.374 | S | S | . | . | trans | -140.9 | 97.8 | 178 | -174.9 | -29.1 | 0 | 0 | 0 | 107.7 | T254 K258 K259 I260 | T254-D256 PolarHBondContact O-N 3.12Å; D256-K258 PolarHBondContact O-N 3.49Å; D256-K258 WeakPolarHBondContact OD1-CB 3.17Å; D256-K258 PolarHBondContact OD1-N 3.21Å; D256-K258 VanDerWaalsContact OD1-N 3.15Å; D256-K259 HydrophobicContact CB-CB 4.06Å; D256-K259 HydrophobicContact CB-CD 4.09Å; D256-K259 HydrophobicContact CB-CG 4.19Å; D256-K259 PolarHBondContact O-N 2.76Å; D256-K259 VanDerWaalsContact O-N 3.17Å; D256-K259 PolarHBondContact OD1-N 3.35Å; D256-K259 VanDerWaalsContact OD1-N 3.14Å; D256-K259 VanDerWaalsContact OD2-CD 3.29Å; D256-K259 WeakPolarHBondContact OD2-CD 3.45Å; D256-K259 WeakPolarHBondContact OD2-CE 3.34Å; D256-K259 WeakPolarHBondContact OD2-CG 3.34Å; D256-K259 IonicContact OD2-NZ 2.75Å; D256-K259 PolarHBondContact OD2-NZ 2.97Å; D256-I260 WeakPolarHBondContact O-CG1 3.45Å; D256-I260 PolarHBondContact O-N 2.58Å | ||
| 257 | E | 91.8 | Very high | 93.1 | Very high | 78 Ų | 78 | 77.1 Ų | 77.1 | 36% | 0.364 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -51.3 | -41.3 | -178.1 | -171.2 | 71.6 | -135.7 | 0 | 0 | 111.6 | Y255 I260 E261 | Y255-E257 HydrophobicContact CE1-CB 4.06Å; Y255-E257 WeakPolarHBondContact CE1-OE2 3.45Å; Y255-E257 VanDerWaalsContact CZ-OE2 3.31Å; Y255-E257 PolarHBondContact OH-OE2 2.79Å; E257-I260 PolarHBondContact O-N 2.68Å; E257-E261 VanDerWaalsContact O-CB 3.28Å; E257-E261 WeakPolarHBondContact O-CB 3.21Å; E257-E261 PolarHBondContact O-N 2.89Å |
| 258 | K | 92.6 | Very high | 93 | Very high | 143 Ų | 143 | 70.3 Ų | 70.3 | 62% | 0.622 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -67.6 | -45.5 | -176.5 | -172.4 | -177.6 | 176.6 | -168.6 | 0 | 110.8 | D256 E261 E262 | D256-K258 PolarHBondContact O-N 3.49Å; D256-K258 WeakPolarHBondContact OD1-CB 3.17Å; D256-K258 PolarHBondContact OD1-N 3.21Å; D256-K258 VanDerWaalsContact OD1-N 3.15Å; K258-E261 PolarHBondContact O-N 2.77Å; K258-E262 WeakPolarHBondContact CE-OE1 3.46Å; K258-E262 IonicContact NZ-OE1 3.98Å; K258-E262 WeakPolarHBondContact O-CB 3.23Å; K258-E262 VanDerWaalsContact O-CG 3.25Å; K258-E262 WeakPolarHBondContact O-CG 3.48Å; K258-E262 PolarHBondContact O-N 3.39Å |
| 259 | K | 91 | Very high | 92.8 | Very high | 135 Ų | 135 | 76.6 Ų | 76.6 | 59% | 0.587 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -65.8 | -39.6 | 177.5 | -72.3 | -178.6 | -172.4 | 124.7 | 0 | 112.6 | D256 E262 S263 | D256-K259 HydrophobicContact CB-CB 4.06Å; D256-K259 HydrophobicContact CB-CD 4.09Å; D256-K259 HydrophobicContact CB-CG 4.19Å; D256-K259 PolarHBondContact O-N 2.76Å; D256-K259 VanDerWaalsContact O-N 3.17Å; D256-K259 PolarHBondContact OD1-N 3.35Å; D256-K259 VanDerWaalsContact OD1-N 3.14Å; D256-K259 VanDerWaalsContact OD2-CD 3.29Å; D256-K259 WeakPolarHBondContact OD2-CD 3.45Å; D256-K259 WeakPolarHBondContact OD2-CE 3.34Å; D256-K259 WeakPolarHBondContact OD2-CG 3.34Å; D256-K259 IonicContact OD2-NZ 2.75Å; D256-K259 PolarHBondContact OD2-NZ 2.97Å; K259-E262 PolarHBondContact O-N 3.25Å; K259-S263 WeakPolarHBondContact O-CB 3.45Å; K259-S263 PolarHBondContact O-N 3.17Å |
| 260 | I | 91.9 | Very high | 92.7 | Very high | 16 Ų | 16 | 74.6 Ų | 74.6 | 8% | 0.082 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62 | -47.3 | 177.2 | -67.7 | 170.3 | 0 | 0 | 0 | 109.8 | G169 V172 F253 Y255 D256 E257 S263 R264 | G169-I260 VanDerWaalsContact O-CG2 3.24Å; G169-I260 WeakPolarHBondContact O-CG2 3.3Å; V172-I260 HydrophobicContact CG2-CD1 4.2Å; F253-I260 HydrophobicContact CZ-CD1 4.35Å; Y255-I260 HydrophobicContact CD2-CD1 3.92Å; Y255-I260 HydrophobicContact CE2-CD1 3.63Å; D256-I260 WeakPolarHBondContact O-CG1 3.45Å; D256-I260 PolarHBondContact O-N 2.58Å; E257-I260 PolarHBondContact O-N 2.68Å; I260-S263 PolarHBondContact O-N 2.88Å; I260-R264 WeakPolarHBondContact O-CB 3.47Å; I260-R264 PolarHBondContact O-N 3.39Å |
| 261 | E | 92.4 | Very high | 92.5 | Very high | 68 Ų | 68 | 76.5 Ų | 76.5 | 32% | 0.318 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -68.8 | -37.2 | -179.9 | -171.4 | 53.4 | -149.6 | 0 | 0 | 112 | E257 K258 R264 N265 | E257-E261 VanDerWaalsContact O-CB 3.28Å; E257-E261 WeakPolarHBondContact O-CB 3.21Å; E257-E261 PolarHBondContact O-N 2.89Å; K258-E261 PolarHBondContact O-N 2.77Å; E261-R264 PolarHBondContact O-N 2.68Å; E261-R264 IonicContact OE2-CZ 3.56Å; E261-R264 IonicContact OE2-NH1 2.66Å; E261-R264 PolarHBondContact OE2-NH1 3.04Å; E261-N265 WeakPolarHBondContact CG-ND2 3.39Å; E261-N265 VanDerWaalsContact O-CB 3.31Å; E261-N265 WeakPolarHBondContact O-CB 3.48Å; E261-N265 VanDerWaalsContact O-CG 3.28Å; E261-N265 PolarHBondContact O-N 2.72Å; E261-N265 PolarHBondContact O-ND2 3.3Å; E261-N265 PolarHBondContact OE1-ND2 3.3Å |
| 262 | E | 91.5 | Very high | 92.5 | Very high | 105 Ų | 105 | 77.8 Ų | 77.8 | 49% | 0.491 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.9 | -46.6 | 171.8 | -77.9 | 172.7 | 176.6 | 0 | 0 | 112.1 | K258 K259 N265 E266 | K258-E262 WeakPolarHBondContact CE-OE1 3.46Å; K258-E262 IonicContact NZ-OE1 3.98Å; K258-E262 WeakPolarHBondContact O-CB 3.23Å; K258-E262 VanDerWaalsContact O-CG 3.25Å; K258-E262 WeakPolarHBondContact O-CG 3.48Å; K258-E262 PolarHBondContact O-N 3.39Å; K259-E262 PolarHBondContact O-N 3.25Å; E262-N265 PolarHBondContact O-N 2.67Å; E262-E266 WeakPolarHBondContact O-CB 3.42Å; E262-E266 PolarHBondContact O-N 3.05Å |
| 263 | S | 88.7 | Confident | 92.6 | Very high | 21 Ų | 21 | 72.1 Ų | 72.1 | 15% | 0.147 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63 | -42.8 | 177.8 | -172 | 0 | 0 | 0 | 0 | 111.8 | K259 I260 E266 L267 | K259-S263 WeakPolarHBondContact O-CB 3.45Å; K259-S263 PolarHBondContact O-N 3.17Å; I260-S263 PolarHBondContact O-N 2.88Å; S263-E266 PolarHBondContact O-N 3.25Å; S263-L267 PolarHBondContact O-N 2.66Å |
| 264 | R | 89.5 | Confident | 92.6 | Very high | 122 Ų | 122 | 72.3 Ų | 72.3 | 46% | 0.46 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63 | -44.4 | 175.5 | -174.5 | -175.3 | -71.1 | 148.7 | -5.1 | 112.1 | I260 E261 E266 L267 S268 | I260-R264 WeakPolarHBondContact O-CB 3.47Å; I260-R264 PolarHBondContact O-N 3.39Å; E261-R264 PolarHBondContact O-N 2.68Å; E261-R264 IonicContact OE2-CZ 3.56Å; E261-R264 IonicContact OE2-NH1 2.66Å; E261-R264 PolarHBondContact OE2-NH1 3.04Å; R264-E266 VanDerWaalsContact C-N 3.34Å; R264-L267 PolarHBondContact O-N 2.74Å; R264-S268 PolarHBondContact O-N 2.95Å |
| 265 | N | 92.6 | Very high | 92.7 | Very high | 85 Ų | 85 | 74 Ų | 74 | 46% | 0.455 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.8 | -37.3 | 177.6 | -77.5 | -48.2 | 0 | 0 | 0 | 112 | E261 E262 K269 | E261-N265 WeakPolarHBondContact CG-ND2 3.39Å; E261-N265 VanDerWaalsContact O-CB 3.31Å; E261-N265 WeakPolarHBondContact O-CB 3.48Å; E261-N265 VanDerWaalsContact O-CG 3.28Å; E261-N265 PolarHBondContact O-N 2.72Å; E261-N265 PolarHBondContact O-ND2 3.3Å; E261-N265 PolarHBondContact OE1-ND2 3.3Å; E262-N265 PolarHBondContact O-N 2.67Å; N265-K269 WeakPolarHBondContact O-CB 3.35Å; N265-K269 PolarHBondContact O-N 3.36Å |
| 266 | E | 92 | Very high | 92.8 | Very high | 105 Ų | 105 | 79.9 Ų | 79.9 | 49% | 0.491 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.3 | -47.3 | 174.1 | -173.1 | 176.8 | -170.5 | 0 | 0 | 111.7 | L155 E262 S263 R264 K269 L270 | L155-E266 HydrophobicContact CD1-CG 4.15Å; E262-E266 WeakPolarHBondContact O-CB 3.42Å; E262-E266 PolarHBondContact O-N 3.05Å; S263-E266 PolarHBondContact O-N 3.25Å; R264-E266 VanDerWaalsContact C-N 3.34Å; E266-K269 PolarHBondContact O-N 3.03Å; E266-L270 HydrophobicContact CG-CD1 4.21Å; E266-L270 WeakPolarHBondContact O-CG 3.46Å; E266-L270 PolarHBondContact O-N 3.42Å |
| 267 | L | 91.1 | Very high | 93 | Very high | 22 Ų | 22 | 80.6 Ų | 80.6 | 12% | 0.115 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -57.9 | -52.1 | 176.3 | -170.2 | 89.9 | 0 | 0 | 0 | 111.2 | L152 L155 E156 S263 R264 K269 L270 E271 | L152-L267 HydrophobicContact CD1-CD1 4.14Å; L155-L267 HydrophobicContact CB-CD1 3.7Å; L155-L267 HydrophobicContact CD1-CD1 4.26Å; E156-L267 HydrophobicContact CG-CD1 4.39Å; S263-L267 PolarHBondContact O-N 2.66Å; R264-L267 PolarHBondContact O-N 2.74Å; L267-K269 VanDerWaalsContact C-N 3.27Å; L267-K269 PolarHBondContact O-N 3.41Å; L267-L270 PolarHBondContact O-N 3.38Å; L267-L270 VanDerWaalsContact O-N 3.14Å; L267-E271 PolarHBondContact O-N 3.37Å |
| 268 | S | 93.1 | Very high | 93.2 | Very high | 70 Ų | 70 | 80.1 Ų | 80.1 | 49% | 0.49 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.2 | -39.9 | 180 | -174.5 | 0 | 0 | 0 | 0 | 112.1 | R264 S272 | R264-S268 PolarHBondContact O-N 2.95Å; S268-S272 WeakPolarHBondContact O-CB 3.2Å; S268-S272 PolarHBondContact O-N 3.1Å |
| 269 | K | 95 | Very high | 93.3 | Very high | 136 Ų | 136 | 76.1 Ų | 76.1 | 59% | 0.591 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63 | -47 | 175.2 | -177.8 | -177.8 | 176.3 | -174.2 | 0 | 111.6 | N265 E266 L267 S272 D273 | N265-K269 WeakPolarHBondContact O-CB 3.35Å; N265-K269 PolarHBondContact O-N 3.36Å; E266-K269 PolarHBondContact O-N 3.03Å; L267-K269 VanDerWaalsContact C-N 3.27Å; L267-K269 PolarHBondContact O-N 3.41Å; K269-S272 PolarHBondContact O-N 2.76Å; K269-D273 WeakPolarHBondContact O-CB 3.26Å; K269-D273 PolarHBondContact O-N 3.49Å |
| 270 | L | 94.1 | Very high | 93.6 | Very high | 24 Ų | 24 | 73.6 Ų | 73.6 | 13% | 0.126 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.8 | -37.9 | 179.4 | -69.4 | 173.9 | 0 | 0 | 0 | 112.3 | L148 C151 L152 L155 E266 L267 D273 K274 | L148-L270 HydrophobicContact CD1-CB 4.27Å; L148-L270 HydrophobicContact CD1-CD2 3.54Å; L148-L270 HydrophobicContact CD1-CG 4.5Å; C151-L270 HydrophobicContact CB-CD1 4.2Å; L152-L270 HydrophobicContact CD1-CB 3.98Å; L155-L270 HydrophobicContact CD1-CD1 3.53Å; E266-L270 HydrophobicContact CG-CD1 4.21Å; E266-L270 WeakPolarHBondContact O-CG 3.46Å; E266-L270 PolarHBondContact O-N 3.42Å; L267-L270 PolarHBondContact O-N 3.38Å; L267-L270 VanDerWaalsContact O-N 3.14Å; L270-D273 PolarHBondContact O-N 3.42Å; L270-K274 WeakPolarHBondContact O-CB 3.44Å; L270-K274 PolarHBondContact O-N 2.9Å |
| 271 | E | 94.6 | Very high | 93.9 | Very high | 67 Ų | 67 | 73.4 Ų | 73.4 | 31% | 0.313 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 172.9 | -73.6 | -175.6 | -170.3 | 0 | 0 | 112.2 | L152 L267 D273 K274 K275 | L152-E271 HydrophobicContact CD1-CG 3.69Å; L152-E271 HydrophobicContact CD2-CG 4.37Å; L267-E271 PolarHBondContact O-N 3.37Å; E271-D273 VanDerWaalsContact C-N 3.35Å; E271-K274 PolarHBondContact O-N 2.96Å; E271-K275 WeakPolarHBondContact O-CG 3.23Å; E271-K275 PolarHBondContact O-N 2.91Å |
| 272 | S | 95.6 | Very high | 94.2 | Very high | 64 Ų | 64 | 71.3 Ų | 71.3 | 45% | 0.448 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 176.2 | -177 | 0 | 0 | 0 | 0 | 111.2 | S268 K269 K275 R276 | S268-S272 WeakPolarHBondContact O-CB 3.2Å; S268-S272 PolarHBondContact O-N 3.1Å; K269-S272 PolarHBondContact O-N 2.76Å; S272-K275 PolarHBondContact O-N 3.28Å; S272-R276 VanDerWaalsContact O-CB 3.3Å; S272-R276 WeakPolarHBondContact O-CB 3.37Å; S272-R276 PolarHBondContact O-N 2.95Å |
