| 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 | 81.8 | Confident | 94.8 | Very high | 153 Ų | 153 | 40.5 Ų | 40.5 | 75% | 0.754 | 20% | 0.197 | S | C | * | . | 0 | 128 | 0 | -174.7 | -179.7 | -76.2 | 0 | 0 | 108.1 | R3 K284 P336 | M1-R3 PolarHBondContact O-N 3.45Å; M1-K284 HydrophobicContact CG-CD 4.49Å; M1-K284 HydrophobicContact SD-CD 3.49Å; M1-K284 WeakPolarHBondContact SD-CD 3.2Å; M1-K284 WeakPolarHBondContact SD-CE 2.94Å; M1-K284 HydrophobicContact SD-CG 4.1Å; M1-K284 PolarHBondContact SD-NZ 3.33Å; M1-P336 WeakPolarHBondContact O-CD 3.43Å; M1-P336 VanDerWaalsContact O-CG 3.29Å; M1-P336 WeakPolarHBondContact O-CG 3.45Å | |||
| 2 | L | 94.5 | Very high | 94.7 | Very high | 26 Ų | 26 | 37.3 Ų | 37.3 | 14% | 0.136 | 18% | 0.182 | C | C | . | . | trans | -47.7 | 128.8 | -179 | 179.1 | 71.5 | 0 | 0 | 0 | 112.5 | L268 I281 P283 K284 L332 D333 F334 | L2-L268 HydrophobicContact CD2-CD2 4.13Å; L2-I281 HydrophobicContact CD2-CG2 3.3Å; L2-P283 HydrophobicContact CD2-CB 4.35Å; L2-P283 HydrophobicContact CD2-CG 3.97Å; L2-P283 HydrophobicContact CG-CB 4.2Å; L2-P283 HydrophobicContact CG-CG 4.31Å; L2-K284 PolarHBondContact O-N 3.31Å; L2-K284 VanDerWaalsContact O-N 3.14Å; L2-L332 HydrophobicContact CD1-CD1 3.6Å; L2-L332 HydrophobicContact CD1-CD2 3.97Å; L2-L332 HydrophobicContact CD1-CG 3.61Å; L2-L332 HydrophobicContact CG-CD1 3.85Å; L2-L332 HydrophobicContact CG-CG 4.36Å; L2-D333 WeakPolarHBondContact CA-O 3.26Å; L2-D333 WeakPolarHBondContact CD1-O 3.33Å; L2-F334 HydrophobicContact CD1-CB 4.28Å; L2-F334 HydrophobicContact CD1-CD1 3.55Å; L2-F334 HydrophobicContact CD1-CD2 4.26Å; L2-F334 HydrophobicContact CD1-CE1 3.8Å; L2-F334 HydrophobicContact CD1-CG 3.78Å; L2-F334 HydrophobicContact CD1-CZ 4.29Å; L2-F334 HydrophobicContact CD2-CE1 4.49Å | ||
| 3 | R | 96.6 | Very high | 94.6 | Very high | 63 Ų | 63 | 37.2 Ų | 37.2 | 24% | 0.238 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 145.8 | -174 | 173 | 176.3 | -67.8 | -115.9 | 12.9 | 112.7 | M1 T5 K284 D333 | M1-R3 PolarHBondContact O-N 3.45Å; R3-T5 HydrophobicContact CG-CG2 4.38Å; R3-T5 PolarHBondContact O-N 2.87Å; R3-K284 CarbonylContact C-O 3.55Å; R3-K284 VanDerWaalsContact CA-O 3.28Å; R3-K284 WeakPolarHBondContact CA-O 3.34Å; R3-K284 HydrophobicContact CB-CB 4.15Å; R3-K284 HydrophobicContact CG-CB 4.14Å; R3-K284 WeakPolarHBondContact CG-O 3.49Å; R3-D333 PolarHBondContact N-O 3.34Å; R3-D333 VanDerWaalsContact N-O 3.09Å; R3-D333 PolarHBondContact O-N 3.13Å |
| 4 | W | 97.7 | Very high | 94.4 | Very high | 22 Ų | 22 | 35.1 Ų | 35.1 | 8% | 0.083 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 117.7 | 163.5 | -63.3 | 104.9 | 0 | 0 | 0 | 110 | F254 K284 K286 G287 P288 L305 H330 I331 L332 | W4-F254 HydrophobicContact CZ2-CD2 4.42Å; W4-F254 AromaticContact CZ2-CE2 3.99Å; W4-F254 HydrophobicContact CZ2-CE2 3.99Å; W4-K284 PolarHBondContact N-O 2.85Å; W4-K286 WeakPolarHBondContact CB-O 3.36Å; W4-G287 VanDerWaalsContact CD1-CA 3.43Å; W4-P288 HydrophobicContact CH2-CG 3.89Å; W4-P288 VanDerWaalsContact CZ2-CD 3.49Å; W4-P288 HydrophobicContact CZ2-CG 4.18Å; W4-P288 HydrophobicContact CZ3-CG 4.2Å; W4-L305 HydrophobicContact CH2-CD1 4.32Å; W4-H330 HydrophobicContact CE3-CB 3.7Å; W4-H330 HydrophobicContact CZ3-CB 3.54Å; W4-I331 CarbonylContact C-O 3.54Å; W4-I331 WeakPolarHBondContact CA-O 3.09Å; W4-L332 HydrophobicContact CD2-CB 4.18Å; W4-L332 HydrophobicContact CD2-CD1 3.92Å; W4-L332 HydrophobicContact CE3-CB 3.7Å; W4-L332 HydrophobicContact CE3-CD1 4.32Å; W4-L332 HydrophobicContact CG-CD1 4.22Å; W4-L332 HydrophobicContact CH2-CB 3.91Å; W4-L332 HydrophobicContact CH2-CD2 4.41Å; W4-L332 HydrophobicContact CZ2-CB 4.35Å; W4-L332 HydrophobicContact CZ2-CD1 4.32Å; W4-L332 HydrophobicContact CZ2-CD2 4.34Å; W4-L332 HydrophobicContact CZ3-CB 3.57Å |
| 5 | T | 97.5 | Very high | 94.4 | Very high | 8 Ų | 8 | 32.7 Ų | 32.7 | 5% | 0.049 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | -21.7 | -168.8 | 57.1 | 0 | 0 | 0 | 0 | 114.2 | R3 I331 D333 P336 T340 L344 M367 | R3-T5 HydrophobicContact CG-CG2 4.38Å; R3-T5 PolarHBondContact O-N 2.87Å; T5-I331 PolarHBondContact N-O 3.32Å; T5-I331 PolarHBondContact OG1-O 2.93Å; T5-D333 HydrophobicContact CG2-CB 3.47Å; T5-D333 VanDerWaalsContact CG2-CB 3.47Å; T5-P336 HydrophobicContact CG2-CB 4.37Å; T5-T340 HydrophobicContact CG2-CG2 4.01Å; T5-L344 HydrophobicContact CG2-CD1 4.16Å; T5-L344 VanDerWaalsContact O-CD2 3.23Å; T5-L344 WeakPolarHBondContact O-CD2 3.26Å; T5-M367 VanDerWaalsContact O-CE 3.24Å; T5-M367 WeakPolarHBondContact O-CE 3.14Å |
| 6 | V | 97.2 | Very high | 94.5 | Very high | 12 Ų | 12 | 31.8 Ų | 31.8 | 7% | 0.073 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 136.9 | -180 | 178.3 | 0 | 0 | 0 | 0 | 107.9 | L8 L54 L329 H330 I331 M367 | V6-L8 HydrophobicContact CG1-CD1 3.82Å; V6-L8 HydrophobicContact CG1-CG 3.67Å; V6-L54 HydrophobicContact CG1-CD1 4.19Å; V6-L54 HydrophobicContact CG2-CD1 4.07Å; V6-L329 HydrophobicContact CG1-CD2 4.39Å; V6-H330 CarbonylContact O-C 3.49Å; V6-H330 VanDerWaalsContact O-CA 3.3Å; V6-H330 WeakPolarHBondContact O-CA 3.29Å; V6-I331 HydrophobicContact CB-CB 3.87Å; V6-I331 HydrophobicContact CB-CD1 4.02Å; V6-I331 HydrophobicContact CB-CG1 3.92Å; V6-I331 HydrophobicContact CG1-CD1 4.35Å; V6-I331 HydrophobicContact CG1-CG1 4.45Å; V6-I331 HydrophobicContact CG2-CB 4.23Å; V6-I331 HydrophobicContact CG2-CD1 4.08Å; V6-I331 HydrophobicContact CG2-CG1 4.41Å; V6-I331 PolarHBondContact O-N 2.83Å; V6-M367 HydrophobicContact CG2-CE 4.07Å; V6-M367 HydrophobicContact CG2-CG 4.06Å |