| 273 | D | 95.3 | Very high | 94.5 | Very high | 28 Ų | 28 | 75.4 Ų | 75.4 | 15% | 0.15 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 175 | -73.9 | -11.1 | 0 | 0 | 0 | 111.2 | L148 K269 L270 E271 R276 Q277 | L148-D273 HydrophobicContact CD1-CB 4.04Å; L148-D273 HydrophobicContact CD2-CB 4.03Å; K269-D273 WeakPolarHBondContact O-CB 3.26Å; K269-D273 PolarHBondContact O-N 3.49Å; L270-D273 PolarHBondContact O-N 3.42Å; E271-D273 VanDerWaalsContact C-N 3.35Å; D273-R276 PolarHBondContact O-N 2.95Å; D273-R276 IonicContact OD1-CZ 3.95Å; D273-R276 IonicContact OD1-NH1 2.69Å; D273-R276 PolarHBondContact OD1-NH1 3.41Å; D273-R276 IonicContact OD1-NH2 2.98Å; D273-R276 PolarHBondContact OD1-NH2 2.91Å; D273-Q277 WeakPolarHBondContact O-CB 3.48Å; D273-Q277 WeakPolarHBondContact O-CG 3.28Å; D273-Q277 PolarHBondContact O-N 3.21Å |
| 274 | K | 94.8 | Very high | 94.9 | Very high | 43 Ų | 43 | 76.3 Ų | 76.3 | 19% | 0.187 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.2 | -49.7 | 177.7 | -176.9 | -175.6 | 176 | -174.5 | 0 | 110 | E83 Y145 L148 L152 L270 E271 R276 Q277 F278 | E83-K274 IonicContact OE1-NZ 2.64Å; E83-K274 PolarHBondContact OE1-NZ 2.81Å; E83-K274 IonicContact OE2-NZ 2.73Å; E83-K274 PolarHBondContact OE2-NZ 3.37Å; Y145-K274 HydrophobicContact CE2-CG 4.21Å; L148-K274 HydrophobicContact CD2-CB 4.23Å; L148-K274 HydrophobicContact CG-CB 4.4Å; L152-K274 HydrophobicContact CD2-CD 3.81Å; L270-K274 WeakPolarHBondContact O-CB 3.44Å; L270-K274 PolarHBondContact O-N 2.9Å; E271-K274 PolarHBondContact O-N 2.96Å; K274-R276 VanDerWaalsContact C-N 3.35Å; K274-R276 PolarHBondContact O-N 3Å; K274-Q277 PolarHBondContact O-N 2.92Å; K274-F278 WeakPolarHBondContact O-CB 3.49Å; K274-F278 PolarHBondContact O-N 3.16Å |
| 275 | K | 93.8 | Very high | 95.4 | Very high | 153 Ų | 153 | 70.5 Ų | 70.5 | 67% | 0.665 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -60 | -42.8 | 177.3 | -72.6 | 170.5 | -178.7 | 163.9 | 0 | 111.8 | E271 S272 | E271-K275 WeakPolarHBondContact O-CG 3.23Å; E271-K275 PolarHBondContact O-N 2.91Å; S272-K275 PolarHBondContact O-N 3.28Å |
| 276 | R | 95.5 | Very high | 95.6 | Very high | 144 Ų | 144 | 69.7 Ų | 69.7 | 54% | 0.543 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.9 | -39.5 | 179.4 | -172.5 | 176.1 | 70.6 | -104.3 | -0 | 112.6 | S272 D273 K274 P280 | S272-R276 VanDerWaalsContact O-CB 3.3Å; S272-R276 WeakPolarHBondContact O-CB 3.37Å; S272-R276 PolarHBondContact O-N 2.95Å; D273-R276 PolarHBondContact O-N 2.95Å; D273-R276 IonicContact OD1-CZ 3.95Å; D273-R276 IonicContact OD1-NH1 2.69Å; D273-R276 PolarHBondContact OD1-NH1 3.41Å; D273-R276 IonicContact OD1-NH2 2.98Å; D273-R276 PolarHBondContact OD1-NH2 2.91Å; K274-R276 VanDerWaalsContact C-N 3.35Å; K274-R276 PolarHBondContact O-N 3Å; R276-P280 WeakPolarHBondContact O-CD 3.43Å |
| 277 | Q | 95.7 | Very high | 95.9 | Very high | 63 Ų | 63 | 68.4 Ų | 68.4 | 29% | 0.294 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -79.6 | -28 | -178.8 | -70.1 | -168.9 | 32.8 | 0 | 0 | 113.3 | Y145 L148 D273 K274 A279 P280 L281 | Y145-Q277 HydrophobicContact CD2-CB 4.08Å; Y145-Q277 HydrophobicContact CE2-CB 4.38Å; L148-Q277 HydrophobicContact CD2-CG 4.35Å; D273-Q277 WeakPolarHBondContact O-CB 3.48Å; D273-Q277 WeakPolarHBondContact O-CG 3.28Å; D273-Q277 PolarHBondContact O-N 3.21Å; K274-Q277 PolarHBondContact O-N 2.92Å; Q277-A279 PolarHBondContact O-N 3.31Å; Q277-P280 WeakPolarHBondContact O-CD 3.44Å; Q277-L281 VanDerWaalsContact O-CB 3.23Å; Q277-L281 WeakPolarHBondContact O-CB 3.32Å; Q277-L281 PolarHBondContact O-N 3.29Å; Q277-L281 VanDerWaalsContact O-N 3.09Å |
| 278 | F | 96.5 | Very high | 96.2 | Very high | 68 Ų | 68 | 68.5 Ų | 68.5 | 30% | 0.298 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -56.3 | -54.1 | -178.1 | 174.4 | -95.8 | 0 | 0 | 0 | 112.7 | V81 Y145 K274 L281 F282 | V81-F278 HydrophobicContact CG1-CD2 3.69Å; V81-F278 HydrophobicContact CG1-CE2 3.47Å; V81-F278 VanDerWaalsContact CG1-CE2 3.47Å; V81-F278 WeakPolarHBondContact O-CE2 3.49Å; Y145-F278 HydrophobicContact CE2-CB 4.3Å; K274-F278 WeakPolarHBondContact O-CB 3.49Å; K274-F278 PolarHBondContact O-N 3.16Å; F278-L281 PolarHBondContact O-N 3.41Å; F278-F282 HydrophobicContact CE1-CB 4.46Å; F278-F282 HydrophobicContact CZ-CB 4.43Å; F278-F282 HydrophobicContact CZ-CG 4.33Å; F278-F282 VanDerWaalsContact O-CB 3.29Å; F278-F282 WeakPolarHBondContact O-CB 3.31Å; F278-F282 PolarHBondContact O-N 2.9Å |
| 279 | A | 95.5 | Very high | 96.5 | Very high | 60 Ų | 60 | 65.1 Ų | 65.1 | 50% | 0.496 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.4 | -46 | -173 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q277 F282 R283 | Q277-A279 PolarHBondContact O-N 3.31Å; A279-F282 PolarHBondContact O-N 3.41Å; A279-R283 WeakPolarHBondContact O-CB 3.31Å; A279-R283 PolarHBondContact O-N 2.95Å |
| 280 | P | 97.3 | Very high | 96.6 | Very high | 82 Ų | 82 | 58.9 Ų | 58.9 | 53% | 0.532 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.3 | -41.7 | 172.7 | -24.6 | 34.7 | 0 | 0 | 0 | 113.3 | R276 Q277 W284 | R276-P280 WeakPolarHBondContact O-CD 3.43Å; Q277-P280 WeakPolarHBondContact O-CD 3.44Å; P280-W284 WeakPolarHBondContact O-CB 3.19Å; P280-W284 PolarHBondContact O-N 2.84Å |
| 281 | L | 98.2 | Very high | 96.8 | Very high | 12 Ų | 12 | 59.8 Ų | 59.8 | 6% | 0.063 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.3 | -50.2 | 176.9 | 175 | 61.1 | 0 | 0 | 0 | 110.9 | Y77 V81 K141 Y145 Q277 F278 R283 W284 L285 | Y77-L281 HydrophobicContact CE1-CD1 4.42Å; Y77-L281 HydrophobicContact CE1-CD2 4.22Å; V81-L281 HydrophobicContact CG1-CD2 4.44Å; V81-L281 HydrophobicContact CG2-CD2 4.04Å; K141-L281 HydrophobicContact CB-CD1 3.84Å; K141-L281 HydrophobicContact CD-CD1 4.39Å; Y145-L281 HydrophobicContact CD1-CD2 3.69Å; Y145-L281 HydrophobicContact CD2-CD2 3.76Å; Y145-L281 HydrophobicContact CE1-CD2 4.28Å; Y145-L281 HydrophobicContact CE2-CD2 4.35Å; Y145-L281 HydrophobicContact CG-CD2 3.39Å; Q277-L281 VanDerWaalsContact O-CB 3.23Å; Q277-L281 WeakPolarHBondContact O-CB 3.32Å; Q277-L281 PolarHBondContact O-N 3.29Å; Q277-L281 VanDerWaalsContact O-N 3.09Å; F278-L281 PolarHBondContact O-N 3.41Å; L281-R283 VanDerWaalsContact C-N 3.34Å; L281-R283 PolarHBondContact O-N 2.93Å; L281-W284 WeakPolarHBondContact O-CB 3.37Å; L281-W284 PolarHBondContact O-N 3.05Å; L281-W284 VanDerWaalsContact O-N 3.13Å; L281-L285 HydrophobicContact CD1-CD1 4.2Å; L281-L285 HydrophobicContact CD1-CG 4.27Å; L281-L285 HydrophobicContact CG-CD1 4.02Å; L281-L285 WeakPolarHBondContact O-CG 3.26Å; L281-L285 PolarHBondContact O-N 2.93Å |
| 282 | F | 97.7 | Very high | 97 | Very high | 24 Ų | 24 | 56.6 Ų | 56.6 | 11% | 0.105 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.5 | -40.6 | -178.2 | -168.1 | -113.6 | 0 | 0 | 0 | 111.9 | M78 V81 L82 N92 F278 A279 L285 K286 | M78-F282 HydrophobicContact CG-CD2 4.1Å; M78-F282 HydrophobicContact CG-CE2 3.51Å; M78-F282 HydrophobicContact CG-CZ 4.35Å; M78-F282 HydrophobicContact SD-CE2 4.22Å; V81-F282 HydrophobicContact CG1-CD2 4.37Å; L82-F282 HydrophobicContact CD1-CE2 4.02Å; L82-F282 HydrophobicContact CD1-CZ 4.18Å; L82-F282 HydrophobicContact CD2-CD2 4.49Å; L82-F282 HydrophobicContact CD2-CE1 4.45Å; L82-F282 HydrophobicContact CD2-CE2 3.61Å; L82-F282 HydrophobicContact CD2-CZ 3.59Å; L82-F282 HydrophobicContact CG-CE2 3.62Å; L82-F282 HydrophobicContact CG-CZ 4.02Å; N92-F282 HydrophobicContact CB-CZ 4.1Å; F278-F282 HydrophobicContact CE1-CB 4.46Å; F278-F282 HydrophobicContact CZ-CB 4.43Å; F278-F282 HydrophobicContact CZ-CG 4.33Å; F278-F282 VanDerWaalsContact O-CB 3.29Å; F278-F282 WeakPolarHBondContact O-CB 3.31Å; F278-F282 PolarHBondContact O-N 2.9Å; A279-F282 PolarHBondContact O-N 3.41Å; F282-L285 PolarHBondContact O-N 2.93Å; F282-K286 HydrophobicContact CD1-CD 4.42Å; F282-K286 HydrophobicContact CE1-CD 4.22Å; F282-K286 WeakPolarHBondContact O-CG 3.18Å; F282-K286 PolarHBondContact O-N 2.84Å |
| 283 | R | 97.4 | Very high | 97.1 | Very high | 190 Ų | 190 | 53.5 Ų | 53.5 | 72% | 0.717 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -61.7 | -43.5 | 172.4 | -174.7 | 176.7 | -175.1 | 128.2 | 1.2 | 111.8 | A279 L281 L285 K286 V287 | A279-R283 WeakPolarHBondContact O-CB 3.31Å; A279-R283 PolarHBondContact O-N 2.95Å; L281-R283 VanDerWaalsContact C-N 3.34Å; L281-R283 PolarHBondContact O-N 2.93Å; R283-L285 VanDerWaalsContact C-N 3.35Å; R283-K286 PolarHBondContact O-N 3.21Å; R283-V287 WeakPolarHBondContact O-CG2 3.45Å; R283-V287 PolarHBondContact O-N 2.99Å; R283-V287 VanDerWaalsContact O-N 3.17Å |
| 284 | W | 98.4 | Very high | 97.2 | Very high | 40 Ų | 40 | 52.3 Ų | 52.3 | 15% | 0.152 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.6 | -43.8 | 177.1 | -177 | 91.9 | 0 | 0 | 0 | 111.2 | V134 D137 L138 K141 P280 L281 K286 V287 N288 | V134-W284 HydrophobicContact CG1-CH2 4.39Å; D137-W284 HydrophobicContact CB-CH2 3.9Å; D137-W284 HydrophobicContact CB-CZ2 3.33Å; L138-W284 HydrophobicContact CB-CH2 3.92Å; L138-W284 HydrophobicContact CB-CZ3 4.11Å; L138-W284 HydrophobicContact CD1-CZ3 4.05Å; K141-W284 HydrophobicContact CD-CD2 3.53Å; K141-W284 HydrophobicContact CD-CE3 3.79Å; K141-W284 HydrophobicContact CD-CG 3.88Å; K141-W284 HydrophobicContact CD-CZ2 4.35Å; K141-W284 HydrophobicContact CD-CZ3 4.29Å; K141-W284 VanDerWaalsContact CE-CE2 3.49Å; P280-W284 WeakPolarHBondContact O-CB 3.19Å; P280-W284 PolarHBondContact O-N 2.84Å; L281-W284 WeakPolarHBondContact O-CB 3.37Å; L281-W284 PolarHBondContact O-N 3.05Å; L281-W284 VanDerWaalsContact O-N 3.13Å; W284-K286 PolarHBondContact O-N 3.14Å; W284-V287 PolarHBondContact O-N 3.25Å; W284-N288 HydrophobicContact CD2-CB 4.49Å; W284-N288 HydrophobicContact CE3-CB 4.47Å; W284-N288 HydrophobicContact CH2-CB 4.07Å; W284-N288 HydrophobicContact CZ2-CB 4.09Å; W284-N288 HydrophobicContact CZ3-CB 4.28Å; W284-N288 PolarHBondContact NE1-ND2 3.48Å; W284-N288 VanDerWaalsContact NE1-ND2 3.15Å; W284-N288 WeakPolarHBondContact O-CB 3.47Å; W284-N288 PolarHBondContact O-N 3.41Å; W284-N288 PolarHBondContact O-ND2 2.82Å |
| 285 | L | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.3 | -43.3 | 177.4 | -69 | 167.5 | 0 | 0 | 0 | 111.8 | V74 Y77 M78 V81 L138 L281 F282 R283 N288 F289 | V74-L285 HydrophobicContact CG1-CD2 4.13Å; Y77-L285 HydrophobicContact CD1-CD1 3.96Å; Y77-L285 HydrophobicContact CD1-CD2 3.89Å; Y77-L285 HydrophobicContact CE1-CD1 4.33Å; M78-L285 HydrophobicContact CB-CB 4.29Å; M78-L285 HydrophobicContact CB-CD1 4.31Å; M78-L285 HydrophobicContact CE-CB 3.8Å; M78-L285 WeakPolarHBondContact CE-O 3.32Å; M78-L285 HydrophobicContact CG-CB 4.34Å; V81-L285 HydrophobicContact CB-CD1 4.49Å; V81-L285 HydrophobicContact CG2-CD1 4.19Å; L138-L285 HydrophobicContact CD1-CD2 3.62Å; L281-L285 HydrophobicContact CD1-CD1 4.2Å; L281-L285 HydrophobicContact CD1-CG 4.27Å; L281-L285 HydrophobicContact CG-CD1 4.02Å; L281-L285 WeakPolarHBondContact O-CG 3.26Å; L281-L285 PolarHBondContact O-N 2.93Å; F282-L285 PolarHBondContact O-N 2.93Å; R283-L285 VanDerWaalsContact C-N 3.35Å; L285-N288 PolarHBondContact O-N 2.83Å; L285-F289 VanDerWaalsContact O-CB 3.31Å; L285-F289 WeakPolarHBondContact O-CB 3.16Å; L285-F289 PolarHBondContact O-N 2.85Å |
| 286 | K | 97.8 | Very high | 97.6 | Very high | 68 Ų | 68 | 43 Ų | 43 | 30% | 0.296 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59.1 | -50.8 | 177.3 | -76.7 | 179.3 | 168.7 | -175.5 | 0 | 112.6 | M78 N92 F282 R283 W284 G290 | M78-K286 HydrophobicContact CE-CB 4.47Å; M78-K286 HydrophobicContact CE-CG 4.09Å; M78-K286 HydrophobicContact SD-CG 4.32Å; N92-K286 VanDerWaalsContact CG-CE 3.5Å; N92-K286 WeakPolarHBondContact OD1-CE 3.34Å; N92-K286 PolarHBondContact OD1-NZ 2.82Å; F282-K286 HydrophobicContact CD1-CD 4.42Å; F282-K286 HydrophobicContact CE1-CD 4.22Å; F282-K286 WeakPolarHBondContact O-CG 3.18Å; F282-K286 PolarHBondContact O-N 2.84Å; R283-K286 PolarHBondContact O-N 3.21Å; W284-K286 PolarHBondContact O-N 3.14Å; K286-G290 PolarHBondContact O-N 2.82Å |
| 287 | V | 98.1 | Very high | 97.7 | Very high | 79 Ų | 79 | 36.2 Ų | 36.2 | 48% | 0.479 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.2 | -47.5 | -179.6 | 173.2 | 0 | 0 | 0 | 0 | 110 | R283 W284 F289 G290 E291 | R283-V287 WeakPolarHBondContact O-CG2 3.45Å; R283-V287 PolarHBondContact O-N 2.99Å; R283-V287 VanDerWaalsContact O-N 3.17Å; W284-V287 PolarHBondContact O-N 3.25Å; V287-F289 PolarHBondContact O-N 2.79Å; V287-G290 PolarHBondContact O-N 2.81Å; V287-E291 HydrophobicContact CG1-CG 4.35Å; V287-E291 WeakPolarHBondContact O-CG 3.18Å; V287-E291 PolarHBondContact O-N 3.5Å |
| 288 | N | 98.3 | Very high | 97.8 | Very high | 23 Ų | 23 | 33.2 Ų | 33.2 | 12% | 0.123 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -75.8 | -23.2 | -174.7 | -72.2 | -89 | 0 | 0 | 0 | 113.4 | V134 W284 L285 A292 | V134-N288 HydrophobicContact CG1-CB 4.1Å; V134-N288 HydrophobicContact CG2-CB 4.46Å; W284-N288 HydrophobicContact CD2-CB 4.49Å; W284-N288 HydrophobicContact CE3-CB 4.47Å; W284-N288 HydrophobicContact CH2-CB 4.07Å; W284-N288 HydrophobicContact CZ2-CB 4.09Å; W284-N288 HydrophobicContact CZ3-CB 4.28Å; W284-N288 PolarHBondContact NE1-ND2 3.48Å; W284-N288 VanDerWaalsContact NE1-ND2 3.15Å; W284-N288 WeakPolarHBondContact O-CB 3.47Å; W284-N288 PolarHBondContact O-N 3.41Å; W284-N288 PolarHBondContact O-ND2 2.82Å; L285-N288 PolarHBondContact O-N 2.83Å; N288-A292 WeakPolarHBondContact O-CB 3.47Å; N288-A292 PolarHBondContact O-N 3.05Å |
| 289 | F | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.6 | -49.9 | 165.9 | 172 | -98.4 | 0 | 0 | 0 | 110.4 | T71 V74 A75 M78 L93 V95 P100 L285 V287 E291 A292 F293 M380 | T71-F289 HydrophobicContact CG2-CD2 4.06Å; T71-F289 HydrophobicContact CG2-CE2 3.74Å; V74-F289 HydrophobicContact CG1-CB 3.83Å; A75-F289 HydrophobicContact CB-CD2 4.02Å; A75-F289 HydrophobicContact CB-CE2 3.97Å; M78-F289 HydrophobicContact CE-CB 4.02Å; L93-F289 VanDerWaalsContact C-CE1 3.42Å; L93-F289 HydrophobicContact CB-CD1 4.16Å; L93-F289 HydrophobicContact CB-CE1 3.61Å; L93-F289 HydrophobicContact CB-CE2 4.47Å; L93-F289 HydrophobicContact CB-CZ 3.78Å; L93-F289 HydrophobicContact CD1-CZ 4.4Å; L93-F289 HydrophobicContact CD2-CD1 4.05Å; L93-F289 HydrophobicContact CD2-CD2 3.76Å; L93-F289 HydrophobicContact CD2-CE1 4.11Å; L93-F289 HydrophobicContact CD2-CE2 3.81Å; L93-F289 HydrophobicContact CD2-CG 3.87Å; L93-F289 HydrophobicContact CD2-CZ 3.99Å; L93-F289 HydrophobicContact CG-CE1 4.39Å; L93-F289 HydrophobicContact CG-CE2 4.48Å; L93-F289 HydrophobicContact CG-CZ 4.26Å; V95-F289 HydrophobicContact CG2-CE1 4.09Å; P100-F289 HydrophobicContact CG-CE1 4.2Å; P100-F289 HydrophobicContact CG-CZ 4.11Å; L285-F289 VanDerWaalsContact O-CB 3.31Å; L285-F289 WeakPolarHBondContact O-CB 3.16Å; L285-F289 PolarHBondContact O-N 2.85Å; V287-F289 PolarHBondContact O-N 2.79Å; F289-E291 VanDerWaalsContact C-N 3.35Å; F289-E291 PolarHBondContact O-N 3.46Å; F289-A292 PolarHBondContact O-N 3.12Å; F289-F293 HydrophobicContact CZ-CB 4.49Å; F289-F293 HydrophobicContact CZ-CD2 4.4Å; F289-F293 WeakPolarHBondContact O-CB 3.09Å; F289-F293 PolarHBondContact O-N 2.96Å; F289-M380 HydrophobicContact CE2-CB 4.37Å; F289-M380 HydrophobicContact CE2-CG 4Å; F289-M380 HydrophobicContact CE2-SD 4.44Å; F289-M380 HydrophobicContact CZ-CG 4.19Å |
| 290 | G | 97.7 | Very high | 98 | Very high | 5 Ų | 5 | 27.2 Ų | 27.2 | 5% | 0.052 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.5 | -44.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T94 K286 V287 S294 | T94-G290 WeakPolarHBondContact O-CA 3.48Å; K286-G290 PolarHBondContact O-N 2.82Å; V287-G290 PolarHBondContact O-N 2.81Å; G290-S294 WeakPolarHBondContact O-CB 3.32Å; G290-S294 PolarHBondContact O-N 3.38Å |
| 291 | E | 97.9 | Very high | 98.1 | Very high | 42 Ų | 42 | 23.3 Ų | 23.3 | 20% | 0.196 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.8 | -46.4 | 176.6 | -69.5 | -61.9 | 148.1 | 0 | 0 | 112.5 | K113 Q130 V287 F289 S294 A295 | K113-E291 IonicContact NZ-OE1 3.8Å; K113-E291 PolarHBondContact NZ-OE1 3.14Å; K113-E291 IonicContact NZ-OE2 2.74Å; K113-E291 PolarHBondContact NZ-OE2 2.95Å; Q130-E291 PolarHBondContact NE2-OE2 2.92Å; V287-E291 HydrophobicContact CG1-CG 4.35Å; V287-E291 WeakPolarHBondContact O-CG 3.18Å; V287-E291 PolarHBondContact O-N 3.5Å; F289-E291 VanDerWaalsContact C-N 3.35Å; F289-E291 PolarHBondContact O-N 3.46Å; E291-S294 PolarHBondContact O-N 3.38Å; E291-A295 WeakPolarHBondContact O-CB 3.29Å; E291-A295 PolarHBondContact O-N 3.3Å |
| 292 | A | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66.1 | -43.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | I70 T71 L131 N288 F289 A295 M296 | I70-A292 HydrophobicContact CG2-CB 4.33Å; T71-A292 PolarHBondContact OG1-O 3.18Å; L131-A292 HydrophobicContact CD2-CB 4.24Å; N288-A292 WeakPolarHBondContact O-CB 3.47Å; N288-A292 PolarHBondContact O-N 3.05Å; F289-A292 PolarHBondContact O-N 3.12Å; A292-A295 PolarHBondContact O-N 2.94Å; A292-M296 WeakPolarHBondContact O-CB 3.27Å; A292-M296 PolarHBondContact O-N 3.01Å |
| 293 | F | 97.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.8 | -43.1 | 176.2 | -174.3 | -83.2 | 0 | 0 | 0 | 111.3 | T71 V95 P100 F103 F289 M296 V297 L378 M380 | T71-F293 HydrophobicContact CG2-CB 3.94Å; T71-F293 HydrophobicContact CG2-CD2 4.12Å; V95-F293 HydrophobicContact CB-CD1 4.38Å; V95-F293 HydrophobicContact CG1-CD1 4.19Å; V95-F293 HydrophobicContact CG2-CB 3.9Å; V95-F293 HydrophobicContact CG2-CD1 3.53Å; V95-F293 HydrophobicContact CG2-CE1 4.26Å; V95-F293 HydrophobicContact CG2-CG 3.82Å; P100-F293 HydrophobicContact CB-CD2 4.3Å; P100-F293 HydrophobicContact CB-CE1 4.1Å; P100-F293 HydrophobicContact CB-CE2 3.72Å; P100-F293 HydrophobicContact CB-CZ 3.6Å; F103-F293 HydrophobicContact CD1-CD1 4.02Å; F103-F293 AromaticContact CD1-CE1 3.73Å; F103-F293 HydrophobicContact CD1-CE1 3.73Å; F103-F293 HydrophobicContact CE1-CD1 4.34Å; F103-F293 HydrophobicContact CE1-CE1 4.33Å; F289-F293 HydrophobicContact CZ-CB 4.49Å; F289-F293 HydrophobicContact CZ-CD2 4.4Å; F289-F293 WeakPolarHBondContact O-CB 3.09Å; F289-F293 PolarHBondContact O-N 2.96Å; F293-M296 HydrophobicContact CD2-CE 3.59Å; F293-M296 HydrophobicContact CE2-CE 3.44Å; F293-M296 VanDerWaalsContact CE2-CE 3.44Å; F293-M296 HydrophobicContact CG-CE 4.25Å; F293-M296 HydrophobicContact CZ-CE 4.02Å; F293-M296 WeakPolarHBondContact O-CB 3.48Å; F293-M296 PolarHBondContact O-N 3.08Å; F293-V297 HydrophobicContact CD1-CG2 4.03Å; F293-V297 HydrophobicContact CE1-CG2 3.61Å; F293-V297 HydrophobicContact CZ-CG2 4.11Å; F293-V297 WeakPolarHBondContact O-CG2 3.26Å; F293-V297 PolarHBondContact O-N 3.11Å; F293-L378 HydrophobicContact CE2-CD2 3.78Å; F293-L378 HydrophobicContact CZ-CD2 3.64Å; F293-M380 HydrophobicContact CD2-CE 3.59Å; F293-M380 HydrophobicContact CE2-CE 3.46Å; F293-M380 VanDerWaalsContact CE2-CE 3.46Å |
| 294 | S | 97.8 | Very high | 98.1 | Very high | 3 Ų | 3 | 14.2 Ų | 14.2 | 2% | 0.021 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -59.5 | -48.2 | 175 | -178.3 | 0 | 0 | 0 | 0 | 111 | G290 E291 M296 V297 H298 | G290-S294 WeakPolarHBondContact O-CB 3.32Å; G290-S294 PolarHBondContact O-N 3.38Å; E291-S294 PolarHBondContact O-N 3.38Å; S294-M296 VanDerWaalsContact C-N 3.33Å; S294-M296 PolarHBondContact O-N 3.45Å; S294-V297 PolarHBondContact O-N 2.86Å; S294-H298 PolarHBondContact O-N 2.8Å; S294-H298 PolarHBondContact O-ND1 3.37Å; S294-H298 PolarHBondContact OG-CE1 3.03Å; S294-H298 PolarHBondContact OG-ND1 2.99Å |
| 295 | A | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -56.6 | -44.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I127 L131 E291 A292 V297 H298 I299 | I127-A295 HydrophobicContact CG2-CB 3.87Å; L131-A295 HydrophobicContact CD2-CB 4.04Å; L131-A295 HydrophobicContact CG-CB 4.2Å; E291-A295 WeakPolarHBondContact O-CB 3.29Å; E291-A295 PolarHBondContact O-N 3.3Å; A292-A295 PolarHBondContact O-N 2.94Å; A295-V297 PolarHBondContact O-N 2.89Å; A295-H298 PolarHBondContact O-N 3.38Å; A295-I299 WeakPolarHBondContact O-CG1 3.32Å; A295-I299 PolarHBondContact O-N 3.21Å |
| 296 | M | 97.7 | Very high | 98 | Very high | 1 Ų | 1 | 12.3 Ų | 12.3 | 1% | 0.005 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -56.8 | -46 | 175.2 | -176.6 | -167.3 | 73.6 | 0 | 0 | 111.9 | A67 E68 A292 F293 S294 H298 I299 K300 V376 M380 | A67-M296 HydrophobicContact CB-CB 4Å; A67-M296 HydrophobicContact CB-CG 4.17Å; E68-M296 HydrophobicContact CB-SD 4.4Å; E68-M296 HydrophobicContact CG-CG 4.08Å; E68-M296 HydrophobicContact CG-SD 3.56Å; E68-M296 VanDerWaalsContact CG-SD 3.56Å; A292-M296 WeakPolarHBondContact O-CB 3.27Å; A292-M296 PolarHBondContact O-N 3.01Å; F293-M296 HydrophobicContact CD2-CE 3.59Å; F293-M296 HydrophobicContact CE2-CE 3.44Å; F293-M296 VanDerWaalsContact CE2-CE 3.44Å; F293-M296 HydrophobicContact CG-CE 4.25Å; F293-M296 HydrophobicContact CZ-CE 4.02Å; F293-M296 WeakPolarHBondContact O-CB 3.48Å; F293-M296 PolarHBondContact O-N 3.08Å; S294-M296 VanDerWaalsContact C-N 3.33Å; S294-M296 PolarHBondContact O-N 3.45Å; M296-H298 PolarHBondContact O-N 3.06Å; M296-I299 PolarHBondContact O-N 2.93Å; M296-K300 WeakPolarHBondContact O-CG 3.26Å; M296-K300 PolarHBondContact O-N 3.36Å; M296-V376 HydrophobicContact CE-CG1 4.3Å; M296-M380 HydrophobicContact CE-CE 4.09Å |
| 297 | V | 98 | Very high | 98 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -66.8 | -36.5 | 177.6 | -178.6 | 0 | 0 | 0 | 0 | 111.9 | F39 F103 L104 F107 F293 S294 A295 K300 A301 | F39-V297 HydrophobicContact CE2-CG1 3.94Å; F39-V297 HydrophobicContact CZ-CG1 3.89Å; F103-V297 HydrophobicContact CD1-CG2 4.39Å; F103-V297 HydrophobicContact CE1-CB 4.13Å; F103-V297 HydrophobicContact CE1-CG1 4.39Å; F103-V297 HydrophobicContact CE1-CG2 4.07Å; L104-V297 HydrophobicContact CD1-CG1 3.71Å; L104-V297 HydrophobicContact CD1-CG2 3.97Å; F107-V297 HydrophobicContact CB-CG1 4.46Å; F107-V297 HydrophobicContact CD1-CG1 4.5Å; F107-V297 HydrophobicContact CD2-CB 4.27Å; F107-V297 HydrophobicContact CD2-CG1 3.36Å; F107-V297 HydrophobicContact CE2-CB 4.25Å; F107-V297 HydrophobicContact CE2-CG1 3.59Å; F107-V297 HydrophobicContact CG-CG1 3.85Å; F107-V297 HydrophobicContact CZ-CG1 4.26Å; F293-V297 HydrophobicContact CD1-CG2 4.03Å; F293-V297 HydrophobicContact CE1-CG2 3.61Å; F293-V297 HydrophobicContact CZ-CG2 4.11Å; F293-V297 WeakPolarHBondContact O-CG2 3.26Å; F293-V297 PolarHBondContact O-N 3.11Å; S294-V297 PolarHBondContact O-N 2.86Å; A295-V297 PolarHBondContact O-N 2.89Å; V297-K300 PolarHBondContact O-N 3.12Å; V297-A301 PolarHBondContact O-N 3.29Å |