| 7 | H | 97.2 | Very high | 94.6 | Very high | 75 Ų | 75 | 30.6 Ų | 30.6 | 35% | 0.347 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 118.8 | 167.1 | 171 | 55.9 | 0 | 0 | 0 | 107.5 | E9 L329 H330 | H7-E9 IonicContact CE1-OE1 2.71Å; H7-E9 PolarHBondContact CE1-OE1 3.32Å; H7-E9 IonicContact NE2-OE1 3Å; H7-L329 VanDerWaalsContact CA-O 3.28Å; H7-L329 WeakPolarHBondContact CA-O 3.41Å; H7-H330 AromaticContact CE1-CE1 3.75Å; H7-H330 AromaticContact CE1-NE2 3.74Å; H7-H330 AromaticContact CG-CE1 3.81Å; H7-H330 AromaticContact ND1-CD2 4Å; H7-H330 AromaticContact ND1-CE1 3.1Å; H7-H330 PolarHBondContact ND1-CE1 2.98Å; H7-H330 AromaticContact ND1-ND1 3.73Å; H7-H330 AromaticContact ND1-NE2 3.28Å; H7-H330 PolarHBondContact ND1-NE2 3.33Å |
| 8 | L | 96.8 | Very high | 94.8 | Very high | 5 Ų | 5 | 29.3 Ų | 29.3 | 3% | 0.026 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 148.9 | -178.8 | -68 | 174.7 | 0 | 0 | 0 | 109.6 | V6 L54 D328 L329 M367 T369 | V6-L8 HydrophobicContact CG1-CD1 3.82Å; V6-L8 HydrophobicContact CG1-CG 3.67Å; L8-L54 HydrophobicContact CD1-CB 3.83Å; L8-D328 CarbonylContact O-C 3.52Å; L8-D328 VanDerWaalsContact O-CA 3.22Å; L8-D328 WeakPolarHBondContact O-CA 3.42Å; L8-L329 PolarHBondContact N-O 3.43Å; L8-L329 PolarHBondContact O-N 3.42Å; L8-M367 WeakPolarHBondContact CD2-O 3.11Å; L8-T369 WeakPolarHBondContact CD2-O 3.46Å |
| 9 | E | 95.8 | Very high | 95 | Very high | 68 Ų | 68 | 28.7 Ų | 28.7 | 32% | 0.318 | 14% | 0.142 | S | C | . | . | trans | -107.7 | 172.9 | 176.8 | -68.6 | -65.3 | 167.4 | 0 | 0 | 112.6 | H7 G11 D328 N370 S371 | H7-E9 IonicContact CE1-OE1 2.71Å; H7-E9 PolarHBondContact CE1-OE1 3.32Å; H7-E9 IonicContact NE2-OE1 3Å; E9-G11 VanDerWaalsContact C-N 3.3Å; E9-G11 PolarHBondContact O-N 2.75Å; E9-D328 WeakPolarHBondContact OE1-CB 3.43Å; E9-D328 WeakPolarHBondContact OE2-CB 3.46Å; E9-N370 HydrophobicContact CB-CB 4.36Å; E9-N370 PolarHBondContact N-OD1 3.26Å; E9-N370 WeakPolarHBondContact O-CB 3.44Å; E9-S371 PolarHBondContact O-N 3.35Å | ||
| 10 | G | 92.8 | Very high | 95.2 | Very high | 12 Ų | 12 | 28 Ų | 28 | 12% | 0.124 | 14% | 0.139 | C | C | . | . | S | Bend | trans | 72.9 | 18.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115 | S327 S371 N372 I373 | G10-S327 PolarHBondContact N-O 3.49Å; G10-S371 WeakPolarHBondContact CA-O 3.5Å; G10-S371 CarbonylContact O-C 3.59Å; G10-S371 VanDerWaalsContact O-CB 3.32Å; G10-S371 WeakPolarHBondContact O-CB 3.42Å; G10-N372 PolarHBondContact O-N 3.29Å; G10-I373 PolarHBondContact O-N 2.79Å |
| 11 | G | 94.9 | Very high | 95.3 | Very high | 2 Ų | 2 | 28 Ų | 28 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -69.5 | -170.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E9 R13 S327 S374 | E9-G11 VanDerWaalsContact C-N 3.3Å; E9-G11 PolarHBondContact O-N 2.75Å; G11-R13 PolarHBondContact O-N 3.2Å; G11-S327 WeakPolarHBondContact CA-O 3.25Å; G11-S327 PolarHBondContact N-O 2.74Å; G11-S327 WeakPolarHBondContact O-CB 3.37Å; G11-S374 WeakPolarHBondContact O-CB 3.5Å; G11-S374 PolarHBondContact O-OG 3.04Å |
| 12 | P | 93.9 | Very high | 96.1 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.013 | 12% | 0.116 | C | C | . | . | trans | -68 | 118.9 | 176.6 | 29.2 | -33.5 | 0 | 0 | 0 | 110.6 | R14 H47 W56 F306 I373 | P12-R14 HydrophobicContact CB-CG 4.09Å; P12-R14 PolarHBondContact O-N 3.04Å; P12-R14 VanDerWaalsContact O-N 3.09Å; P12-H47 HydrophobicContact CB-CB 4.22Å; P12-H47 HydrophobicContact CG-CB 4.1Å; P12-W56 VanDerWaalsContact CD-CE2 3.4Å; P12-W56 HydrophobicContact CG-CD2 4.03Å; P12-W56 HydrophobicContact CG-CE3 3.93Å; P12-W56 HydrophobicContact CG-CH2 3.96Å; P12-W56 HydrophobicContact CG-CZ2 4.04Å; P12-W56 HydrophobicContact CG-CZ3 3.9Å; P12-F306 HydrophobicContact CG-CD2 4.35Å; P12-F306 HydrophobicContact CG-CE2 4.47Å; P12-I373 HydrophobicContact CB-CG2 4.5Å | ||
| 13 | R | 92.6 | Very high | 96.1 | Very high | 36 Ų | 36 | 24 Ų | 24 | 14% | 0.136 | 14% | 0.142 | C | C | . | . | trans | -76.4 | 92.7 | 172.2 | -175.5 | -178.8 | -72.5 | 169 | 6.7 | 109.5 | G11 C33 D325 H326 S374 I377 | G11-R13 PolarHBondContact O-N 3.2Å; R13-C33 WeakPolarHBondContact CD-SG 3.41Å; R13-C33 WeakPolarHBondContact O-CB 3.37Å; R13-D325 HydrophobicContact CG-CB 3.49Å; R13-D325 VanDerWaalsContact CG-CB 3.49Å; R13-D325 PolarHBondContact NE-O 3.49Å; R13-H326 WeakPolarHBondContact CA-O 3.29Å; R13-S374 PolarHBondContact N-OG 3.38Å; R13-I377 VanDerWaalsContact NH1-CD1 3.35Å | ||
| 14 | R | 92.3 | Very high | 96.1 | Very high | 7 Ų | 7 | 24.9 Ų | 24.9 | 3% | 0.026 | 15% | 0.149 | C | C | . | . | trans | -136.6 | 142.6 | -175.9 | -62.9 | -65.6 | 175.7 | -111.5 | 17.9 | 111.1 | P12 H17 G30 Y32 E36 D45 G307 G308 | P12-R14 HydrophobicContact CB-CG 4.09Å; P12-R14 PolarHBondContact O-N 3.04Å; P12-R14 VanDerWaalsContact O-N 3.09Å; R14-H17 VanDerWaalsContact C-ND1 3.31Å; R14-H17 HydrophobicContact CB-CB 4Å; R14-H17 WeakPolarHBondContact CB-ND1 3.38Å; R14-H17 PolarHBondContact O-CE1 3.27Å; R14-H17 PolarHBondContact O-ND1 3.03Å; R14-G30 VanDerWaalsContact CD-O 3.28Å; R14-G30 WeakPolarHBondContact CD-O 3.37Å; R14-G30 WeakPolarHBondContact CG-O 3.36Å; R14-Y32 CarbonylContact C-O 3.52Å; R14-E36 IonicContact CZ-OE1 3.46Å; R14-E36 IonicContact CZ-OE2 3.77Å; R14-E36 IonicContact NH1-OE1 2.66Å; R14-E36 PolarHBondContact NH1-OE1 3.01Å; R14-E36 IonicContact NH1-OE2 3.37Å; R14-E36 IonicContact NH2-OE1 3.55Å; R14-E36 PolarHBondContact NH2-OE1 3.14Å; R14-E36 IonicContact NH2-OE2 2.75Å; R14-D45 IonicContact CZ-OD2 2.73Å; R14-D45 VanDerWaalsContact CZ-OD2 3.28Å; R14-D45 IonicContact NE-OD1 2.86Å; R14-D45 IonicContact NE-OD2 3.02Å; R14-D45 PolarHBondContact NE-OD2 3.12Å; R14-D45 VanDerWaalsContact NE-OD2 3.13Å; R14-D45 IonicContact NH2-OD2 3.82Å; R14-D45 PolarHBondContact NH2-OD2 2.94Å; R14-G307 WeakPolarHBondContact O-CA 3.42Å; R14-G308 PolarHBondContact O-N 3.05Å | ||