| 298 | H | 98.3 | Very high | 97.9 | Very high | 1 Ų | 1 | 7.1 Ų | 7.1 | 1% | 0.005 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -65.2 | -38.6 | 174.3 | -74.3 | 81.6 | 0 | 0 | 0 | 112.3 | F107 W109 D110 Y114 I127 S294 A295 M296 K300 A301 L302 | F107-H298 AromaticContact CE2-CE1 3.63Å; F107-H298 AromaticContact CE2-ND1 3.77Å; F107-H298 AromaticContact CE2-NE2 3.87Å; W109-H298 AromaticContact CD2-CD2 3.77Å; W109-H298 AromaticContact CE3-CD2 3.46Å; W109-H298 VanDerWaalsContact CE3-CD2 3.46Å; W109-H298 HydrophobicContact CH2-CB 4.31Å; W109-H298 AromaticContact CH2-CD2 3.93Å; W109-H298 HydrophobicContact CZ3-CB 4.02Å; W109-H298 AromaticContact CZ3-CD2 3.54Å; D110-H298 PolarHBondContact N-NE2 3.19Å; Y114-H298 HydrophobicContact CD2-CB 4.38Å; Y114-H298 AromaticContact CD2-CD2 3.23Å; Y114-H298 WeakPolarHBondContact CD2-CD2 3.34Å; Y114-H298 AromaticContact CD2-CG 3.76Å; Y114-H298 AromaticContact CD2-NE2 3.56Å; Y114-H298 HydrophobicContact CE2-CB 4.05Å; Y114-H298 AromaticContact CE2-CD2 3.44Å; Y114-H298 VanDerWaalsContact CE2-CD2 3.44Å; Y114-H298 WeakPolarHBondContact CE2-CD2 3.15Å; Y114-H298 AromaticContact CE2-CE1 3.81Å; Y114-H298 AromaticContact CE2-CG 3.48Å; Y114-H298 VanDerWaalsContact CE2-CG 3.48Å; Y114-H298 AromaticContact CE2-ND1 3.72Å; Y114-H298 AromaticContact CE2-NE2 3.67Å; I127-H298 HydrophobicContact CD1-CB 4.17Å; S294-H298 PolarHBondContact O-N 2.8Å; S294-H298 PolarHBondContact O-ND1 3.37Å; S294-H298 PolarHBondContact OG-CE1 3.03Å; S294-H298 PolarHBondContact OG-ND1 2.99Å; A295-H298 PolarHBondContact O-N 3.38Å; M296-H298 PolarHBondContact O-N 3.06Å; H298-K300 VanDerWaalsContact C-N 3.34Å; H298-A301 WeakPolarHBondContact O-CB 3.48Å; H298-A301 PolarHBondContact O-N 2.99Å; H298-L302 WeakPolarHBondContact O-CG 3.46Å; H298-L302 PolarHBondContact O-N 3.07Å |
| 299 | I | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -61.1 | -45.2 | 172.6 | -68.2 | 155.6 | 0 | 0 | 0 | 110.1 | L60 L63 D64 A67 I127 L131 A295 M296 A301 L302 R303 | L60-I299 HydrophobicContact CD2-CG2 4.32Å; L63-I299 HydrophobicContact CD1-CD1 4.37Å; L63-I299 HydrophobicContact CD2-CD1 3.95Å; L63-I299 HydrophobicContact CD2-CG1 3.95Å; L63-I299 HydrophobicContact CG-CD1 3.67Å; L63-I299 HydrophobicContact CG-CG1 4.13Å; D64-I299 HydrophobicContact CB-CG2 3.79Å; A67-I299 HydrophobicContact CB-CD1 3.51Å; I127-I299 HydrophobicContact CD1-CG1 4.37Å; I127-I299 HydrophobicContact CG2-CD1 3.62Å; I127-I299 HydrophobicContact CG2-CG1 3.68Å; L131-I299 HydrophobicContact CD1-CD1 3.61Å; A295-I299 WeakPolarHBondContact O-CG1 3.32Å; A295-I299 PolarHBondContact O-N 3.21Å; M296-I299 PolarHBondContact O-N 2.93Å; I299-A301 VanDerWaalsContact C-N 3.27Å; I299-A301 PolarHBondContact O-N 2.74Å; I299-L302 PolarHBondContact O-N 2.85Å; I299-L302 VanDerWaalsContact O-N 3.12Å; I299-R303 HydrophobicContact CG2-CG 4.37Å; I299-R303 WeakPolarHBondContact O-CG 3.23Å; I299-R303 PolarHBondContact O-N 2.97Å |
| 300 | K | 98 | Very high | 97.6 | Very high | 1 Ų | 1 | 9 Ų | 9 | 0% | 0.004 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -61.1 | -37.1 | 176.1 | -65.9 | -170 | -168.7 | -60.3 | 0 | 112.1 | I6 D64 E68 M296 V297 H298 R303 V304 K375 V376 | I6-K300 HydrophobicContact CD1-CB 3.98Å; I6-K300 HydrophobicContact CD1-CD 4.38Å; D64-K300 WeakPolarHBondContact OD1-CG 3.36Å; D64-K300 IonicContact OD1-NZ 3.99Å; D64-K300 PolarHBondContact OD1-NZ 3.33Å; D64-K300 IonicContact OD2-NZ 2.66Å; D64-K300 PolarHBondContact OD2-NZ 2.66Å; E68-K300 IonicContact OE1-NZ 2.79Å; E68-K300 PolarHBondContact OE1-NZ 2.9Å; M296-K300 WeakPolarHBondContact O-CG 3.26Å; M296-K300 PolarHBondContact O-N 3.36Å; V297-K300 PolarHBondContact O-N 3.12Å; H298-K300 VanDerWaalsContact C-N 3.34Å; K300-R303 PolarHBondContact O-N 3.29Å; K300-V304 WeakPolarHBondContact O-CG2 3.27Å; K300-V304 PolarHBondContact O-N 2.88Å; K300-K375 PolarHBondContact NZ-O 3.23Å; K300-V376 HydrophobicContact CD-CB 4.36Å; K300-V376 HydrophobicContact CD-CG1 4.24Å; K300-V376 HydrophobicContact CD-CG2 3.58Å |
| 301 | A | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -63.2 | -43.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F39 I41 F107 W109 V297 H298 I299 V304 F305 | F39-A301 HydrophobicContact CE1-CB 3.69Å; F39-A301 HydrophobicContact CZ-CB 4.04Å; I41-A301 HydrophobicContact CD1-CB 4.44Å; I41-A301 HydrophobicContact CG1-CB 4.15Å; F107-A301 HydrophobicContact CE1-CB 4.05Å; F107-A301 HydrophobicContact CZ-CB 4.12Å; W109-A301 HydrophobicContact CE3-CB 4.22Å; W109-A301 HydrophobicContact CZ3-CB 3.94Å; V297-A301 PolarHBondContact O-N 3.29Å; H298-A301 WeakPolarHBondContact O-CB 3.48Å; H298-A301 PolarHBondContact O-N 2.99Å; I299-A301 VanDerWaalsContact C-N 3.27Å; I299-A301 PolarHBondContact O-N 2.74Å; A301-V304 PolarHBondContact O-N 3.46Å; A301-F305 WeakPolarHBondContact O-CB 3.48Å; A301-F305 PolarHBondContact O-N 3Å |
| 302 | L | 98.2 | Very high | 97.2 | Very high | 2 Ų | 2 | 13.2 Ų | 13.2 | 1% | 0.01 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -63 | -41.4 | 174.1 | -68.5 | 174.7 | 0 | 0 | 0 | 111.9 | F45 L60 W109 L120 L123 I127 H298 I299 F305 V306 | F45-L302 HydrophobicContact CE1-CD2 4.28Å; F45-L302 HydrophobicContact CE2-CD2 4.21Å; F45-L302 HydrophobicContact CZ-CD2 3.94Å; L60-L302 HydrophobicContact CD1-CB 4.02Å; L60-L302 HydrophobicContact CD2-CB 3.91Å; L60-L302 HydrophobicContact CD2-CD1 4.11Å; W109-L302 HydrophobicContact CH2-CD1 4.3Å; W109-L302 HydrophobicContact CH2-CD2 3.73Å; W109-L302 HydrophobicContact CH2-CG 3.82Å; W109-L302 HydrophobicContact CZ3-CD2 4.33Å; W109-L302 HydrophobicContact CZ3-CG 4.25Å; L120-L302 HydrophobicContact CD2-CD2 3.76Å; L123-L302 HydrophobicContact CB-CD1 4.24Å; L123-L302 HydrophobicContact CD1-CD2 4.17Å; I127-L302 HydrophobicContact CD1-CD1 3.74Å; H298-L302 WeakPolarHBondContact O-CG 3.46Å; H298-L302 PolarHBondContact O-N 3.07Å; I299-L302 PolarHBondContact O-N 2.85Å; I299-L302 VanDerWaalsContact O-N 3.12Å; L302-F305 PolarHBondContact O-N 3.39Å; L302-V306 WeakPolarHBondContact O-CG2 3.43Å; L302-V306 PolarHBondContact O-N 2.78Å |
| 303 | R | 97.9 | Very high | 96.9 | Very high | 34 Ų | 34 | 14.8 Ų | 14.8 | 13% | 0.128 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -59.6 | -49.9 | 175.3 | -73 | -173.1 | 71.1 | 178.3 | 12.4 | 111.7 | L60 S61 D64 I299 K300 F305 V306 E307 F374 | L60-R303 HydrophobicContact CB-CG 3.64Å; L60-R303 HydrophobicContact CD1-CG 4.48Å; S61-R303 PolarHBondContact OG-NH2 3.25Å; D64-R303 IonicContact OD2-CZ 3.28Å; D64-R303 IonicContact OD2-NH1 3.25Å; D64-R303 PolarHBondContact OD2-NH1 3.41Å; I299-R303 HydrophobicContact CG2-CG 4.37Å; I299-R303 WeakPolarHBondContact O-CG 3.23Å; I299-R303 PolarHBondContact O-N 2.97Å; K300-R303 PolarHBondContact O-N 3.29Å; R303-F305 VanDerWaalsContact C-N 3.29Å; R303-F305 PolarHBondContact O-N 2.84Å; R303-V306 PolarHBondContact O-N 3.29Å; R303-E307 VanDerWaalsContact O-CB 3.26Å; R303-E307 WeakPolarHBondContact O-CB 3.35Å; R303-E307 WeakPolarHBondContact O-CG 3.17Å; R303-E307 PolarHBondContact O-N 3.37Å; R303-F374 HydrophobicContact CB-CD2 4.49Å; R303-F374 HydrophobicContact CB-CE2 4.01Å; R303-F374 HydrophobicContact CB-CZ 4.18Å; R303-F374 VanDerWaalsContact CZ-CE1 3.48Å |
| 304 | V | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -58.4 | -44.7 | 176.9 | 174.7 | 0 | 0 | 0 | 0 | 110.2 | I6 I41 K300 A301 S308 A320 F374 | I6-V304 HydrophobicContact CB-CG2 4.26Å; I6-V304 HydrophobicContact CG2-CG2 3.6Å; I41-V304 HydrophobicContact CD1-CB 3.57Å; I41-V304 HydrophobicContact CD1-CG1 3.4Å; I41-V304 HydrophobicContact CD1-CG2 4.48Å; K300-V304 WeakPolarHBondContact O-CG2 3.27Å; K300-V304 PolarHBondContact O-N 2.88Å; A301-V304 PolarHBondContact O-N 3.46Å; V304-S308 WeakPolarHBondContact O-CB 3.3Å; V304-S308 PolarHBondContact O-N 3.46Å; V304-S308 PolarHBondContact O-OG 2.98Å; V304-A320 HydrophobicContact CG1-CB 3.95Å; V304-F374 HydrophobicContact CG2-CD2 3.57Å; V304-F374 HydrophobicContact CG2-CE2 4.09Å |
| 305 | F | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.1 | -54.8 | 177.7 | -177.3 | -89.4 | 0 | 0 | 0 | 112.2 | I41 F45 V47 L120 A301 L302 R303 E307 S308 V309 V316 F318 | I41-F305 HydrophobicContact CG2-CB 4.06Å; I41-F305 HydrophobicContact CG2-CD2 4.03Å; I41-F305 HydrophobicContact CG2-CG 4.5Å; F45-F305 HydrophobicContact CB-CD1 4.42Å; F45-F305 HydrophobicContact CB-CD2 4.42Å; F45-F305 HydrophobicContact CB-CE1 3.87Å; F45-F305 HydrophobicContact CB-CE2 3.87Å; F45-F305 HydrophobicContact CB-CZ 3.57Å; F45-F305 HydrophobicContact CD2-CB 4.43Å; F45-F305 HydrophobicContact CD2-CD1 4.24Å; F45-F305 AromaticContact CD2-CD2 3.61Å; F45-F305 HydrophobicContact CD2-CD2 3.61Å; F45-F305 HydrophobicContact CD2-CE1 4.46Å; F45-F305 AromaticContact CD2-CE2 3.85Å; F45-F305 HydrophobicContact CD2-CE2 3.85Å; F45-F305 AromaticContact CD2-CG 3.82Å; F45-F305 HydrophobicContact CD2-CG 3.82Å; F45-F305 HydrophobicContact CD2-CZ 4.28Å; F45-F305 HydrophobicContact CE2-CD2 4.41Å; F45-F305 HydrophobicContact CE2-CG 4.5Å; F45-F305 HydrophobicContact CG-CE2 4.38Å; F45-F305 HydrophobicContact CG-CZ 4.44Å; V47-F305 HydrophobicContact CG2-CE1 4.23Å; V47-F305 HydrophobicContact CG2-CZ 3.95Å; L120-F305 HydrophobicContact CD1-CD1 4.1Å; L120-F305 HydrophobicContact CD1-CE1 3.98Å; L120-F305 HydrophobicContact CD2-CD1 4.23Å; L120-F305 HydrophobicContact CD2-CE1 4.42Å; A301-F305 WeakPolarHBondContact O-CB 3.48Å; A301-F305 PolarHBondContact O-N 3Å; L302-F305 PolarHBondContact O-N 3.39Å; R303-F305 VanDerWaalsContact C-N 3.29Å; R303-F305 PolarHBondContact O-N 2.84Å; F305-E307 VanDerWaalsContact C-N 3.34Å; F305-E307 PolarHBondContact O-N 3.2Å; F305-S308 PolarHBondContact O-N 3Å; F305-V309 HydrophobicContact CD1-CG2 4.3Å; F305-V309 HydrophobicContact CE1-CG2 3.89Å; F305-V309 HydrophobicContact CZ-CG2 4.01Å; F305-V309 WeakPolarHBondContact O-CG2 3.22Å; F305-V309 PolarHBondContact O-N 3.24Å; F305-V316 HydrophobicContact CE2-CG1 3.99Å; F305-V316 HydrophobicContact CE2-CG2 4.45Å; F305-V316 HydrophobicContact CZ-CG2 4.18Å; F305-F318 HydrophobicContact CB-CZ 4.41Å; F305-F318 AromaticContact CD2-CE1 3.86Å; F305-F318 HydrophobicContact CD2-CE1 3.86Å; F305-F318 AromaticContact CD2-CZ 3.73Å; F305-F318 HydrophobicContact CD2-CZ 3.73Å; F305-F318 HydrophobicContact CE2-CE1 4.24Å; F305-F318 HydrophobicContact CE2-CZ 4.46Å; F305-F318 HydrophobicContact CG-CZ 4.43Å |
| 306 | V | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.3 | -46.3 | -177.5 | 169.5 | 0 | 0 | 0 | 0 | 110.8 | L53 L60 L120 L302 R303 V309 L310 | L53-V306 HydrophobicContact CB-CG1 4.37Å; L53-V306 HydrophobicContact CD2-CG1 4.28Å; L53-V306 HydrophobicContact CD2-CG2 4.14Å; L53-V306 WeakPolarHBondContact O-CG1 3.46Å; L60-V306 HydrophobicContact CD1-CB 4.37Å; L60-V306 HydrophobicContact CD1-CG2 3.8Å; L120-V306 HydrophobicContact CD1-CG2 4.04Å; L302-V306 WeakPolarHBondContact O-CG2 3.43Å; L302-V306 PolarHBondContact O-N 2.78Å; R303-V306 PolarHBondContact O-N 3.29Å; V306-V309 PolarHBondContact O-N 2.93Å; V306-L310 HydrophobicContact CG1-CD1 3.87Å; V306-L310 HydrophobicContact CG1-CG 4.41Å; V306-L310 WeakPolarHBondContact O-CB 3.28Å; V306-L310 VanDerWaalsContact O-CG 3.31Å; V306-L310 WeakPolarHBondContact O-CG 3.18Å; V306-L310 PolarHBondContact O-N 2.81Å |
| 307 | E | 96.4 | Very high | 95.9 | Very high | 37 Ų | 37 | 30.4 Ų | 30.4 | 17% | 0.173 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.5 | -37.6 | -179.1 | -70 | -78.3 | 157.6 | 0 | 0 | 112.8 | S57 R303 F305 V309 L310 R311 V372 F374 | S57-E307 PolarHBondContact OG-OE1 3.26Å; R303-E307 VanDerWaalsContact O-CB 3.26Å; R303-E307 WeakPolarHBondContact O-CB 3.35Å; R303-E307 WeakPolarHBondContact O-CG 3.17Å; R303-E307 PolarHBondContact O-N 3.37Å; F305-E307 VanDerWaalsContact C-N 3.34Å; F305-E307 PolarHBondContact O-N 3.2Å; E307-V309 VanDerWaalsContact C-N 3.34Å; E307-L310 PolarHBondContact O-N 3.18Å; E307-R311 VanDerWaalsContact O-CB 3.32Å; E307-R311 WeakPolarHBondContact O-CB 3.48Å; E307-R311 VanDerWaalsContact O-CG 3.31Å; E307-R311 WeakPolarHBondContact O-CG 3.1Å; E307-R311 PolarHBondContact O-N 3.44Å; E307-V372 HydrophobicContact CB-CG1 3.87Å; E307-V372 HydrophobicContact CB-CG2 3.94Å; E307-F374 HydrophobicContact CB-CE2 4.41Å; E307-F374 HydrophobicContact CB-CZ 4.49Å; E307-F374 HydrophobicContact CG-CE2 4.19Å; E307-F374 HydrophobicContact CG-CZ 3.86Å |
| 308 | S | 96 | Very high | 95.8 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.9 | -38.3 | 174.5 | -69 | 0 | 0 | 0 | 0 | 111.5 | S8 V304 F305 Y312 | S8-S308 WeakPolarHBondContact CB-OG 3.37Å; S8-S308 PolarHBondContact OG-OG 3.04Å; V304-S308 WeakPolarHBondContact O-CB 3.3Å; V304-S308 PolarHBondContact O-N 3.46Å; V304-S308 PolarHBondContact O-OG 2.98Å; F305-S308 PolarHBondContact O-N 3Å; S308-Y312 WeakPolarHBondContact O-CA 3.44Å; S308-Y312 WeakPolarHBondContact O-CB 3.4Å; S308-Y312 WeakPolarHBondContact O-CD2 3.5Å; S308-Y312 PolarHBondContact O-N 3.36Å |
| 309 | V | 95.8 | Very high | 95.8 | Very high | 8 Ų | 8 | 32.5 Ų | 32.5 | 5% | 0.048 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68 | -43.8 | 174.5 | 177 | 0 | 0 | 0 | 0 | 111.2 | V47 L53 F305 V306 E307 R311 G313 L314 V316 | V47-V309 HydrophobicContact CG1-CG1 3.87Å; L53-V309 HydrophobicContact CD1-CB 4.27Å; L53-V309 HydrophobicContact CD1-CG1 3.59Å; F305-V309 HydrophobicContact CD1-CG2 4.3Å; F305-V309 HydrophobicContact CE1-CG2 3.89Å; F305-V309 HydrophobicContact CZ-CG2 4.01Å; F305-V309 WeakPolarHBondContact O-CG2 3.22Å; F305-V309 PolarHBondContact O-N 3.24Å; V306-V309 PolarHBondContact O-N 2.93Å; E307-V309 VanDerWaalsContact C-N 3.34Å; V309-R311 VanDerWaalsContact C-N 3.27Å; V309-R311 PolarHBondContact O-N 3.18Å; V309-G313 VanDerWaalsContact O-CA 3.28Å; V309-G313 WeakPolarHBondContact O-CA 3.49Å; V309-G313 PolarHBondContact O-N 2.77Å; V309-L314 HydrophobicContact CG1-CD2 3.96Å; V309-L314 HydrophobicContact CG1-CG 4.39Å; V309-V316 HydrophobicContact CG2-CG1 4.48Å; V309-V316 HydrophobicContact CG2-CG2 3.98Å |
| 310 | L | 95 | Very high | 95.8 | Very high | 55 Ų | 55 | 32.6 Ų | 32.6 | 29% | 0.288 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -63.3 | -32.9 | 177.8 | -72 | 174.1 | 0 | 0 | 0 | 112.6 | L50 L53 V54 V306 E307 | L50-L310 HydrophobicContact CD1-CD2 3.5Å; L53-L310 HydrophobicContact CB-CD1 4.46Å; L53-L310 HydrophobicContact CB-CD2 3.75Å; L53-L310 HydrophobicContact CB-CG 4.15Å; L53-L310 HydrophobicContact CD1-CD2 4.25Å; V54-L310 HydrophobicContact CG2-CD2 4.01Å; V306-L310 HydrophobicContact CG1-CD1 3.87Å; V306-L310 HydrophobicContact CG1-CG 4.41Å; V306-L310 WeakPolarHBondContact O-CB 3.28Å; V306-L310 VanDerWaalsContact O-CG 3.31Å; V306-L310 WeakPolarHBondContact O-CG 3.18Å; V306-L310 PolarHBondContact O-N 2.81Å; E307-L310 PolarHBondContact O-N 3.18Å |
| 311 | R | 93.2 | Very high | 95.8 | Very high | 82 Ų | 82 | 32.6 Ų | 32.6 | 31% | 0.309 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -88.9 | -36.3 | 180 | -71.8 | -166.9 | -177.8 | -138.1 | 1.4 | 114.9 | E307 V309 F369 V372 | E307-R311 VanDerWaalsContact O-CB 3.32Å; E307-R311 WeakPolarHBondContact O-CB 3.48Å; E307-R311 VanDerWaalsContact O-CG 3.31Å; E307-R311 WeakPolarHBondContact O-CG 3.1Å; E307-R311 PolarHBondContact O-N 3.44Å; V309-R311 VanDerWaalsContact C-N 3.27Å; V309-R311 PolarHBondContact O-N 3.18Å; R311-F369 PolarHBondContact NH1-O 3.44Å; R311-V372 HydrophobicContact CG-CG2 4.45Å |
| 312 | Y | 93.7 | Very high | 95.8 | Very high | 54 Ų | 54 | 32.7 Ų | 32.7 | 21% | 0.212 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -107.3 | -9.7 | -171.6 | -48.9 | -41.1 | 0 | 0 | 0 | 113.3 | S8 P10 S308 F318 Y371 V372 | S8-Y312 PolarHBondContact O-OH 2.86Å; P10-Y312 HydrophobicContact CG-CD1 3.71Å; P10-Y312 HydrophobicContact CG-CE1 3.81Å; P10-Y312 HydrophobicContact CG-CG 4.09Å; S308-Y312 WeakPolarHBondContact O-CA 3.44Å; S308-Y312 WeakPolarHBondContact O-CB 3.4Å; S308-Y312 WeakPolarHBondContact O-CD2 3.5Å; S308-Y312 PolarHBondContact O-N 3.36Å; Y312-F318 HydrophobicContact CD2-CB 3.85Å; Y312-F318 HydrophobicContact CE2-CB 4.22Å; Y312-Y371 WeakPolarHBondContact OH-CA 3.21Å; Y312-V372 HydrophobicContact CE2-CG2 4.3Å; Y312-V372 PolarHBondContact OH-N 2.81Å |
| 313 | G | 92.4 | Very high | 95.7 | Very high | 32 Ų | 32 | 32.6 Ų | 32.6 | 33% | 0.33 | 17% | 0.174 | S | C | . | . | trans | 77.4 | -159.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | V309 | V309-G313 VanDerWaalsContact O-CA 3.28Å; V309-G313 WeakPolarHBondContact O-CA 3.49Å; V309-G313 PolarHBondContact O-N 2.77Å | ||
| 314 | L | 91.5 | Very high | 95.6 | Very high | 117 Ų | 117 | 32.6 Ų | 32.6 | 61% | 0.613 | 18% | 0.176 | S | C | * | . | S | Bend | trans | -119.2 | 150.7 | -179.8 | -67.8 | 176.6 | 0 | 0 | 0 | 110.9 | V47 V309 V316 | V47-L314 HydrophobicContact CG1-CD2 4.26Å; V47-L314 HydrophobicContact CG2-CD2 4.12Å; V309-L314 HydrophobicContact CG1-CD2 3.96Å; V309-L314 HydrophobicContact CG1-CG 4.39Å; L314-V316 HydrophobicContact CD2-CG2 3.77Å |
| 315 | P | 91.9 | Very high | 95.5 | Very high | 117 Ų | 117 | 33 Ų | 33 | 76% | 0.76 | 18% | 0.178 | S | C | * | . | S | Bend | cis | -66.5 | 159 | -3.3 | 30.7 | -36.6 | 0 | 0 | 0 | 112.6 | D317 | P315-D317 PolarHBondContact O-N 2.9Š|
| 316 | V | 92.8 | Very high | 95.3 | Very high | 44 Ų | 44 | 36.1 Ų | 36.1 | 27% | 0.267 | 20% | 0.195 | S | C | . | . | trans | -61.2 | 107.2 | -179.3 | -176.8 | 0 | 0 | 0 | 0 | 109.9 | V47 F305 V309 L314 F318 | V47-V316 HydrophobicContact CG2-CG2 3.83Å; F305-V316 HydrophobicContact CE2-CG1 3.99Å; F305-V316 HydrophobicContact CE2-CG2 4.45Å; F305-V316 HydrophobicContact CZ-CG2 4.18Å; V309-V316 HydrophobicContact CG2-CG1 4.48Å; V309-V316 HydrophobicContact CG2-CG2 3.98Å; L314-V316 HydrophobicContact CD2-CG2 3.77Å; V316-F318 HydrophobicContact CG1-CD1 3.65Å; V316-F318 HydrophobicContact CG1-CE1 3.46Å; V316-F318 VanDerWaalsContact CG1-CE1 3.46Å | ||
| 317 | D | 94.8 | Very high | 95 | Very high | 54 Ų | 54 | 42.5 Ų | 42.5 | 29% | 0.289 | 22% | 0.223 | S | C | . | . | trans | -138.8 | 84.8 | 178.6 | -175.7 | 29.9 | 0 | 0 | 0 | 110.6 | G11 E12 R13 P315 | G11-D317 WeakPolarHBondContact CA-OD1 3.09Å; G11-D317 PolarHBondContact N-O 3.07Å; E12-D317 PolarHBondContact N-OD2 3.3Å; R13-D317 PolarHBondContact N-OD2 3.37Å; P315-D317 PolarHBondContact O-N 2.9Å | ||
| 318 | F | 96.3 | Very high | 94.9 | Very high | 26 Ų | 26 | 50.1 Ų | 50.1 | 11% | 0.114 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 159.8 | 177 | 71.3 | -103 | 0 | 0 | 0 | 111.6 | S8 V9 I41 F305 Y312 V316 A320 | S8-F318 WeakPolarHBondContact OG-CD2 3.34Å; V9-F318 CarbonylContact O-C 2.97Å; V9-F318 VanDerWaalsContact O-CA 3.28Å; V9-F318 WeakPolarHBondContact O-CA 3.1Å; V9-F318 WeakPolarHBondContact O-CB 3.49Å; I41-F318 HydrophobicContact CD1-CE2 4.25Å; I41-F318 HydrophobicContact CG2-CZ 4.42Å; F305-F318 HydrophobicContact CB-CZ 4.41Å; F305-F318 AromaticContact CD2-CE1 3.86Å; F305-F318 HydrophobicContact CD2-CE1 3.86Å; F305-F318 AromaticContact CD2-CZ 3.73Å; F305-F318 HydrophobicContact CD2-CZ 3.73Å; F305-F318 HydrophobicContact CE2-CE1 4.24Å; F305-F318 HydrophobicContact CE2-CZ 4.46Å; F305-F318 HydrophobicContact CG-CZ 4.43Å; Y312-F318 HydrophobicContact CD2-CB 3.85Å; Y312-F318 HydrophobicContact CE2-CB 4.22Å; V316-F318 HydrophobicContact CG1-CD1 3.65Å; V316-F318 HydrophobicContact CG1-CE1 3.46Å; V316-F318 VanDerWaalsContact CG1-CE1 3.46Å; F318-A320 HydrophobicContact CE2-CB 4.23Å |
| 319 | Q | 97.3 | Very high | 94.8 | Very high | 19 Ų | 19 | 52.5 Ų | 52.5 | 9% | 0.089 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 119 | 171.3 | -176.6 | 57.9 | 72.2 | 0 | 0 | 110 | S8 V9 P15 I321 | S8-Q319 WeakPolarHBondContact CA-O 3.33Å; S8-Q319 PolarHBondContact OG-O 3.07Å; V9-Q319 PolarHBondContact N-O 2.71Å; V9-Q319 PolarHBondContact O-N 3.2Å; P15-Q319 HydrophobicContact CB-CB 4Å; P15-Q319 HydrophobicContact CB-CG 4.43Å; P15-Q319 VanDerWaalsContact CB-OE1 3.26Å; P15-Q319 WeakPolarHBondContact O-CG 3.4Å; P15-Q319 PolarHBondContact O-OE1 3.35Å; Q319-I321 HydrophobicContact CG-CD1 4.07Å; Q319-I321 HydrophobicContact CG-CG1 3.88Å |
| 320 | A | 98.1 | Very high | 94.7 | Very high | 3 Ų | 3 | 54.2 Ų | 54.2 | 3% | 0.025 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 137 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | I7 F39 I41 V304 F318 | I7-A320 CarbonylContact O-C 3.51Å; I7-A320 VanDerWaalsContact O-CA 3.3Å; I7-A320 WeakPolarHBondContact O-CA 3.46Å; F39-A320 HydrophobicContact CB-CB 4.18Å; F39-A320 HydrophobicContact CD1-CB 4.29Å; F39-A320 PolarHBondContact N-O 3.36Å; F39-A320 WeakPolarHBondContact O-CB 3.41Å; I41-A320 HydrophobicContact CD1-CB 3.67Å; I41-A320 HydrophobicContact CG1-CB 4.2Å; V304-A320 HydrophobicContact CG1-CB 3.95Å; F318-A320 HydrophobicContact CE2-CB 4.23Å |
| 321 | I | 98.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 130.4 | -171.6 | -51.3 | 177.4 | 0 | 0 | 0 | 109 | I6 I7 Y19 L22 V36 N37 Q319 L323 | I6-I321 WeakPolarHBondContact CA-O 3.14Å; I7-I321 HydrophobicContact CG1-CB 4.05Å; I7-I321 PolarHBondContact N-O 2.91Å; I7-I321 PolarHBondContact O-N 2.99Å; Y19-I321 HydrophobicContact CD2-CD1 4Å; Y19-I321 HydrophobicContact CD2-CG1 4.03Å; Y19-I321 HydrophobicContact CD2-CG2 4.15Å; Y19-I321 HydrophobicContact CE2-CG2 4.18Å; L22-I321 HydrophobicContact CB-CD1 4.3Å; L22-I321 HydrophobicContact CD2-CB 4.48Å; L22-I321 HydrophobicContact CD2-CD1 3.55Å; L22-I321 HydrophobicContact CD2-CG2 4.16Å; V36-I321 HydrophobicContact CG1-CG2 3.8Å; N37-I321 CarbonylContact O-C 3.35Å; N37-I321 WeakPolarHBondContact O-CA 3.38Å; N37-I321 WeakPolarHBondContact O-CG2 3.17Å; Q319-I321 HydrophobicContact CG-CD1 4.07Å; Q319-I321 HydrophobicContact CG-CG1 3.88Å; I321-L323 HydrophobicContact CG2-CD2 3.89Å |
| 322 | L | 98.1 | Very high | 94.8 | Very high | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 128.6 | 172.7 | -172.6 | 78 | 0 | 0 | 0 | 109.7 | F4 W5 I6 V36 N37 F39 L104 T105 | F4-L322 HydrophobicContact CB-CD1 3.87Å; F4-L322 HydrophobicContact CD1-CD1 4.03Å; F4-L322 HydrophobicContact CD1-CD2 3.74Å; F4-L322 HydrophobicContact CD1-CG 3.77Å; F4-L322 HydrophobicContact CE1-CD2 4.03Å; F4-L322 HydrophobicContact CE1-CG 4.49Å; F4-L322 HydrophobicContact CG-CD1 4.3Å; W5-L322 CarbonylContact O-C 3.57Å; W5-L322 WeakPolarHBondContact O-CA 3.47Å; I6-L322 HydrophobicContact CG1-CD1 3.68Å; V36-L322 WeakPolarHBondContact CA-O 3.42Å; N37-L322 HydrophobicContact CB-CB 4.42Å; N37-L322 PolarHBondContact N-O 3.28Å; N37-L322 PolarHBondContact O-N 3.19Å; F39-L322 HydrophobicContact CB-CB 4.3Å; L104-L322 HydrophobicContact CD1-CD1 4.2Å; L104-L322 HydrophobicContact CD2-CD1 3.96Å; L104-L322 HydrophobicContact CD2-CD2 4.48Å; L104-L322 HydrophobicContact CG-CD1 3.84Å; L104-L322 HydrophobicContact CG-CD2 3.9Å; T105-L322 HydrophobicContact CG2-CD2 3.96Å |
| 323 | L | 97.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 138.5 | 177.8 | -54.6 | 179.5 | 0 | 0 | 0 | 109.8 | F4 W5 I7 L22 L26 Q35 V36 I321 P325 L337 | F4-L323 CarbonylContact C-O 3.33Å; F4-L323 VanDerWaalsContact CA-O 3.29Å; F4-L323 WeakPolarHBondContact CA-O 3.46Å; W5-L323 HydrophobicContact CB-CB 4.31Å; W5-L323 PolarHBondContact N-O 2.77Å; W5-L323 PolarHBondContact O-N 3.04Å; I7-L323 HydrophobicContact CD1-CD1 3.87Å; I7-L323 HydrophobicContact CG1-CD1 4.16Å; I7-L323 HydrophobicContact CG1-CG 4.48Å; I7-L323 HydrophobicContact CG2-CD1 4.29Å; L22-L323 HydrophobicContact CD2-CD2 4.3Å; L26-L323 HydrophobicContact CD1-CD1 4.43Å; L26-L323 HydrophobicContact CD1-CD2 3.77Å; Q35-L323 WeakPolarHBondContact O-CA 3.33Å; V36-L323 HydrophobicContact CB-CD2 4.21Å; V36-L323 HydrophobicContact CG1-CD2 3.81Å; V36-L323 HydrophobicContact CG2-CD2 3.89Å; I321-L323 HydrophobicContact CG2-CD2 3.89Å; L323-P325 VanDerWaalsContact C-CD 3.45Å; L323-P325 WeakPolarHBondContact O-CD 3.37Å; L323-L337 HydrophobicContact CD1-CD1 4.04Å; L323-L337 HydrophobicContact CD1-CD2 4.36Å |