| 15 | V | 94.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | B | Isolated β-bridge | trans | -126.9 | 134.5 | -179.5 | -171.1 | 0 | 0 | 0 | 0 | 108.4 | H17 G31 Y32 R293 T309 D325 | V15-H17 PolarHBondContact O-N 3.49Å; V15-H17 VanDerWaalsContact O-N 3.13Å; V15-G31 CarbonylContact O-C 3.55Å; V15-G31 VanDerWaalsContact O-CA 3.24Å; V15-G31 WeakPolarHBondContact O-CA 3.44Å; V15-Y32 HydrophobicContact CB-CD1 3.75Å; V15-Y32 HydrophobicContact CB-CD2 4.45Å; V15-Y32 HydrophobicContact CB-CE1 3.45Å; V15-Y32 VanDerWaalsContact CB-CE1 3.45Å; V15-Y32 HydrophobicContact CB-CE2 4.16Å; V15-Y32 HydrophobicContact CB-CG 4.24Å; V15-Y32 WeakPolarHBondContact CB-O 3.32Å; V15-Y32 HydrophobicContact CG1-CD1 4.05Å; V15-Y32 HydrophobicContact CG1-CE1 3.28Å; V15-Y32 HydrophobicContact CG1-CE2 4.44Å; V15-Y32 HydrophobicContact CG2-CE1 4.43Å; V15-Y32 HydrophobicContact CG2-CE2 4.35Å; V15-Y32 PolarHBondContact N-O 3.01Å; V15-Y32 WeakPolarHBondContact O-CD1 3.45Å; V15-Y32 PolarHBondContact O-N 2.96Å; V15-R293 HydrophobicContact CG1-CB 3.46Å; V15-R293 VanDerWaalsContact CG1-CB 3.46Å; V15-R293 HydrophobicContact CG1-CG 4.17Å; V15-T309 HydrophobicContact CB-CG2 4.14Å; V15-T309 HydrophobicContact CG1-CG2 3.56Å; V15-T309 HydrophobicContact CG2-CG2 3.44Å; V15-T309 VanDerWaalsContact CG2-CG2 3.44Å; V15-D325 HydrophobicContact CG2-CB 3.98Å; V15-D325 WeakPolarHBondContact CG2-OD1 3.31Å |
| 16 | N | 95.7 | Very high | 96.2 | Very high | 18 Ų | 18 | 27.9 Ų | 27.9 | 10% | 0.096 | 16% | 0.16 | C | C | . | . | S | Bend | trans | 58.1 | 30.9 | 177.8 | -155.7 | 42.6 | 0 | 0 | 0 | 112.4 | Y32 G79 R293 | N16-Y32 HydrophobicContact CB-CD1 4.29Å; N16-Y32 HydrophobicContact CB-CE1 4.33Å; N16-G79 WeakPolarHBondContact ND2-CA 3.27Å; N16-G79 PolarHBondContact ND2-N 3.14Å; N16-G79 VanDerWaalsContact ND2-N 3.11Å; N16-G79 PolarHBondContact O-N 3.48Å; N16-R293 HydrophobicContact CB-CB 4.1Å; N16-R293 HydrophobicContact CB-CG 4.22Å; N16-R293 PolarHBondContact N-O 3.42Å |
| 17 | H | 97.4 | Very high | 96.2 | Very high | 11 Ų | 11 | 27.6 Ų | 27.6 | 5% | 0.051 | 16% | 0.157 | C | C | . | . | trans | -80.2 | 173 | 168 | 59.3 | -79.8 | 0 | 0 | 0 | 109.8 | R14 V15 S28 G30 C295 F306 | R14-H17 VanDerWaalsContact C-ND1 3.31Å; R14-H17 HydrophobicContact CB-CB 4Å; R14-H17 WeakPolarHBondContact CB-ND1 3.38Å; R14-H17 PolarHBondContact O-CE1 3.27Å; R14-H17 PolarHBondContact O-ND1 3.03Å; V15-H17 PolarHBondContact O-N 3.49Å; V15-H17 VanDerWaalsContact O-N 3.13Å; H17-S28 PolarHBondContact CD2-OG 3.46Å; H17-G30 WeakPolarHBondContact CB-O 3.3Å; H17-C295 PolarHBondContact CD2-SG 2.85Å; H17-C295 VanDerWaalsContact NE2-CB 3.34Å; H17-C295 WeakPolarHBondContact NE2-CB 3.44Å; H17-C295 PolarHBondContact NE2-SG 2.91Å; H17-C295 VanDerWaalsContact NE2-SG 3.45Å; H17-C295 PolarHBondContact O-SG 2.83Å; H17-F306 AromaticContact CD2-CE2 3.73Å; H17-F306 AromaticContact NE2-CD2 3.61Å; H17-F306 AromaticContact NE2-CE2 3.09Å; H17-F306 WeakPolarHBondContact NE2-CE2 3.41Å; H17-F306 AromaticContact NE2-CZ 3.67Å | ||
| 18 | A | 98.3 | Very high | 96.3 | Very high | 8 Ų | 8 | 24 Ų | 24 | 7% | 0.066 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 147.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | F29 T82 | A18-F29 PolarHBondContact N-O 3.24Å; A18-F29 PolarHBondContact O-N 3.08Å; A18-T82 HydrophobicContact CB-CG2 3.88Å; A18-T82 VanDerWaalsContact CB-OG1 3.3Å; A18-T82 WeakPolarHBondContact CB-OG1 3.2Å |
| 19 | A | 98.4 | Very high | 96.3 | Very high | 18 Ų | 18 | 23.8 Ų | 23.8 | 15% | 0.149 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 150.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V26 Y27 T82 C295 F306 | A19-V26 HydrophobicContact CB-CG1 4.13Å; A19-Y27 CarbonylContact C-O 3.51Å; A19-Y27 WeakPolarHBondContact CA-O 3.46Å; A19-Y27 VanDerWaalsContact CB-O 3.29Å; A19-Y27 WeakPolarHBondContact CB-O 3.2Å; A19-T82 PolarHBondContact N-OG1 2.86Å; A19-C295 HydrophobicContact CB-CB 4.08Å; A19-F306 HydrophobicContact CB-CE1 4.36Å; A19-F306 HydrophobicContact CB-CZ 3.77Å |
| 20 | V | 98.4 | Very high | 96.3 | Very high | 13 Ų | 13 | 20.6 Ų | 20.6 | 8% | 0.079 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 147 | 176.8 | -64.4 | 0 | 0 | 0 | 0 | 110.9 | V26 Y27 F29 L84 V89 | V20-V26 CarbonylContact O-C 3.49Å; V20-V26 WeakPolarHBondContact O-CA 3.35Å; V20-Y27 PolarHBondContact N-O 3.08Å; V20-Y27 PolarHBondContact O-N 3.4Å; V20-F29 HydrophobicContact CG2-CE2 4.21Å; V20-L84 HydrophobicContact CB-CB 4.31Å; V20-L84 HydrophobicContact CG1-CB 4.47Å; V20-V89 HydrophobicContact CG1-CG1 4.42Å; V20-V89 HydrophobicContact CG2-CB 4.39Å; V20-V89 HydrophobicContact CG2-CG1 3.89Å; V20-V89 HydrophobicContact CG2-CG2 3.58Å |
| 21 | A | 98 | Very high | 96.4 | Very high | 28 Ų | 28 | 20 Ų | 20 | 23% | 0.231 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 136.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | R25 V26 L84 C297 I298 V299 | A21-R25 CarbonylContact C-O 3.58Å; A21-R25 WeakPolarHBondContact CA-O 3.14Å; A21-V26 HydrophobicContact CB-CG2 4.44Å; A21-L84 WeakPolarHBondContact O-CD2 3.45Å; A21-C297 HydrophobicContact CB-CB 4.1Å; A21-I298 WeakPolarHBondContact CB-O 3.45Å; A21-V299 HydrophobicContact CB-CG2 3.98Å |
| 22 | V | 97.1 | Very high | 96 | Very high | 29 Ų | 29 | 21.8 Ų | 21.8 | 18% | 0.176 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 104.1 | 176.3 | -174.8 | 0 | 0 | 0 | 0 | 107.5 | H24 R25 Y27 L84 V110 | V22-H24 PolarHBondContact O-N 2.98Å; V22-R25 PolarHBondContact N-O 3.31Å; V22-R25 PolarHBondContact O-N 2.95Å; V22-Y27 HydrophobicContact CB-CD2 4.15Å; V22-Y27 HydrophobicContact CB-CE2 3.9Å; V22-Y27 HydrophobicContact CG2-CD2 3.71Å; V22-Y27 HydrophobicContact CG2-CE2 3.84Å; V22-L84 HydrophobicContact CB-CD2 4.47Å; V22-L84 HydrophobicContact CG2-CD1 3.97Å; V22-L84 HydrophobicContact CG2-CD2 3.84Å; V22-V110 HydrophobicContact CG1-CG2 4.01Å; V22-V110 HydrophobicContact CG2-CG1 4.07Å |
| 23 | G | 95.8 | Very high | 95.8 | Very high | 67 Ų | 67 | 22 Ų | 22 | 69% | 0.691 | 13% | 0.126 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | -120.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | R25 | G23-R25 VanDerWaalsContact C-N 3.35Š|
| 24 | H | 96.4 | Very high | 95.4 | Very high | 82 Ų | 82 | 23.7 Ų | 23.7 | 38% | 0.38 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 11 | 177.9 | 66 | -88.5 | 0 | 0 | 0 | 113.8 | V22 N50 A51 V52 | V22-H24 PolarHBondContact O-N 2.98Å; H24-N50 PolarHBondContact CD2-OD1 3.22Å; H24-A51 VanDerWaalsContact O-CB 3.23Å; H24-A51 WeakPolarHBondContact O-CB 3.49Å; H24-A51 PolarHBondContact O-N 3.13Å; H24-V52 HydrophobicContact CB-CG2 4.03Å |
| 25 | R | 97.9 | Very high | 94.8 | Very high | 93 Ų | 93 | 27.6 Ų | 27.6 | 35% | 0.351 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 151.4 | -177.2 | -61.2 | -178.7 | -176.2 | -171 | 1.7 | 111.3 | A21 V22 G23 Y27 I48 F49 | A21-R25 CarbonylContact C-O 3.58Å; A21-R25 WeakPolarHBondContact CA-O 3.14Å; V22-R25 PolarHBondContact N-O 3.31Å; V22-R25 PolarHBondContact O-N 2.95Å; G23-R25 VanDerWaalsContact C-N 3.35Å; R25-Y27 HydrophobicContact CB-CE2 4.03Å; R25-I48 HydrophobicContact CB-CG2 4.12Å; R25-I48 HydrophobicContact CG-CG2 4.35Å; R25-F49 CarbonylContact C-O 3.51Å; R25-F49 WeakPolarHBondContact CA-O 3.26Å |
| 26 | V | 98.5 | Very high | 94 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 125.6 | 168.7 | 178.9 | 0 | 0 | 0 | 0 | 108.5 | A19 V20 A21 I48 F49 C297 V299 V304 F306 | A19-V26 HydrophobicContact CB-CG1 4.13Å; V20-V26 CarbonylContact O-C 3.49Å; V20-V26 WeakPolarHBondContact O-CA 3.35Å; A21-V26 HydrophobicContact CB-CG2 4.44Å; V26-I48 CarbonylContact O-C 3.59Å; V26-I48 WeakPolarHBondContact O-CA 3.48Å; V26-F49 HydrophobicContact CB-CB 4.17Å; V26-F49 HydrophobicContact CG2-CD1 4.47Å; V26-F49 PolarHBondContact N-O 3.4Å; V26-F49 PolarHBondContact O-N 2.68Å; V26-C297 HydrophobicContact CG1-CB 3.97Å; V26-C297 VanDerWaalsContact CG1-SG 3.59Å; V26-C297 HydrophobicContact CG2-CB 3.93Å; V26-V299 HydrophobicContact CG2-CG2 3.55Å; V26-V304 HydrophobicContact CG2-CB 4.34Å; V26-V304 HydrophobicContact CG2-CG2 4.33Å; V26-F306 HydrophobicContact CG1-CE1 3.99Å; V26-F306 HydrophobicContact CG1-CZ 4.24Å |
| 27 | Y | 98.6 | Very high | 92.9 | Very high | 6 Ų | 6 | 33.4 Ų | 33.4 | 2% | 0.024 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 125.7 | 174.4 | -69.5 | -103 | 0 | 0 | 0 | 108.8 | A19 V20 V22 R25 V46 H47 I48 F108 V110 H113 | A19-Y27 CarbonylContact C-O 3.51Å; A19-Y27 WeakPolarHBondContact CA-O 3.46Å; A19-Y27 VanDerWaalsContact CB-O 3.29Å; A19-Y27 WeakPolarHBondContact CB-O 3.2Å; V20-Y27 PolarHBondContact N-O 3.08Å; V20-Y27 PolarHBondContact O-N 3.4Å; V22-Y27 HydrophobicContact CB-CD2 4.15Å; V22-Y27 HydrophobicContact CB-CE2 3.9Å; V22-Y27 HydrophobicContact CG2-CD2 3.71Å; V22-Y27 HydrophobicContact CG2-CE2 3.84Å; R25-Y27 HydrophobicContact CB-CE2 4.03Å; Y27-V46 HydrophobicContact CD1-CG1 4.11Å; Y27-H47 CarbonylContact C-O 3.48Å; Y27-H47 WeakPolarHBondContact CA-O 3.38Å; Y27-I48 HydrophobicContact CD1-CD1 4Å; Y27-I48 HydrophobicContact CD1-CG1 3.7Å; Y27-I48 HydrophobicContact CE1-CD1 3.37Å; Y27-I48 HydrophobicContact CE1-CG1 3.61Å; Y27-I48 HydrophobicContact CE1-CG2 4.38Å; Y27-I48 HydrophobicContact CG-CG1 4.49Å; Y27-F108 HydrophobicContact CD1-CE1 4.01Å; Y27-F108 HydrophobicContact CE1-CE1 4.01Å; Y27-V110 HydrophobicContact CE2-CB 4.5Å; Y27-V110 PolarHBondContact OH-O 2.84Å; Y27-H113 AromaticContact CE1-NE2 3.73Å; Y27-H113 AromaticContact CZ-NE2 3.89Å; Y27-H113 PolarHBondContact OH-NE2 2.82Å; Y27-H113 VanDerWaalsContact OH-NE2 3.13Å |
| 28 | S | 98.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 135 | 177.5 | 178.6 | 0 | 0 | 0 | 0 | 110.2 | H17 V46 H47 | H17-S28 PolarHBondContact CD2-OG 3.46Å; S28-V46 WeakPolarHBondContact O-CA 3.42Å; S28-H47 PolarHBondContact N-O 3.29Å; S28-H47 PolarHBondContact O-N 3.19Å |