| 324 | E | 95.8 | Very high | 95.1 | Very high | 35 Ų | 35 | 57.7 Ų | 57.7 | 16% | 0.164 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 84.8 | 169.7 | -169.3 | 180 | 177.9 | 0 | 0 | 109.9 | T2 F4 S34 Q35 | T2-E324 HydrophobicContact CG2-CG 4.19Å; T2-E324 VanDerWaalsContact CG2-OE1 3.26Å; T2-E324 WeakPolarHBondContact CG2-OE1 3.31Å; F4-E324 HydrophobicContact CD1-CB 3.89Å; F4-E324 HydrophobicContact CD1-CG 4.25Å; F4-E324 HydrophobicContact CE1-CB 3.59Å; F4-E324 HydrophobicContact CE1-CG 3.8Å; F4-E324 HydrophobicContact CE2-CG 4.44Å; F4-E324 HydrophobicContact CZ-CB 4.21Å; F4-E324 HydrophobicContact CZ-CG 3.9Å; S34-E324 PolarHBondContact N-O 3.47Å; S34-E324 WeakPolarHBondContact OG-CB 3.3Å; S34-E324 VanDerWaalsContact OG-CG 3.27Å; S34-E324 WeakPolarHBondContact OG-CG 3.39Å; S34-E324 PolarHBondContact OG-O 3.46Å; S34-E324 VanDerWaalsContact OG-O 3.12Å; S34-E324 PolarHBondContact OG-OE2 3.29Å; Q35-E324 HydrophobicContact CB-CB 3.8Å; Q35-E324 HydrophobicContact CG-CB 4.27Å; Q35-E324 WeakPolarHBondContact CG-OE2 3.44Å; Q35-E324 PolarHBondContact NE2-OE2 2.97Å; Q35-E324 PolarHBondContact O-N 3.47Å |
| 325 | P | 95.5 | Very high | 95.3 | Very high | 9 Ų | 9 | 55.8 Ų | 55.8 | 6% | 0.058 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 141.9 | 178.4 | 27.7 | -38.9 | 0 | 0 | 0 | 112.6 | E3 W5 L323 K327 Q330 L333 | E3-P325 VanDerWaalsContact O-CD 3.26Å; E3-P325 WeakPolarHBondContact O-CD 3.33Å; E3-P325 WeakPolarHBondContact O-CG 3.39Å; W5-P325 HydrophobicContact CD2-CB 4.22Å; W5-P325 HydrophobicContact CD2-CG 3.8Å; W5-P325 HydrophobicContact CE3-CB 4.31Å; W5-P325 HydrophobicContact CE3-CG 4.35Å; W5-P325 HydrophobicContact CG-CG 4.09Å; W5-P325 HydrophobicContact CH2-CB 4.24Å; W5-P325 HydrophobicContact CZ2-CB 4.07Å; W5-P325 HydrophobicContact CZ2-CG 4.08Å; W5-P325 HydrophobicContact CZ3-CB 4.35Å; L323-P325 VanDerWaalsContact C-CD 3.45Å; L323-P325 WeakPolarHBondContact O-CD 3.37Å; P325-K327 PolarHBondContact O-N 2.78Å; P325-Q330 HydrophobicContact CB-CG 4.12Å; P325-L333 HydrophobicContact CB-CD2 3.81Å |
| 326 | N | 93.9 | Very high | 95.5 | Very high | 64 Ų | 64 | 50.8 Ų | 50.8 | 34% | 0.342 | 24% | 0.237 | S | C | . | . | trans | -71.1 | 123.7 | 163.6 | -176.4 | -36 | 0 | 0 | 0 | 109.7 | D31 I32 K328 Q329 Q330 | D31-N326 WeakPolarHBondContact O-CB 3.46Å; D31-N326 PolarHBondContact O-ND2 3.05Å; I32-N326 WeakPolarHBondContact O-CB 3.2Å; I32-N326 PolarHBondContact O-N 2.83Å; N326-K328 PolarHBondContact O-N 3.16Å; N326-K328 PolarHBondContact OD1-N 2.96Å; N326-Q329 HydrophobicContact CB-CB 4.27Å; N326-Q329 CarbonylContact O-C 3.54Å; N326-Q329 PolarHBondContact O-N 3.28Å; N326-Q330 WeakPolarHBondContact O-CG 3.21Å; N326-Q330 PolarHBondContact O-N 3.24Å | ||
| 327 | K | 91 | Very high | 95.7 | Very high | 134 Ų | 134 | 48.7 Ų | 48.7 | 58% | 0.583 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -48.6 | -36.5 | -179.8 | -174.4 | 173.5 | -179.7 | 174.7 | 0 | 113.7 | P325 | P325-K327 PolarHBondContact O-N 2.78Š|
| 328 | K | 93.8 | Very high | 95.6 | Very high | 197 Ų | 197 | 51.7 Ų | 51.7 | 86% | 0.857 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -16.1 | -178.8 | -65.3 | -175.8 | 179.6 | -179.6 | 0 | 113.8 | N326 | N326-K328 PolarHBondContact O-N 3.16Å; N326-K328 PolarHBondContact OD1-N 2.96Å |
| 329 | Q | 93.7 | Very high | 95.5 | Very high | 50 Ų | 50 | 58.2 Ų | 58.2 | 23% | 0.234 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | 13.6 | -171.8 | -58.9 | -169.6 | -11.4 | 0 | 0 | 113.2 | D31 I32 N326 K331 K332 L333 | D31-Q329 PolarHBondContact O-OE1 2.91Å; D31-Q329 PolarHBondContact OD2-NE2 3.12Å; D31-Q329 PolarHBondContact OD2-OE1 3.06Å; D31-Q329 VanDerWaalsContact OD2-OE1 3.11Å; I32-Q329 HydrophobicContact CB-CB 4.42Å; I32-Q329 HydrophobicContact CG1-CB 4.34Å; I32-Q329 HydrophobicContact CG2-CB 4.27Å; N326-Q329 HydrophobicContact CB-CB 4.27Å; N326-Q329 CarbonylContact O-C 3.54Å; N326-Q329 PolarHBondContact O-N 3.28Å; Q329-K331 VanDerWaalsContact C-N 3.29Å; Q329-K331 PolarHBondContact O-N 3.04Å; Q329-K332 WeakPolarHBondContact O-CB 3.43Å; Q329-K332 PolarHBondContact O-N 3.24Å; Q329-L333 PolarHBondContact O-N 3.43Å |
| 330 | Q | 94.1 | Very high | 95.4 | Very high | 45 Ų | 45 | 59.6 Ų | 59.6 | 21% | 0.21 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -53.2 | -42.7 | 179 | -69.7 | -171.2 | -25 | 0 | 0 | 113.1 | E3 W5 P325 N326 K332 L333 R334 | E3-Q330 PolarHBondContact OE1-NE2 3.49Å; W5-Q330 HydrophobicContact CH2-CB 3.85Å; W5-Q330 HydrophobicContact CH2-CG 4.13Å; W5-Q330 HydrophobicContact CZ2-CB 3.83Å; W5-Q330 HydrophobicContact CZ2-CG 3.74Å; P325-Q330 HydrophobicContact CB-CG 4.12Å; N326-Q330 WeakPolarHBondContact O-CG 3.21Å; N326-Q330 PolarHBondContact O-N 3.24Å; Q330-K332 PolarHBondContact O-N 2.92Å; Q330-L333 WeakPolarHBondContact O-CB 3.47Å; Q330-L333 PolarHBondContact O-N 2.9Å; Q330-R334 WeakPolarHBondContact O-CG 3.21Å; Q330-R334 PolarHBondContact O-N 3.13Å |
| 331 | K | 94.7 | Very high | 95.2 | Very high | 166 Ų | 166 | 59.6 Ų | 59.6 | 72% | 0.722 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -58.7 | -47.1 | 176.7 | -173.2 | 178.9 | 178.8 | -179.9 | 0 | 111.7 | Q329 L333 R334 D335 | Q329-K331 VanDerWaalsContact C-N 3.29Å; Q329-K331 PolarHBondContact O-N 3.04Å; K331-L333 VanDerWaalsContact C-N 3.3Å; K331-L333 PolarHBondContact O-N 3.19Å; K331-R334 WeakPolarHBondContact O-CB 3.44Å; K331-R334 PolarHBondContact O-N 2.88Å; K331-R334 VanDerWaalsContact O-N 3.12Å; K331-D335 PolarHBondContact O-N 3.08Å |
| 332 | K | 95.6 | Very high | 95 | Very high | 97 Ų | 97 | 63.3 Ų | 63.3 | 42% | 0.422 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.7 | -35.7 | 178.3 | -162.8 | -178.8 | 169.9 | -167.1 | 0 | 111.6 | I32 Q329 Q330 D335 I336 | I32-K332 HydrophobicContact CD1-CB 4.29Å; I32-K332 HydrophobicContact CD1-CD 3.41Å; I32-K332 VanDerWaalsContact CD1-CD 3.41Å; I32-K332 VanDerWaalsContact CD1-CE 3.4Å; I32-K332 HydrophobicContact CD1-CG 3.71Å; I32-K332 HydrophobicContact CG1-CD 3.97Å; Q329-K332 WeakPolarHBondContact O-CB 3.43Å; Q329-K332 PolarHBondContact O-N 3.24Å; Q330-K332 PolarHBondContact O-N 2.92Å; K332-D335 PolarHBondContact O-N 3.09Å; K332-I336 WeakPolarHBondContact O-CG1 3.37Å; K332-I336 PolarHBondContact O-N 3.46Å; K332-I336 VanDerWaalsContact O-N 3.08Å |
| 333 | L | 96.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 173.1 | -170.8 | 51.2 | 0 | 0 | 0 | 111.9 | W5 L26 I32 C33 P325 Q329 Q330 K331 D335 I336 L337 | W5-L333 HydrophobicContact CE3-CD2 3.69Å; W5-L333 HydrophobicContact CE3-CG 4.25Å; W5-L333 HydrophobicContact CH2-CB 4.26Å; W5-L333 HydrophobicContact CH2-CD2 4.23Å; W5-L333 HydrophobicContact CH2-CG 4.47Å; W5-L333 HydrophobicContact CZ3-CB 3.87Å; W5-L333 HydrophobicContact CZ3-CD2 3.4Å; W5-L333 HydrophobicContact CZ3-CG 3.62Å; L26-L333 HydrophobicContact CD1-CD1 4.17Å; L26-L333 HydrophobicContact CD2-CD1 3.45Å; L26-L333 VanDerWaalsContact CD2-CD1 3.45Å; L26-L333 HydrophobicContact CG-CD1 4.49Å; I32-L333 HydrophobicContact CG2-CB 3.5Å; I32-L333 VanDerWaalsContact CG2-CB 3.5Å; I32-L333 HydrophobicContact CG2-CD1 3.96Å; I32-L333 HydrophobicContact CG2-CG 4.16Å; C33-L333 HydrophobicContact CB-CD1 4.21Å; C33-L333 HydrophobicContact CB-CD2 4.11Å; P325-L333 HydrophobicContact CB-CD2 3.81Å; Q329-L333 PolarHBondContact O-N 3.43Å; Q330-L333 WeakPolarHBondContact O-CB 3.47Å; Q330-L333 PolarHBondContact O-N 2.9Å; K331-L333 VanDerWaalsContact C-N 3.3Å; K331-L333 PolarHBondContact O-N 3.19Å; L333-D335 VanDerWaalsContact C-N 3.3Å; L333-D335 PolarHBondContact O-N 3.14Å; L333-I336 PolarHBondContact O-N 3.49Å; L333-L337 HydrophobicContact CD1-CD1 4.48Å; L333-L337 HydrophobicContact CD1-CG 4.36Å; L333-L337 HydrophobicContact CG-CD1 4.16Å; L333-L337 HydrophobicContact CG-CG 4.48Å; L333-L337 WeakPolarHBondContact O-CG 3.44Å; L333-L337 PolarHBondContact O-N 2.99Å |
| 334 | R | 96.4 | Very high | 94.3 | Very high | 32 Ų | 32 | 68.6 Ų | 68.6 | 12% | 0.121 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.5 | -40.6 | 174.2 | -67.8 | -54.9 | -169.7 | -150.9 | 6.8 | 111.7 | W5 Q330 K331 I336 L337 K338 F369 S373 | W5-R334 VanDerWaalsContact CE3-CZ 3.5Å; W5-R334 HydrophobicContact CH2-CG 3.95Å; W5-R334 HydrophobicContact CZ3-CG 4.27Å; Q330-R334 WeakPolarHBondContact O-CG 3.21Å; Q330-R334 PolarHBondContact O-N 3.13Å; K331-R334 WeakPolarHBondContact O-CB 3.44Å; K331-R334 PolarHBondContact O-N 2.88Å; K331-R334 VanDerWaalsContact O-N 3.12Å; R334-I336 PolarHBondContact O-N 3.49Å; R334-L337 PolarHBondContact O-N 2.83Å; R334-K338 VanDerWaalsContact O-CB 3.27Å; R334-K338 WeakPolarHBondContact O-CB 3.34Å; R334-K338 PolarHBondContact O-N 3.06Å; R334-F369 VanDerWaalsContact CD-CE1 3.46Å; R334-F369 HydrophobicContact CG-CE1 4.15Å; R334-S373 PolarHBondContact NH1-OG 3.24Å; R334-S373 PolarHBondContact NH2-OG 3.47Å |
| 335 | D | 95.5 | Very high | 93.8 | Very high | 77 Ų | 77 | 69.7 Ų | 69.7 | 41% | 0.412 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 176.8 | -64 | -30.6 | 0 | 0 | 0 | 111.6 | K331 K332 L333 K338 Q339 | K331-D335 PolarHBondContact O-N 3.08Å; K332-D335 PolarHBondContact O-N 3.09Å; L333-D335 VanDerWaalsContact C-N 3.3Å; L333-D335 PolarHBondContact O-N 3.14Å; D335-K338 PolarHBondContact O-N 3.4Å; D335-Q339 WeakPolarHBondContact O-CG 3.33Å; D335-Q339 PolarHBondContact O-N 3.43Å |
| 336 | I | 95.8 | Very high | 92.5 | Very high | 13 Ų | 13 | 71.9 Ų | 71.9 | 7% | 0.067 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.5 | -47.7 | 175.9 | -67.3 | 164.5 | 0 | 0 | 0 | 111.2 | T25 L26 Y29 I32 K332 L333 R334 K338 Q339 L340 | T25-I336 HydrophobicContact CG2-CG2 4.15Å; L26-I336 HydrophobicContact CD2-CG2 3.97Å; Y29-I336 HydrophobicContact CD1-CD1 4.23Å; Y29-I336 HydrophobicContact CD2-CD1 3.77Å; Y29-I336 HydrophobicContact CE1-CD1 4.38Å; Y29-I336 HydrophobicContact CE2-CD1 3.95Å; Y29-I336 HydrophobicContact CG-CD1 3.92Å; I32-I336 HydrophobicContact CD1-CD1 3.43Å; I32-I336 VanDerWaalsContact CD1-CD1 3.43Å; K332-I336 WeakPolarHBondContact O-CG1 3.37Å; K332-I336 PolarHBondContact O-N 3.46Å; K332-I336 VanDerWaalsContact O-N 3.08Å; L333-I336 PolarHBondContact O-N 3.49Å; R334-I336 PolarHBondContact O-N 3.49Å; I336-K338 VanDerWaalsContact C-N 3.32Å; I336-K338 PolarHBondContact O-N 2.88Å; I336-Q339 PolarHBondContact O-N 3.44Å; I336-L340 HydrophobicContact CG2-CD1 4.27Å; I336-L340 WeakPolarHBondContact O-CG 3.13Å; I336-L340 PolarHBondContact O-N 3.46Å |
| 337 | L | 96.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.6 | -39.5 | 178.7 | -68 | 172.2 | 0 | 0 | 0 | 111.3 | W5 I7 L22 L323 L333 R334 L340 Y341 Y371 | W5-L337 HydrophobicContact CE3-CD1 4.44Å; W5-L337 HydrophobicContact CZ3-CD1 4.38Å; I7-L337 HydrophobicContact CD1-CD2 3.96Å; L22-L337 HydrophobicContact CD1-CD2 3.8Å; L323-L337 HydrophobicContact CD1-CD1 4.04Å; L323-L337 HydrophobicContact CD1-CD2 4.36Å; L333-L337 HydrophobicContact CD1-CD1 4.48Å; L333-L337 HydrophobicContact CD1-CG 4.36Å; L333-L337 HydrophobicContact CG-CD1 4.16Å; L333-L337 HydrophobicContact CG-CG 4.48Å; L333-L337 WeakPolarHBondContact O-CG 3.44Å; L333-L337 PolarHBondContact O-N 2.99Å; R334-L337 PolarHBondContact O-N 2.83Å; L337-L340 PolarHBondContact O-N 3.16Å; L337-Y341 HydrophobicContact CB-CD2 4.46Å; L337-Y341 HydrophobicContact CD2-CD2 4.34Å; L337-Y341 HydrophobicContact CD2-CE2 3.93Å; L337-Y341 WeakPolarHBondContact O-CB 3.38Å; L337-Y341 WeakPolarHBondContact O-CD2 3.46Å; L337-Y341 PolarHBondContact O-N 2.88Å; L337-Y371 HydrophobicContact CB-CE1 3.68Å; L337-Y371 WeakPolarHBondContact CB-OH 3.28Å; L337-Y371 HydrophobicContact CD1-CE2 4.27Å; L337-Y371 WeakPolarHBondContact CD1-OH 3.25Å |