| 29 | F | 97.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 120 | -171.8 | -59.6 | -92.7 | 0 | 0 | 0 | 110.8 | A18 V20 I44 D45 V46 H80 T82 V89 L91 F108 W115 | A18-F29 PolarHBondContact N-O 3.24Å; A18-F29 PolarHBondContact O-N 3.08Å; V20-F29 HydrophobicContact CG2-CE2 4.21Å; F29-I44 HydrophobicContact CB-CD1 4.08Å; F29-D45 WeakPolarHBondContact CA-O 3.28Å; F29-V46 HydrophobicContact CD1-CB 4.47Å; F29-V46 HydrophobicContact CD1-CG1 4.18Å; F29-V46 HydrophobicContact CD1-CG2 3.73Å; F29-V46 HydrophobicContact CE1-CB 4.4Å; F29-V46 HydrophobicContact CE1-CG1 3.77Å; F29-V46 HydrophobicContact CE1-CG2 3.78Å; F29-V46 HydrophobicContact CZ-CG1 4.21Å; F29-H80 PolarHBondContact O-CE1 3.31Å; F29-H80 PolarHBondContact O-NE2 3.3Å; F29-T82 HydrophobicContact CB-CG2 4.39Å; F29-T82 HydrophobicContact CD2-CG2 4.02Å; F29-T82 HydrophobicContact CG-CG2 4.3Å; F29-V89 HydrophobicContact CE2-CB 4.43Å; F29-V89 HydrophobicContact CE2-CG1 3.81Å; F29-V89 HydrophobicContact CE2-CG2 4.35Å; F29-V89 HydrophobicContact CZ-CB 4.14Å; F29-V89 HydrophobicContact CZ-CG1 3.96Å; F29-V89 HydrophobicContact CZ-CG2 4.08Å; F29-L91 HydrophobicContact CB-CD1 4.29Å; F29-F108 HydrophobicContact CE1-CB 4.18Å; F29-F108 AromaticContact CE1-CD1 3.91Å; F29-F108 HydrophobicContact CE1-CD1 3.91Å; F29-F108 HydrophobicContact CE1-CD2 4.45Å; F29-F108 HydrophobicContact CE1-CE1 4.41Å; F29-F108 AromaticContact CE1-CG 3.92Å; F29-F108 HydrophobicContact CE1-CG 3.92Å; F29-F108 AromaticContact CZ-CD1 3.89Å; F29-F108 HydrophobicContact CZ-CD1 3.89Å; F29-F108 HydrophobicContact CZ-CE1 4.4Å; F29-F108 HydrophobicContact CZ-CG 4.3Å; F29-W115 AromaticContact CD1-CH2 3.6Å; F29-W115 HydrophobicContact CD1-CH2 3.6Å; F29-W115 AromaticContact CD1-CZ2 3.62Å; F29-W115 HydrophobicContact CD1-CZ2 3.62Å; F29-W115 AromaticContact CE1-CH2 3.82Å; F29-W115 HydrophobicContact CE1-CH2 3.82Å; F29-W115 AromaticContact CE1-CZ2 3.78Å; F29-W115 HydrophobicContact CE1-CZ2 3.78Å |
| 30 | G | 95.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | trans | 61 | -140.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | R14 H17 D45 | R14-G30 VanDerWaalsContact CD-O 3.28Å; R14-G30 WeakPolarHBondContact CD-O 3.37Å; R14-G30 WeakPolarHBondContact CG-O 3.36Å; H17-G30 WeakPolarHBondContact CB-O 3.3Å; G30-D45 WeakPolarHBondContact CA-OD1 3.37Å; G30-D45 PolarHBondContact N-O 2.61Å; G30-D45 VanDerWaalsContact N-O 3.09Å; G30-D45 PolarHBondContact N-OD1 3.38Å | ||
| 31 | G | 93.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | 94.9 | 177 | -168 | 0 | 0 | 0 | 0 | 0 | 111.9 | V15 R77 | V15-G31 CarbonylContact O-C 3.55Å; V15-G31 VanDerWaalsContact O-CA 3.24Å; V15-G31 WeakPolarHBondContact O-CA 3.44Å; G31-R77 WeakPolarHBondContact CA-O 3.4Å; G31-R77 PolarHBondContact N-O 2.86Å | ||
| 32 | Y | 88.4 | Confident | 86.1 | Confident | 39 Ų | 39 | 51.5 Ų | 51.5 | 15% | 0.153 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -110.8 | 162.5 | 173.5 | 86.5 | -90.5 | 0 | 0 | 0 | 111.9 | R14 V15 N16 Y38 Y78 R293 | R14-Y32 CarbonylContact C-O 3.52Å; V15-Y32 HydrophobicContact CB-CD1 3.75Å; V15-Y32 HydrophobicContact CB-CD2 4.45Å; V15-Y32 HydrophobicContact CB-CE1 3.45Å; V15-Y32 VanDerWaalsContact CB-CE1 3.45Å; V15-Y32 HydrophobicContact CB-CE2 4.16Å; V15-Y32 HydrophobicContact CB-CG 4.24Å; V15-Y32 WeakPolarHBondContact CB-O 3.32Å; V15-Y32 HydrophobicContact CG1-CD1 4.05Å; V15-Y32 HydrophobicContact CG1-CE1 3.28Å; V15-Y32 HydrophobicContact CG1-CE2 4.44Å; V15-Y32 HydrophobicContact CG2-CE1 4.43Å; V15-Y32 HydrophobicContact CG2-CE2 4.35Å; V15-Y32 PolarHBondContact N-O 3.01Å; V15-Y32 WeakPolarHBondContact O-CD1 3.45Å; V15-Y32 PolarHBondContact O-N 2.96Å; N16-Y32 HydrophobicContact CB-CD1 4.29Å; N16-Y32 HydrophobicContact CB-CE1 4.33Å; Y32-Y38 VanDerWaalsContact C-OH 3.3Å; Y32-Y38 VanDerWaalsContact CA-CZ 3.44Å; Y32-Y38 VanDerWaalsContact CA-OH 3.25Å; Y32-Y38 WeakPolarHBondContact CA-OH 3.41Å; Y32-Y78 HydrophobicContact CD1-CD1 4.44Å; Y32-Y78 HydrophobicContact CD1-CG 4.25Å; Y32-R293 PolarHBondContact OH-NH1 2.66Å |
| 33 | C | 87.9 | Confident | 85.7 | Confident | 7 Ų | 7 | 53.1 Ų | 53.1 | 5% | 0.047 | 30% | 0.297 | C | S | . | . | trans | -151.1 | 123.5 | 178.6 | 177.4 | 0 | 0 | 0 | 0 | 107.6 | R13 G35 E36 Y38 D325 | R13-C33 WeakPolarHBondContact CD-SG 3.41Å; R13-C33 WeakPolarHBondContact O-CB 3.37Å; C33-G35 PolarHBondContact O-N 2.93Å; C33-E36 HydrophobicContact CB-CG 3.99Å; C33-E36 WeakPolarHBondContact O-CB 3.42Å; C33-E36 PolarHBondContact O-N 3.43Å; C33-Y38 PolarHBondContact N-OH 3.25Å; C33-Y38 VanDerWaalsContact O-CE2 3.31Å; C33-Y38 WeakPolarHBondContact O-CE2 3.28Å; C33-Y38 PolarHBondContact O-OH 3.08Å; C33-D325 WeakPolarHBondContact CA-OD2 3.49Å | ||
| 34 | S | 85.4 | Confident | 85.5 | Confident | 72 Ų | 72 | 50.3 Ų | 50.3 | 50% | 0.503 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 132.2 | 176 | -50.3 | 0 | 0 | 0 | 0 | 110.6 | E36 D325 | S34-E36 VanDerWaalsContact C-N 3.32Å; S34-E36 PolarHBondContact O-N 3.02Å; S34-D325 WeakPolarHBondContact CA-OD2 3.46Å; S34-D325 WeakPolarHBondContact CB-OD2 3.28Å; S34-D325 PolarHBondContact N-OD2 3.41Å; S34-D325 PolarHBondContact OG-OD1 3.07Å; S34-D325 PolarHBondContact OG-OD2 3.4Å |
| 35 | G | 78.6 | Confident | 85.4 | Confident | 89 Ų | 89 | 47 Ų | 47 | 92% | 0.918 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.3 | -4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | C33 | C33-G35 PolarHBondContact O-N 2.93Š|
| 36 | E | 78.9 | Confident | 85.3 | Confident | 57 Ų | 57 | 42.8 Ų | 42.8 | 27% | 0.266 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -84.5 | 147.6 | 164.7 | -68 | -170.9 | -179.9 | 0 | 0 | 110.6 | R14 C33 S34 Y38 | R14-E36 IonicContact CZ-OE1 3.46Å; R14-E36 IonicContact CZ-OE2 3.77Å; R14-E36 IonicContact NH1-OE1 2.66Å; R14-E36 PolarHBondContact NH1-OE1 3.01Å; R14-E36 IonicContact NH1-OE2 3.37Å; R14-E36 IonicContact NH2-OE1 3.55Å; R14-E36 PolarHBondContact NH2-OE1 3.14Å; R14-E36 IonicContact NH2-OE2 2.75Å; C33-E36 HydrophobicContact CB-CG 3.99Å; C33-E36 WeakPolarHBondContact O-CB 3.42Å; C33-E36 PolarHBondContact O-N 3.43Å; S34-E36 VanDerWaalsContact C-N 3.32Å; S34-E36 PolarHBondContact O-N 3.02Å; E36-Y38 HydrophobicContact CB-CE2 3.66Å; E36-Y38 WeakPolarHBondContact CB-OH 3.2Å; E36-Y38 WeakPolarHBondContact O-CD2 3.35Å; E36-Y38 WeakPolarHBondContact O-CE2 3.42Å; E36-Y38 PolarHBondContact OE2-OH 3.39Å |
| 37 | D | 71.1 | Confident | 85.2 | Confident | 82 Ų | 82 | 42.9 Ų | 42.9 | 44% | 0.439 | 24% | 0.236 | S | C | . | . | trans | -79.4 | 117.8 | 174.3 | 172.9 | 10 | 0 | 0 | 0 | 110.7 | E39 T40 | D37-E39 WeakPolarHBondContact OD1-CA 3.39Å; D37-E39 WeakPolarHBondContact OD1-CB 3.24Å; D37-E39 PolarHBondContact OD1-N 2.67Å; D37-T40 WeakPolarHBondContact OD2-CG2 3.11Å | ||
| 38 | Y | 68.4 | Low | 85.2 | Confident | 23 Ų | 23 | 43.3 Ų | 43.3 | 9% | 0.09 | 24% | 0.238 | C | C | . | . | trans | -107.2 | 3.3 | 176.1 | -67.8 | -78.9 | 0 | 0 | 0 | 113.5 | Y32 C33 E36 T40 M76 | Y32-Y38 VanDerWaalsContact C-OH 3.3Å; Y32-Y38 VanDerWaalsContact CA-CZ 3.44Å; Y32-Y38 VanDerWaalsContact CA-OH 3.25Å; Y32-Y38 WeakPolarHBondContact CA-OH 3.41Å; C33-Y38 PolarHBondContact N-OH 3.25Å; C33-Y38 VanDerWaalsContact O-CE2 3.31Å; C33-Y38 WeakPolarHBondContact O-CE2 3.28Å; C33-Y38 PolarHBondContact O-OH 3.08Å; E36-Y38 HydrophobicContact CB-CE2 3.66Å; E36-Y38 WeakPolarHBondContact CB-OH 3.2Å; E36-Y38 WeakPolarHBondContact O-CD2 3.35Å; E36-Y38 WeakPolarHBondContact O-CE2 3.42Å; E36-Y38 PolarHBondContact OE2-OH 3.39Å; Y38-T40 PolarHBondContact O-N 3.34Å; Y38-M76 HydrophobicContact CD1-CG 3.97Å; Y38-M76 HydrophobicContact CE1-CG 3.68Å | ||
| 39 | E | 63.4 | Low | 85.2 | Confident | 154 Ų | 154 | 43.3 Ų | 43.3 | 72% | 0.72 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -78.8 | -3 | 177.1 | -60.9 | -172 | 167.6 | 0 | 0 | 111.8 | D37 T98 | D37-E39 WeakPolarHBondContact OD1-CA 3.39Å; D37-E39 WeakPolarHBondContact OD1-CB 3.24Å; D37-E39 PolarHBondContact OD1-N 2.67Å; E39-T98 WeakPolarHBondContact CA-OG1 3.17Å; E39-T98 PolarHBondContact O-OG1 2.92Å |
| 40 | T | 62.8 | Low | 85.2 | Confident | 48 Ų | 48 | 45.1 Ų | 45.1 | 29% | 0.294 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -109.4 | 150.4 | -172 | 53.8 | 0 | 0 | 0 | 0 | 114.3 | D37 Y38 R42 | D37-T40 WeakPolarHBondContact OD2-CG2 3.11Å; Y38-T40 PolarHBondContact O-N 3.34Å; T40-R42 PolarHBondContact O-N 2.89Å; T40-R42 WeakPolarHBondContact OG1-CD 3.36Å; T40-R42 WeakPolarHBondContact OG1-CG 3.24Å |
| 41 | L | 69.8 | Low | 85.3 | Confident | 120 Ų | 120 | 46.4 Ų | 46.4 | 63% | 0.628 | 26% | 0.259 | S | S | * | . | trans | -70.7 | 32.5 | 170.4 | -74.8 | 171.2 | 0 | 0 | 0 | 113.5 | E99 | L41-E99 HydrophobicContact CD2-CG 3.65Å; L41-E99 VanDerWaalsContact CD2-OE1 3.29Å; L41-E99 WeakPolarHBondContact CD2-OE1 3.47Å | ||
| 42 | R | 84.2 | Confident | 85.3 | Confident | 114 Ų | 114 | 50.8 Ų | 50.8 | 43% | 0.43 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 143.4 | 176.9 | -77.6 | 178.3 | 75.9 | -162 | 3.2 | 109.7 | T40 Y75 M76 | T40-R42 PolarHBondContact O-N 2.89Å; T40-R42 WeakPolarHBondContact OG1-CD 3.36Å; T40-R42 WeakPolarHBondContact OG1-CG 3.24Å; R42-Y75 CarbonylContact O-C 3.4Å; R42-Y75 VanDerWaalsContact O-CA 3.27Å; R42-Y75 WeakPolarHBondContact O-CA 3.37Å; R42-M76 HydrophobicContact CB-CB 4.36Å; R42-M76 WeakPolarHBondContact O-CB 3.4Å; R42-M76 PolarHBondContact O-N 3.2Å |
| 43 | Q | 88.8 | Confident | 85.7 | Confident | 63 Ų | 63 | 50.4 Ų | 50.4 | 29% | 0.294 | 29% | 0.288 | S | S | . | . | B | Isolated β-bridge | trans | -64.4 | 142.7 | 174.2 | -67.9 | 178 | 10.7 | 0 | 0 | 110.2 | D45 V62 V73 | Q43-D45 PolarHBondContact O-N 3.31Å; Q43-V62 PolarHBondContact NE2-O 3.45Å; Q43-V62 PolarHBondContact OE1-O 3.14Å; Q43-V73 HydrophobicContact CB-CG1 3.82Å; Q43-V73 HydrophobicContact CG-CB 4.15Å; Q43-V73 HydrophobicContact CG-CG1 3.86Å |
| 44 | I | 92 | Very high | 86.1 | Confident | 7 Ų | 7 | 50.7 Ų | 50.7 | 4% | 0.036 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 135.3 | 168.3 | -160.2 | 170 | 0 | 0 | 0 | 109 | F29 V73 P74 L91 W115 | F29-I44 HydrophobicContact CB-CD1 4.08Å; I44-V73 HydrophobicContact CG2-CG1 4.3Å; I44-P74 HydrophobicContact CB-CB 4.22Å; I44-P74 HydrophobicContact CG2-CB 3.86Å; I44-P74 HydrophobicContact CG2-CG 3.77Å; I44-P74 PolarHBondContact N-O 3.36Å; I44-L91 HydrophobicContact CD1-CD1 3.66Å; I44-W115 HydrophobicContact CG2-CH2 4.11Å; I44-W115 HydrophobicContact CG2-CZ2 3.59Å |