| 338 | K | 93.9 | Very high | 88.9 | Confident | 116 Ų | 116 | 67.9 Ų | 67.9 | 50% | 0.504 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.4 | -48.8 | 173.1 | -173.8 | 173.9 | -177.9 | 173.7 | 0 | 110.4 | R334 D335 I336 L340 Y341 N342 | R334-K338 VanDerWaalsContact O-CB 3.27Å; R334-K338 WeakPolarHBondContact O-CB 3.34Å; R334-K338 PolarHBondContact O-N 3.06Å; D335-K338 PolarHBondContact O-N 3.4Å; I336-K338 VanDerWaalsContact C-N 3.32Å; I336-K338 PolarHBondContact O-N 2.88Å; K338-L340 PolarHBondContact O-N 2.83Å; K338-Y341 PolarHBondContact O-N 3.46Å; K338-Y341 VanDerWaalsContact O-N 3.16Å; K338-N342 VanDerWaalsContact CE-OD1 3.3Å; K338-N342 WeakPolarHBondContact CE-OD1 3.38Å; K338-N342 HydrophobicContact CG-CB 4.29Å; K338-N342 WeakPolarHBondContact O-CA 3.2Å; K338-N342 WeakPolarHBondContact O-CB 3.36Å; K338-N342 PolarHBondContact O-N 3.16Å |
| 339 | Q | 94.3 | Very high | 86.6 | Confident | 163 Ų | 163 | 62.6 Ų | 62.6 | 76% | 0.762 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -56.8 | -38.4 | 177 | -75.1 | 175.5 | -3.8 | 0 | 0 | 113.1 | D335 I336 | D335-Q339 WeakPolarHBondContact O-CG 3.33Å; D335-Q339 PolarHBondContact O-N 3.43Å; I336-Q339 PolarHBondContact O-N 3.44Å |
| 340 | L | 94 | Very high | 84.2 | Confident | 48 Ų | 48 | 64.6 Ų | 64.6 | 25% | 0.251 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -71.4 | -37.6 | 178 | -70.3 | 173.2 | 0 | 0 | 0 | 113.1 | L22 T25 I336 L337 K338 H343 | L22-L340 HydrophobicContact CD1-CD1 3.59Å; T25-L340 HydrophobicContact CG2-CD1 4.05Å; T25-L340 HydrophobicContact CG2-CD2 4.37Å; I336-L340 HydrophobicContact CG2-CD1 4.27Å; I336-L340 WeakPolarHBondContact O-CG 3.13Å; I336-L340 PolarHBondContact O-N 3.46Å; L337-L340 PolarHBondContact O-N 3.16Å; K338-L340 PolarHBondContact O-N 2.83Å; L340-H343 PolarHBondContact O-CE1 3.31Å; L340-H343 PolarHBondContact O-ND1 2.91Å; L340-H343 VanDerWaalsContact O-ND1 3.14Å |
| 341 | Y | 95 | Very high | 81.7 | Confident | 3 Ų | 3 | 67.1 Ų | 67.1 | 1% | 0.012 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -121.7 | 3.3 | -163.7 | -58.3 | -60.6 | 0 | 0 | 0 | 115.1 | V9 L22 L337 K338 H343 L344 P370 Y371 | V9-Y341 HydrophobicContact CB-CD1 4.4Å; V9-Y341 HydrophobicContact CB-CE1 4.01Å; V9-Y341 HydrophobicContact CG1-CD1 3.82Å; V9-Y341 HydrophobicContact CG1-CD2 4.08Å; V9-Y341 HydrophobicContact CG1-CE1 3.61Å; V9-Y341 HydrophobicContact CG1-CE2 3.91Å; V9-Y341 HydrophobicContact CG1-CG 4.05Å; V9-Y341 HydrophobicContact CG2-CE1 4.25Å; L22-Y341 HydrophobicContact CD1-CE2 4.29Å; L337-Y341 HydrophobicContact CB-CD2 4.46Å; L337-Y341 HydrophobicContact CD2-CD2 4.34Å; L337-Y341 HydrophobicContact CD2-CE2 3.93Å; L337-Y341 WeakPolarHBondContact O-CB 3.38Å; L337-Y341 WeakPolarHBondContact O-CD2 3.46Å; L337-Y341 PolarHBondContact O-N 2.88Å; K338-Y341 PolarHBondContact O-N 3.46Å; K338-Y341 VanDerWaalsContact O-N 3.16Å; Y341-H343 PolarHBondContact O-N 3.37Å; Y341-L344 HydrophobicContact CD1-CD1 4.33Å; Y341-L344 WeakPolarHBondContact O-CB 3.08Å; Y341-L344 WeakPolarHBondContact O-CG 3.43Å; Y341-L344 PolarHBondContact O-N 3.15Å; Y341-P370 VanDerWaalsContact O-CB 3.23Å; Y341-P370 WeakPolarHBondContact O-CB 3.28Å; Y341-Y371 AromaticContact CD2-CD1 3.91Å; Y341-Y371 HydrophobicContact CD2-CD1 3.91Å; Y341-Y371 HydrophobicContact CD2-CE1 4.3Å; Y341-Y371 HydrophobicContact CD2-CG 4.47Å; Y341-Y371 HydrophobicContact CG-CD1 4.18Å |
| 342 | N | 93 | Very high | 79.1 | Confident | 78 Ų | 78 | 64.4 Ų | 64.4 | 42% | 0.417 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -21.7 | 179.2 | -167.4 | 82.2 | 0 | 0 | 0 | 113.6 | K338 L344 D345 | K338-N342 VanDerWaalsContact CE-OD1 3.3Å; K338-N342 WeakPolarHBondContact CE-OD1 3.38Å; K338-N342 HydrophobicContact CG-CB 4.29Å; K338-N342 WeakPolarHBondContact O-CA 3.2Å; K338-N342 WeakPolarHBondContact O-CB 3.36Å; K338-N342 PolarHBondContact O-N 3.16Å; N342-L344 PolarHBondContact O-N 3.14Å; N342-D345 PolarHBondContact O-N 3.07Å |
| 343 | H | 91.6 | Very high | 76.3 | Confident | 105 Ų | 105 | 67 Ų | 67 | 49% | 0.486 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -18.6 | 175.6 | 64.2 | -89 | 0 | 0 | 0 | 113.1 | L340 Y341 D345 G346 | L340-H343 PolarHBondContact O-CE1 3.31Å; L340-H343 PolarHBondContact O-ND1 2.91Å; L340-H343 VanDerWaalsContact O-ND1 3.14Å; Y341-H343 PolarHBondContact O-N 3.37Å; H343-D345 VanDerWaalsContact C-N 3.32Å; H343-D345 PolarHBondContact O-N 3.09Å; H343-G346 PolarHBondContact O-N 3.49Å |
| 344 | L | 90.3 | Very high | 73.2 | Confident | 9 Ų | 9 | 74.3 Ų | 74.3 | 5% | 0.047 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -72.4 | -22.1 | -179.8 | -61.4 | -179.9 | 0 | 0 | 0 | 113.7 | P10 Y341 N342 G346 S347 S348 P370 | P10-L344 HydrophobicContact CG-CD1 4.26Å; P10-L344 HydrophobicContact CG-CD2 3.75Å; Y341-L344 HydrophobicContact CD1-CD1 4.33Å; Y341-L344 WeakPolarHBondContact O-CB 3.08Å; Y341-L344 WeakPolarHBondContact O-CG 3.43Å; Y341-L344 PolarHBondContact O-N 3.15Å; N342-L344 PolarHBondContact O-N 3.14Å; L344-G346 PolarHBondContact O-N 2.92Å; L344-S347 WeakPolarHBondContact CA-OG 3.34Å; L344-S347 PolarHBondContact O-N 3.02Å; L344-S347 PolarHBondContact O-OG 3.16Å; L344-S348 PolarHBondContact O-N 3.01Å; L344-S348 PolarHBondContact O-OG 3.11Å; L344-P370 HydrophobicContact CB-CB 4.02Å; L344-P370 VanDerWaalsContact CB-O 3.32Å; L344-P370 WeakPolarHBondContact CB-O 3.49Å; L344-P370 WeakPolarHBondContact CD1-O 3.4Å |
| 345 | D | 84.2 | Confident | 70.5 | Confident | 57 Ų | 57 | 82.2 Ų | 82.2 | 31% | 0.305 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.8 | -29.8 | 176.9 | -74.8 | -12 | 0 | 0 | 0 | 111.8 | N342 H343 Y368 P370 | N342-D345 PolarHBondContact O-N 3.07Å; H343-D345 VanDerWaalsContact C-N 3.32Å; H343-D345 PolarHBondContact O-N 3.09Å; D345-Y368 WeakPolarHBondContact OD1-CE1 3.26Å; D345-Y368 PolarHBondContact OD1-OH 3.2Å; D345-P370 WeakPolarHBondContact OD1-CA 3.33Å; D345-P370 WeakPolarHBondContact OD1-CB 3.28Å; D345-P370 WeakPolarHBondContact OD1-CG 3.4Å |
| 346 | G | 69.5 | Low | 67.6 | Low | 55 Ų | 55 | 86.2 Ų | 86.2 | 57% | 0.567 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -90.2 | -18 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | H343 L344 | H343-G346 PolarHBondContact O-N 3.49Å; L344-G346 PolarHBondContact O-N 2.92Å |
| 347 | S | 58.3 | Low | 64.5 | Low | 56 Ų | 56 | 92.9 Ų | 92.9 | 39% | 0.392 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -93.2 | -21.9 | -178.1 | 61.3 | 0 | 0 | 0 | 0 | 113.7 | L344 S350 | L344-S347 WeakPolarHBondContact CA-OG 3.34Å; L344-S347 PolarHBondContact O-N 3.02Å; L344-S347 PolarHBondContact O-OG 3.16Å; S347-S350 PolarHBondContact O-OG 2.6Å; S347-S350 VanDerWaalsContact O-OG 3.07Å |
| 348 | S | 51.1 | Low | 61.5 | Low | 58 Ų | 58 | 100.7 Ų | 100.7 | 41% | 0.406 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -81.8 | -25.1 | -177.9 | 42.1 | 0 | 0 | 0 | 0 | 113 | L344 | L344-S348 PolarHBondContact O-N 3.01Å; L344-S348 PolarHBondContact O-OG 3.11Å |
| 349 | S | 45.2 | Very low | 58.5 | Low | 87 Ų | 87 | 100 Ų | 100 | 61% | 0.608 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -12 | 176 | 48.8 | 0 | 0 | 0 | 0 | 114.4 | ||
| 350 | S | 41.8 | Very low | 55.4 | Low | 92 Ų | 92 | 95.1 Ų | 95.1 | 64% | 0.643 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -5.5 | -175 | 60.7 | 0 | 0 | 0 | 0 | 114.9 | S347 | S347-S350 PolarHBondContact O-OG 2.6Å; S347-S350 VanDerWaalsContact O-OG 3.07Å |
| 351 | S | 43 | Very low | 52.7 | Low | 97 Ų | 97 | 96.4 Ų | 96.4 | 68% | 0.678 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -113.3 | -16.7 | -168.8 | -58.1 | 0 | 0 | 0 | 0 | 116.6 | ||
| 352 | V | 40 | Very low | 49.7 | Very low | 110 Ų | 110 | 106.2 Ų | 106.2 | 67% | 0.667 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -154.1 | 124.2 | 170.9 | -162.5 | 0 | 0 | 0 | 0 | 110.3 | ||
| 353 | L | 36 | Very low | 46.7 | Very low | 150 Ų | 150 | 105.3 Ų | 105.3 | 79% | 0.785 | 64% | 0.637 | S | S | * | * | trans | 94.6 | 109.7 | 166.6 | -49.8 | -179.2 | 0 | 0 | 0 | 116.8 | ||||
| 354 | D | 33.1 | Very low | 44 | Very low | 155 Ų | 155 | 106.6 Ų | 106.6 | 83% | 0.829 | 65% | 0.652 | S | S | * | * | trans | -41.7 | 151.6 | 166 | -66.7 | -53.4 | 0 | 0 | 0 | 113.8 | D356 | D354-D356 PolarHBondContact O-N 3.45Š| ||
| 355 | E | 39.5 | Very low | 41.6 | Very low | 198 Ų | 198 | 112.3 Ų | 112.3 | 93% | 0.925 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.3 | 11.8 | -165.4 | -68.5 | -176.1 | 132.9 | 0 | 0 | 118.9 | ||
| 356 | D | 34.1 | Very low | 40.2 | Very low | 160 Ų | 160 | 114.4 Ų | 114.4 | 86% | 0.856 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.9 | 17.9 | -172.7 | -80.7 | -31.5 | 0 | 0 | 0 | 115.9 | D354 | D354-D356 PolarHBondContact O-N 3.45Š|
| 357 | M | 30.8 | Very low | 40.5 | Very low | 154 Ų | 154 | 116.9 Ų | 116.9 | 76% | 0.759 | 71% | 0.712 | S | S | * | * | trans | -127.9 | 66.2 | 167.9 | -86.7 | -155.1 | 170.8 | 0 | 0 | 112 | V359 | M357-V359 HydrophobicContact CB-CG2 3.92Å; M357-V359 HydrophobicContact CG-CG2 4.02Å; M357-V359 PolarHBondContact O-N 2.86Å; M357-V359 HydrophobicContact SD-CG2 3.8Å | ||
| 358 | N | 32.5 | Very low | 41.8 | Very low | 164 Ų | 164 | 121 Ų | 121 | 88% | 0.877 | 72% | 0.72 | S | S | * | * | trans | -66.4 | 71 | 148.2 | -157.3 | 7.9 | 0 | 0 | 0 | 107.8 | G360 | N358-G360 PolarHBondContact O-N 2.72Š| ||
| 359 | V | 31.5 | Very low | 43.8 | Very low | 100 Ų | 100 | 119.9 Ų | 119.9 | 61% | 0.606 | 71% | 0.708 | S | S | * | * | trans | -68.7 | 83.9 | 170.1 | 175.8 | 0 | 0 | 0 | 0 | 106 | M357 G361 | M357-V359 HydrophobicContact CB-CG2 3.92Å; M357-V359 HydrophobicContact CG-CG2 4.02Å; M357-V359 PolarHBondContact O-N 2.86Å; M357-V359 HydrophobicContact SD-CG2 3.8Å; V359-G361 PolarHBondContact O-N 3.48Å | ||
| 360 | G | 28.4 | Very low | 46 | Very low | 61 Ų | 61 | 116.2 Ų | 116.2 | 63% | 0.629 | 68% | 0.682 | S | S | * | * | trans | -56.1 | 130.1 | 161.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | N358 | N358-G360 PolarHBondContact O-N 2.72Š| ||
| 361 | G | 37.9 | Very low | 48.6 | Very low | 75 Ų | 75 | 112 Ų | 112 | 77% | 0.773 | 65% | 0.652 | S | S | * | * | trans | 60.4 | 76.5 | 149.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | V359 | V359-G361 PolarHBondContact O-N 3.48Š| ||
| 362 | F | 32 | Very low | 51.1 | Low | 210 Ų | 210 | 107.5 Ų | 107.5 | 92% | 0.921 | 62% | 0.62 | S | S | * | * | trans | -133.9 | 111.7 | 152.8 | -124.2 | -96.8 | 0 | 0 | 0 | 109.6 | ||||
| 363 | G | 30.9 | Very low | 53.8 | Low | 59 Ų | 59 | 103.4 Ų | 103.4 | 61% | 0.608 | 60% | 0.597 | S | S | * | * | S | Bend | trans | 117.3 | 86.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | S365 | G363-S365 PolarHBondContact O-N 3.42Š|
| 364 | T | 34.8 | Very low | 56.7 | Low | 131 Ų | 131 | 97.6 Ų | 97.6 | 80% | 0.804 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 25.1 | 95.4 | 146.2 | 59 | 0 | 0 | 0 | 0 | 117.4 | S366 | T364-S366 PolarHBondContact O-N 3.13Š|