| 45 | D | 92.6 | Very high | 86.6 | Confident | 12 Ų | 12 | 50.1 Ų | 50.1 | 6% | 0.064 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -87.5 | 153.2 | 175.1 | 55 | 10 | 0 | 0 | 0 | 111.8 | R14 F29 G30 Q43 H47 K58 M76 | R14-D45 IonicContact CZ-OD2 2.73Å; R14-D45 VanDerWaalsContact CZ-OD2 3.28Å; R14-D45 IonicContact NE-OD1 2.86Å; R14-D45 IonicContact NE-OD2 3.02Å; R14-D45 PolarHBondContact NE-OD2 3.12Å; R14-D45 VanDerWaalsContact NE-OD2 3.13Å; R14-D45 IonicContact NH2-OD2 3.82Å; R14-D45 PolarHBondContact NH2-OD2 2.94Å; F29-D45 WeakPolarHBondContact CA-O 3.28Å; G30-D45 WeakPolarHBondContact CA-OD1 3.37Å; G30-D45 PolarHBondContact N-O 2.61Å; G30-D45 VanDerWaalsContact N-O 3.09Å; G30-D45 PolarHBondContact N-OD1 3.38Å; Q43-D45 PolarHBondContact O-N 3.31Å; D45-H47 VanDerWaalsContact CG-CE1 3.48Å; D45-H47 IonicContact OD1-CE1 3.38Å; D45-H47 IonicContact OD2-CE1 3.2Å; D45-H47 PolarHBondContact OD2-CE1 3.47Å; D45-H47 IonicContact OD2-ND1 3.86Å; D45-K58 IonicContact OD2-NZ 3.79Å; D45-M76 HydrophobicContact CB-CE 4.26Å |
| 46 | V | 96.4 | Very high | 87.5 | Confident | 6 Ų | 6 | 46.6 Ų | 46.6 | 4% | 0.036 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 119.3 | 176.3 | -172.5 | 0 | 0 | 0 | 0 | 108.2 | Y27 S28 F29 L59 F108 W115 | Y27-V46 HydrophobicContact CD1-CG1 4.11Å; S28-V46 WeakPolarHBondContact O-CA 3.42Å; F29-V46 HydrophobicContact CD1-CB 4.47Å; F29-V46 HydrophobicContact CD1-CG1 4.18Å; F29-V46 HydrophobicContact CD1-CG2 3.73Å; F29-V46 HydrophobicContact CE1-CB 4.4Å; F29-V46 HydrophobicContact CE1-CG1 3.77Å; F29-V46 HydrophobicContact CE1-CG2 3.78Å; F29-V46 HydrophobicContact CZ-CG1 4.21Å; V46-L59 HydrophobicContact CB-CB 4.26Å; V46-L59 HydrophobicContact CB-CD1 3.99Å; V46-L59 HydrophobicContact CB-CG 4.31Å; V46-L59 HydrophobicContact CG1-CD1 3.85Å; V46-L59 HydrophobicContact CG1-CG 4.37Å; V46-L59 PolarHBondContact O-N 2.67Å; V46-F108 HydrophobicContact CG1-CE1 4.46Å; V46-F108 HydrophobicContact CG1-CZ 4.23Å; V46-F108 HydrophobicContact CG2-CE2 4.35Å; V46-W115 HydrophobicContact CG2-CZ2 3.84Å |
| 47 | H | 97.6 | Very high | 88.3 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.009 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 136 | 174.1 | -61.5 | 95.3 | 0 | 0 | 0 | 109.6 | P12 Y27 S28 D45 W56 T57 | P12-H47 HydrophobicContact CB-CB 4.22Å; P12-H47 HydrophobicContact CG-CB 4.1Å; Y27-H47 CarbonylContact C-O 3.48Å; Y27-H47 WeakPolarHBondContact CA-O 3.38Å; S28-H47 PolarHBondContact N-O 3.29Å; S28-H47 PolarHBondContact O-N 3.19Å; D45-H47 VanDerWaalsContact CG-CE1 3.48Å; D45-H47 IonicContact OD1-CE1 3.38Å; D45-H47 IonicContact OD2-CE1 3.2Å; D45-H47 PolarHBondContact OD2-CE1 3.47Å; D45-H47 IonicContact OD2-ND1 3.86Å; H47-W56 HydrophobicContact CB-CE3 3.86Å; H47-W56 HydrophobicContact CB-CZ3 3.88Å; H47-T57 CarbonylContact C-O 3.59Å; H47-T57 WeakPolarHBondContact CA-O 3.4Å |
| 48 | I | 97.9 | Very high | 89.5 | Confident | 14 Ų | 14 | 48.2 Ų | 48.2 | 7% | 0.072 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 120.5 | 179.2 | -50.6 | 179.6 | 0 | 0 | 0 | 108.4 | R25 V26 Y27 W56 T57 L59 | R25-I48 HydrophobicContact CB-CG2 4.12Å; R25-I48 HydrophobicContact CG-CG2 4.35Å; V26-I48 CarbonylContact O-C 3.59Å; V26-I48 WeakPolarHBondContact O-CA 3.48Å; Y27-I48 HydrophobicContact CD1-CD1 4Å; Y27-I48 HydrophobicContact CD1-CG1 3.7Å; Y27-I48 HydrophobicContact CE1-CD1 3.37Å; Y27-I48 HydrophobicContact CE1-CG1 3.61Å; Y27-I48 HydrophobicContact CE1-CG2 4.38Å; Y27-I48 HydrophobicContact CG-CG1 4.49Å; I48-W56 CarbonylContact O-C 3.58Å; I48-W56 WeakPolarHBondContact O-CA 3.17Å; I48-T57 PolarHBondContact N-O 2.87Å; I48-T57 PolarHBondContact O-N 2.88Å; I48-L59 HydrophobicContact CD1-CD1 4.02Å; I48-L59 HydrophobicContact CD1-CD2 3.64Å; I48-L59 HydrophobicContact CD1-CG 3.85Å; I48-L59 HydrophobicContact CG1-CD2 4.42Å; I48-L59 HydrophobicContact CG1-CG 4.21Å |
| 49 | F | 98.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 132.3 | 166.6 | -179.9 | -112.6 | 0 | 0 | 0 | 109.6 | R25 V26 A51 L54 R55 W56 V304 L329 I331 | R25-F49 CarbonylContact C-O 3.51Å; R25-F49 WeakPolarHBondContact CA-O 3.26Å; V26-F49 HydrophobicContact CB-CB 4.17Å; V26-F49 HydrophobicContact CG2-CD1 4.47Å; V26-F49 PolarHBondContact N-O 3.4Å; V26-F49 PolarHBondContact O-N 2.68Å; F49-A51 HydrophobicContact CD1-CB 4.41Å; F49-A51 HydrophobicContact CE1-CB 4.03Å; F49-L54 HydrophobicContact CE1-CD2 4.39Å; F49-L54 VanDerWaalsContact CE2-C 3.44Å; F49-L54 HydrophobicContact CE2-CB 4.38Å; F49-L54 HydrophobicContact CZ-CB 4.26Å; F49-L54 HydrophobicContact CZ-CD2 3.7Å; F49-R55 WeakPolarHBondContact CA-O 3.17Å; F49-W56 HydrophobicContact CB-CD2 3.76Å; F49-W56 HydrophobicContact CB-CE3 3.61Å; F49-W56 HydrophobicContact CB-CH2 3.6Å; F49-W56 HydrophobicContact CB-CZ2 3.76Å; F49-W56 HydrophobicContact CB-CZ3 3.53Å; F49-W56 AromaticContact CD2-CD1 3.94Å; F49-W56 AromaticContact CD2-CD2 3.95Å; F49-W56 HydrophobicContact CD2-CD2 3.95Å; F49-W56 AromaticContact CD2-CE2 3.7Å; F49-W56 HydrophobicContact CD2-CG 4.11Å; F49-W56 HydrophobicContact CD2-CZ2 4.22Å; F49-W56 AromaticContact CD2-NE1 3.68Å; F49-W56 HydrophobicContact CG-CD2 4.31Å; F49-W56 HydrophobicContact CG-CH2 4.45Å; F49-W56 HydrophobicContact CG-CZ2 4.15Å; F49-V304 HydrophobicContact CD1-CG1 3.93Å; F49-V304 HydrophobicContact CD1-CG2 4.31Å; F49-V304 HydrophobicContact CE1-CG1 3.91Å; F49-V304 HydrophobicContact CE1-CG2 3.99Å; F49-L329 HydrophobicContact CD1-CD1 4.17Å; F49-L329 HydrophobicContact CD2-CD1 3.62Å; F49-L329 HydrophobicContact CE1-CD1 3.95Å; F49-L329 HydrophobicContact CE2-CD1 3.38Å; F49-L329 HydrophobicContact CE2-CD2 4.23Å; F49-L329 HydrophobicContact CE2-CG 4.47Å; F49-L329 HydrophobicContact CG-CD1 4Å; F49-L329 HydrophobicContact CZ-CD1 3.55Å; F49-L329 HydrophobicContact CZ-CD2 3.91Å; F49-L329 HydrophobicContact CZ-CG 4.42Å; F49-I331 HydrophobicContact CE1-CD1 4.43Å; F49-I331 HydrophobicContact CZ-CD1 4.28Å |