| 365 | S | 38.3 | Very low | 59.6 | Low | 129 Ų | 129 | 94 Ų | 94 | 90% | 0.902 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 27.4 | 48.8 | 153.8 | 58.2 | 0 | 0 | 0 | 0 | 117 | G363 | G363-S365 PolarHBondContact O-N 3.42Š|
| 366 | S | 55.3 | Low | 62.2 | Low | 101 Ų | 101 | 84.6 Ų | 84.6 | 71% | 0.706 | 50% | 0.498 | S | S | * | . | trans | -91.1 | 131.7 | 175.9 | -170.4 | 0 | 0 | 0 | 0 | 108 | T364 Y368 | T364-S366 PolarHBondContact O-N 3.13Å; S366-Y368 PolarHBondContact O-N 2.85Å | ||
| 367 | D | 75.2 | Confident | 64.9 | Low | 107 Ų | 107 | 81.1 Ų | 81.1 | 57% | 0.572 | 48% | 0.477 | S | S | * | . | trans | -63.5 | 104.8 | 174.1 | -67.3 | -35.9 | 0 | 0 | 0 | 108.5 | F369 | D367-F369 HydrophobicContact CB-CD2 4.47Å; D367-F369 HydrophobicContact CB-CE1 4.29Å; D367-F369 HydrophobicContact CB-CE2 3.49Å; D367-F369 VanDerWaalsContact CB-CE2 3.49Å; D367-F369 HydrophobicContact CB-CZ 3.37Å; D367-F369 VanDerWaalsContact O-CD2 3.23Å; D367-F369 WeakPolarHBondContact O-CD2 3.44Å; D367-F369 WeakPolarHBondContact O-CE2 3.47Å | ||
| 368 | Y | 86.6 | Confident | 67.7 | Low | 142 Ų | 142 | 75.2 Ų | 75.2 | 56% | 0.557 | 45% | 0.448 | S | S | * | . | trans | -72.4 | 133.8 | 174 | 175.5 | -92.1 | 0 | 0 | 0 | 110.4 | D345 S366 | D345-Y368 WeakPolarHBondContact OD1-CE1 3.26Å; D345-Y368 PolarHBondContact OD1-OH 3.2Å; S366-Y368 PolarHBondContact O-N 2.85Å | ||
| 369 | F | 92.7 | Very high | 70.1 | Confident | 35 Ų | 35 | 69.9 Ų | 69.9 | 15% | 0.154 | 42% | 0.42 | C | S | . | . | trans | -129.3 | 151 | 171.9 | -54.5 | -72.5 | 0 | 0 | 0 | 110.3 | R311 R334 D367 Y371 | R311-F369 PolarHBondContact NH1-O 3.44Å; R334-F369 VanDerWaalsContact CD-CE1 3.46Å; R334-F369 HydrophobicContact CG-CE1 4.15Å; D367-F369 HydrophobicContact CB-CD2 4.47Å; D367-F369 HydrophobicContact CB-CE1 4.29Å; D367-F369 HydrophobicContact CB-CE2 3.49Å; D367-F369 VanDerWaalsContact CB-CE2 3.49Å; D367-F369 HydrophobicContact CB-CZ 3.37Å; D367-F369 VanDerWaalsContact O-CD2 3.23Å; D367-F369 WeakPolarHBondContact O-CD2 3.44Å; D367-F369 WeakPolarHBondContact O-CE2 3.47Å; F369-Y371 HydrophobicContact CB-CD1 4.25Å; F369-Y371 HydrophobicContact CB-CD2 4.22Å; F369-Y371 HydrophobicContact CB-CE1 4.02Å; F369-Y371 HydrophobicContact CB-CE2 3.96Å; F369-Y371 HydrophobicContact CB-CG 4.34Å; F369-Y371 WeakPolarHBondContact CB-O 3.36Å; F369-Y371 HydrophobicContact CG-CE2 4.21Å; F369-Y371 PolarHBondContact O-N 3.38Å | ||
| 370 | P | 92.2 | Very high | 72.4 | Confident | 11 Ų | 11 | 65.6 Ų | 65.6 | 7% | 0.071 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -61.4 | -12.2 | 173.9 | -20.9 | 30.5 | 0 | 0 | 0 | 114.3 | Y341 L344 D345 | Y341-P370 VanDerWaalsContact O-CB 3.23Å; Y341-P370 WeakPolarHBondContact O-CB 3.28Å; L344-P370 HydrophobicContact CB-CB 4.02Å; L344-P370 VanDerWaalsContact CB-O 3.32Å; L344-P370 WeakPolarHBondContact CB-O 3.49Å; L344-P370 WeakPolarHBondContact CD1-O 3.4Å; D345-P370 WeakPolarHBondContact OD1-CA 3.33Å; D345-P370 WeakPolarHBondContact OD1-CB 3.28Å; D345-P370 WeakPolarHBondContact OD1-CG 3.4Å |
| 371 | Y | 95.2 | Very high | 74.5 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.008 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -124.4 | 156.2 | -179.8 | 54.5 | -93.1 | 0 | 0 | 0 | 109.6 | I7 S8 V9 Y312 L337 Y341 F369 S373 | I7-Y371 HydrophobicContact CB-CD2 4.05Å; I7-Y371 HydrophobicContact CB-CE2 4.3Å; I7-Y371 HydrophobicContact CG2-CD2 4.01Å; I7-Y371 HydrophobicContact CG2-CE2 3.76Å; S8-Y371 WeakPolarHBondContact O-CB 3.4Å; V9-Y371 HydrophobicContact CG1-CG 4.47Å; Y312-Y371 WeakPolarHBondContact OH-CA 3.21Å; L337-Y371 HydrophobicContact CB-CE1 3.68Å; L337-Y371 WeakPolarHBondContact CB-OH 3.28Å; L337-Y371 HydrophobicContact CD1-CE2 4.27Å; L337-Y371 WeakPolarHBondContact CD1-OH 3.25Å; Y341-Y371 AromaticContact CD2-CD1 3.91Å; Y341-Y371 HydrophobicContact CD2-CD1 3.91Å; Y341-Y371 HydrophobicContact CD2-CE1 4.3Å; Y341-Y371 HydrophobicContact CD2-CG 4.47Å; Y341-Y371 HydrophobicContact CG-CD1 4.18Å; F369-Y371 HydrophobicContact CB-CD1 4.25Å; F369-Y371 HydrophobicContact CB-CD2 4.22Å; F369-Y371 HydrophobicContact CB-CE1 4.02Å; F369-Y371 HydrophobicContact CB-CE2 3.96Å; F369-Y371 HydrophobicContact CB-CG 4.34Å; F369-Y371 WeakPolarHBondContact CB-O 3.36Å; F369-Y371 HydrophobicContact CG-CE2 4.21Å; F369-Y371 PolarHBondContact O-N 3.38Å; Y371-S373 PolarHBondContact O-N 2.85Å |
| 372 | V | 96 | Very high | 75.7 | Confident | 3 Ų | 3 | 65.8 Ų | 65.8 | 2% | 0.018 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 132.4 | 175.1 | 177.2 | 0 | 0 | 0 | 0 | 108.7 | I7 S8 E307 R311 Y312 F374 | I7-V372 CarbonylContact C-O 3.49Å; I7-V372 WeakPolarHBondContact CA-O 3.25Å; S8-V372 PolarHBondContact N-O 2.93Å; S8-V372 PolarHBondContact O-N 2.92Å; E307-V372 HydrophobicContact CB-CG1 3.87Å; E307-V372 HydrophobicContact CB-CG2 3.94Å; R311-V372 HydrophobicContact CG-CG2 4.45Å; Y312-V372 HydrophobicContact CE2-CG2 4.3Å; Y312-V372 PolarHBondContact OH-N 2.81Å; V372-F374 HydrophobicContact CG1-CD2 3.97Å; V372-F374 HydrophobicContact CG1-CE2 3.46Å; V372-F374 VanDerWaalsContact CG1-CE2 3.46Å; V372-F374 HydrophobicContact CG1-CZ 4.25Å |
| 373 | S | 96.6 | Very high | 76.7 | Confident | 25 Ų | 25 | 62 Ų | 62 | 18% | 0.175 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 125.8 | 177.5 | -168.7 | 0 | 0 | 0 | 0 | 112 | I6 R334 Y371 | I6-S373 WeakPolarHBondContact O-CA 3.44Å; R334-S373 PolarHBondContact NH1-OG 3.24Å; R334-S373 PolarHBondContact NH2-OG 3.47Å; Y371-S373 PolarHBondContact O-N 2.85Å |
| 374 | F | 96.4 | Very high | 77 | Confident | 28 Ų | 28 | 73.6 Ų | 73.6 | 12% | 0.123 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 143.5 | 171.1 | -65.9 | -65.7 | 0 | 0 | 0 | 110.8 | W5 I6 R303 V304 E307 V372 | W5-F374 CarbonylContact C-O 3.59Å; W5-F374 WeakPolarHBondContact CA-O 3.39Å; I6-F374 PolarHBondContact N-O 3.16Å; I6-F374 PolarHBondContact O-N 3.35Å; R303-F374 HydrophobicContact CB-CD2 4.49Å; R303-F374 HydrophobicContact CB-CE2 4.01Å; R303-F374 HydrophobicContact CB-CZ 4.18Å; R303-F374 VanDerWaalsContact CZ-CE1 3.48Å; V304-F374 HydrophobicContact CG2-CD2 3.57Å; V304-F374 HydrophobicContact CG2-CE2 4.09Å; E307-F374 HydrophobicContact CB-CE2 4.41Å; E307-F374 HydrophobicContact CB-CZ 4.49Å; E307-F374 HydrophobicContact CG-CE2 4.19Å; E307-F374 HydrophobicContact CG-CZ 3.86Å; V372-F374 HydrophobicContact CG1-CD2 3.97Å; V372-F374 HydrophobicContact CG1-CE2 3.46Å; V372-F374 VanDerWaalsContact CG1-CE2 3.46Å; V372-F374 HydrophobicContact CG1-CZ 4.25Å |
| 375 | K | 94.7 | Very high | 79.1 | Confident | 79 Ų | 79 | 70.7 Ų | 70.7 | 34% | 0.343 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 148 | 171.5 | -62.6 | -175.1 | -179.6 | 177 | 0 | 109.9 | F4 K300 | F4-K375 CarbonylContact O-C 3.53Å; K300-K375 PolarHBondContact NZ-O 3.23Å |
| 376 | V | 94.4 | Very high | 81.3 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 102 | 170 | -165.2 | 0 | 0 | 0 | 0 | 107 | F4 I6 L104 M296 K300 L378 | F4-V376 HydrophobicContact CB-CB 4.24Å; F4-V376 PolarHBondContact N-O 3.49Å; F4-V376 PolarHBondContact O-N 3.06Å; I6-V376 HydrophobicContact CD1-CG2 3.67Å; I6-V376 HydrophobicContact CG1-CG2 3.93Å; L104-V376 HydrophobicContact CD2-CB 3.97Å; L104-V376 HydrophobicContact CD2-CG1 3.83Å; L104-V376 HydrophobicContact CD2-CG2 4.26Å; M296-V376 HydrophobicContact CE-CG1 4.3Å; K300-V376 HydrophobicContact CD-CB 4.36Å; K300-V376 HydrophobicContact CD-CG1 4.24Å; K300-V376 HydrophobicContact CD-CG2 3.58Å; V376-L378 HydrophobicContact CG1-CD2 4.19Å |
| 377 | E | 89.9 | Confident | 82.7 | Confident | 88 Ų | 88 | 65.8 Ų | 65.8 | 41% | 0.411 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 125 | 173.1 | -65.8 | -175.9 | 178.1 | 0 | 0 | 109.1 | K72 N379 M380 | K72-E377 IonicContact NZ-OE2 2.67Å; E377-N379 VanDerWaalsContact C-N 3.29Å; E377-M380 WeakPolarHBondContact O-CE 3.33Å |
| 378 | L | 89.5 | Confident | 83.2 | Confident | 29 Ų | 29 | 63.4 Ų | 63.4 | 15% | 0.152 | 30% | 0.295 | C | S | . | . | trans | -90.9 | 5.6 | 173.3 | -58.8 | -171.2 | 0 | 0 | 0 | 112.9 | T2 F4 P100 A101 L104 F293 V376 M380 | T2-L378 HydrophobicContact CG2-CD1 4.43Å; T2-L378 PolarHBondContact O-N 2.78Å; F4-L378 HydrophobicContact CD2-CD1 3.71Å; F4-L378 HydrophobicContact CD2-CG 4.08Å; F4-L378 HydrophobicContact CE2-CD1 3.45Å; F4-L378 VanDerWaalsContact CE2-CD1 3.45Å; F4-L378 HydrophobicContact CE2-CG 4.32Å; P100-L378 HydrophobicContact CB-CD2 4.28Å; A101-L378 HydrophobicContact CB-CD1 3.59Å; L104-L378 HydrophobicContact CD2-CD2 4.34Å; F293-L378 HydrophobicContact CE2-CD2 3.78Å; F293-L378 HydrophobicContact CZ-CD2 3.64Å; V376-L378 HydrophobicContact CG1-CD2 4.19Å; L378-M380 PolarHBondContact O-N 3.46Å | ||
| 379 | N | 83.6 | Confident | 83 | Confident | 52 Ų | 52 | 58.4 Ų | 58.4 | 28% | 0.278 | 28% | 0.279 | S | S | . | . | trans | -76.8 | 94.7 | 176.8 | -168.5 | 35.3 | 0 | 0 | 0 | 110.4 | M1 K72 E377 I381 | M1-N379 HydrophobicContact SD-CB 4.34Å; K72-N379 WeakPolarHBondContact CE-O 3.23Å; E377-N379 VanDerWaalsContact C-N 3.29Å; N379-I381 PolarHBondContact ND2-O 2.92Å; N379-I381 PolarHBondContact OD1-O 2.83Å | ||
| 380 | M | 80.5 | Confident | 82.3 | Confident | 11 Ų | 11 | 60 Ų | 60 | 5% | 0.054 | 29% | 0.287 | C | S | . | . | trans | -90.7 | -8.7 | -178 | -62.7 | -62.3 | 157.6 | 0 | 0 | 113.5 | T71 K72 A75 L93 F289 F293 M296 E377 L378 | T71-M380 HydrophobicContact CG2-CE 4.33Å; T71-M380 HydrophobicContact CG2-SD 3.66Å; K72-M380 HydrophobicContact CG-SD 4.24Å; A75-M380 HydrophobicContact CB-CB 3.8Å; L93-M380 HydrophobicContact CD1-CB 4.2Å; F289-M380 HydrophobicContact CE2-CB 4.37Å; F289-M380 HydrophobicContact CE2-CG 4Å; F289-M380 HydrophobicContact CE2-SD 4.44Å; F289-M380 HydrophobicContact CZ-CG 4.19Å; F293-M380 HydrophobicContact CD2-CE 3.59Å; F293-M380 HydrophobicContact CE2-CE 3.46Å; F293-M380 VanDerWaalsContact CE2-CE 3.46Å; M296-M380 HydrophobicContact CE-CE 4.09Å; E377-M380 WeakPolarHBondContact O-CE 3.33Å; L378-M380 PolarHBondContact O-N 3.46Å | ||
| 381 | I | 71.3 | Confident | 81.6 | Confident | 24 Ų | 24 | 63.5 Ų | 63.5 | 12% | 0.123 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -129 | 129.3 | -175.7 | -53.2 | 150.8 | 0 | 0 | 0 | 108 | L89 L93 N379 V383 | L89-I381 HydrophobicContact CD2-CD1 3.32Å; L89-I381 HydrophobicContact CD2-CG1 3.68Å; L89-I381 HydrophobicContact CG-CD1 3.82Å; L93-I381 HydrophobicContact CD1-CD1 3.95Å; L93-I381 HydrophobicContact CD1-CG1 4.31Å; N379-I381 PolarHBondContact ND2-O 2.92Å; N379-I381 PolarHBondContact OD1-O 2.83Å; I381-V383 PolarHBondContact O-N 3.08Å; I381-V383 VanDerWaalsContact O-N 3.1Å |
| 382 | D | 63.5 | Low | 80.5 | Confident | 116 Ų | 116 | 68.2 Ų | 68.2 | 62% | 0.62 | 33% | 0.325 | S | S | * | . | trans | -73.9 | 101.4 | 165.2 | -74.7 | -26.7 | 0 | 0 | 0 | 107.8 | R384 | D382-R384 VanDerWaalsContact C-N 3.3Å; D382-R384 PolarHBondContact O-N 2.68Å | ||
| 383 | V | 52.3 | Low | 79.3 | Confident | 131 Ų | 131 | 73.7 Ų | 73.7 | 79% | 0.794 | 35% | 0.351 | S | S | * | . | trans | -71.7 | 93.3 | 166.7 | -171.7 | 0 | 0 | 0 | 0 | 106.4 | I381 | I381-V383 PolarHBondContact O-N 3.08Å; I381-V383 VanDerWaalsContact O-N 3.1Å | ||
| 384 | R | 38.5 | Very low | 77.7 | Confident | 301 Ų | 301 | 78.1 Ų | 78.1 | 100% | 1.136 | 37% | 0.367 | S | S | * | . | trans | -79.1 | 0 | 162.8 | -76.7 | -169.9 | -179.7 | -175.3 | 0.9 | 110.4 | D382 | D382-R384 VanDerWaalsContact C-N 3.3Å; D382-R384 PolarHBondContact O-N 2.68Å |
Retrieved 384 of 384 residues in 90.9 ms
(Link to these results)