| 50 | N | 97.5 | Very high | 91.9 | Very high | 38 Ų | 38 | 46.3 Ų | 46.3 | 20% | 0.203 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 114.8 | 169.7 | -178.9 | -34.2 | 0 | 0 | 0 | 109.1 | H24 V52 S53 L54 R55 | H24-N50 PolarHBondContact CD2-OD1 3.22Å; N50-V52 PolarHBondContact O-N 2.75Å; N50-V52 WeakPolarHBondContact OD1-CA 3.45Å; N50-V52 VanDerWaalsContact OD1-CB 3.31Å; N50-V52 WeakPolarHBondContact OD1-CB 3.45Å; N50-V52 PolarHBondContact OD1-N 3Å; N50-S53 WeakPolarHBondContact CB-OG 3.31Å; N50-S53 PolarHBondContact OD1-N 3.43Å; N50-L54 VanDerWaalsContact O-CA 3.23Å; N50-L54 WeakPolarHBondContact O-CA 3.44Å; N50-L54 PolarHBondContact O-N 3.43Å; N50-R55 PolarHBondContact N-O 3.3Å; N50-R55 PolarHBondContact O-N 2.95Å |
| 51 | A | 96.8 | Very high | 93 | Very high | 28 Ų | 28 | 49 Ų | 49 | 23% | 0.231 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -11.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | H24 F49 L54 V299 | H24-A51 VanDerWaalsContact O-CB 3.23Å; H24-A51 WeakPolarHBondContact O-CB 3.49Å; H24-A51 PolarHBondContact O-N 3.13Å; F49-A51 HydrophobicContact CD1-CB 4.41Å; F49-A51 HydrophobicContact CE1-CB 4.03Å; A51-L54 WeakPolarHBondContact O-CD2 3.44Å; A51-V299 HydrophobicContact CB-CB 4.46Å; A51-V299 HydrophobicContact CB-CG1 3.76Å |
| 52 | V | 94.9 | Very high | 93.6 | Very high | 91 Ų | 91 | 46.3 Ų | 46.3 | 55% | 0.552 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -51.4 | 173.9 | -176.9 | 0 | 0 | 0 | 0 | 110.1 | H24 N50 W362 | H24-V52 HydrophobicContact CB-CG2 4.03Å; N50-V52 PolarHBondContact O-N 2.75Å; N50-V52 WeakPolarHBondContact OD1-CA 3.45Å; N50-V52 VanDerWaalsContact OD1-CB 3.31Å; N50-V52 WeakPolarHBondContact OD1-CB 3.45Å; N50-V52 PolarHBondContact OD1-N 3Å; V52-W362 HydrophobicContact CG1-CH2 4.35Å; V52-W362 WeakPolarHBondContact O-CH2 3.5Å |
| 53 | S | 95.6 | Very high | 93.2 | Very high | 31 Ų | 31 | 50.2 Ų | 50.2 | 22% | 0.217 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -11.9 | 179.9 | 64.1 | 0 | 0 | 0 | 0 | 114.1 | N50 R55 | N50-S53 WeakPolarHBondContact CB-OG 3.31Å; N50-S53 PolarHBondContact OD1-N 3.43Å; S53-R55 VanDerWaalsContact C-N 3.26Å; S53-R55 PolarHBondContact O-N 2.9Å; S53-R55 PolarHBondContact O-NH1 3.15Å |
| 54 | L | 97 | Very high | 92.1 | Very high | 13 Ų | 13 | 52.2 Ų | 52.2 | 7% | 0.068 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 38.5 | -174.8 | -54.4 | 176.5 | 0 | 0 | 0 | 112.7 | V6 L8 F49 N50 A51 I331 A366 M367 | V6-L54 HydrophobicContact CG1-CD1 4.19Å; V6-L54 HydrophobicContact CG2-CD1 4.07Å; L8-L54 HydrophobicContact CD1-CB 3.83Å; F49-L54 HydrophobicContact CE1-CD2 4.39Å; F49-L54 VanDerWaalsContact CE2-C 3.44Å; F49-L54 HydrophobicContact CE2-CB 4.38Å; F49-L54 HydrophobicContact CZ-CB 4.26Å; F49-L54 HydrophobicContact CZ-CD2 3.7Å; N50-L54 VanDerWaalsContact O-CA 3.23Å; N50-L54 WeakPolarHBondContact O-CA 3.44Å; N50-L54 PolarHBondContact O-N 3.43Å; A51-L54 WeakPolarHBondContact O-CD2 3.44Å; L54-I331 HydrophobicContact CD2-CD1 3.48Å; L54-I331 VanDerWaalsContact CD2-CD1 3.48Å; L54-A366 HydrophobicContact CB-CB 4.49Å; L54-A366 HydrophobicContact CD1-CB 4.17Å; L54-A366 HydrophobicContact CG-CB 4.45Å; L54-M367 HydrophobicContact CD1-CB 4.36Å; L54-M367 HydrophobicContact CD1-CG 3.73Å |
| 55 | R | 96 | Very high | 90.3 | Very high | 60 Ų | 60 | 56.4 Ų | 56.4 | 23% | 0.226 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 144.1 | -178.6 | -65.3 | -61.6 | 173.4 | -87.6 | -5.4 | 112.6 | F49 N50 S53 N365 A366 T369 | F49-R55 WeakPolarHBondContact CA-O 3.17Å; N50-R55 PolarHBondContact N-O 3.3Å; N50-R55 PolarHBondContact O-N 2.95Å; S53-R55 VanDerWaalsContact C-N 3.26Å; S53-R55 PolarHBondContact O-N 2.9Å; S53-R55 PolarHBondContact O-NH1 3.15Å; R55-N365 PolarHBondContact NH2-O 2.71Å; R55-A366 PolarHBondContact NH1-O 3.42Å; R55-T369 PolarHBondContact NH1-O 2.8Å; R55-T369 PolarHBondContact NH2-O 3.09Å |
| 56 | W | 97.4 | Very high | 88.5 | Confident | 15 Ų | 15 | 60.8 Ų | 60.8 | 6% | 0.057 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 149.5 | 170.3 | -71.6 | 100.8 | 0 | 0 | 0 | 111.6 | P12 H47 I48 F49 F306 L329 I373 | P12-W56 VanDerWaalsContact CD-CE2 3.4Å; P12-W56 HydrophobicContact CG-CD2 4.03Å; P12-W56 HydrophobicContact CG-CE3 3.93Å; P12-W56 HydrophobicContact CG-CH2 3.96Å; P12-W56 HydrophobicContact CG-CZ2 4.04Å; P12-W56 HydrophobicContact CG-CZ3 3.9Å; H47-W56 HydrophobicContact CB-CE3 3.86Å; H47-W56 HydrophobicContact CB-CZ3 3.88Å; I48-W56 CarbonylContact O-C 3.58Å; I48-W56 WeakPolarHBondContact O-CA 3.17Å; F49-W56 HydrophobicContact CB-CD2 3.76Å; F49-W56 HydrophobicContact CB-CE3 3.61Å; F49-W56 HydrophobicContact CB-CH2 3.6Å; F49-W56 HydrophobicContact CB-CZ2 3.76Å; F49-W56 HydrophobicContact CB-CZ3 3.53Å; F49-W56 AromaticContact CD2-CD1 3.94Å; F49-W56 AromaticContact CD2-CD2 3.95Å; F49-W56 HydrophobicContact CD2-CD2 3.95Å; F49-W56 AromaticContact CD2-CE2 3.7Å; F49-W56 HydrophobicContact CD2-CG 4.11Å; F49-W56 HydrophobicContact CD2-CZ2 4.22Å; F49-W56 AromaticContact CD2-NE1 3.68Å; F49-W56 HydrophobicContact CG-CD2 4.31Å; F49-W56 HydrophobicContact CG-CH2 4.45Å; F49-W56 HydrophobicContact CG-CZ2 4.15Å; W56-F306 HydrophobicContact CH2-CD1 4.15Å; W56-F306 AromaticContact CH2-CD2 3.74Å; W56-F306 HydrophobicContact CH2-CD2 3.74Å; W56-F306 AromaticContact CH2-CE1 3.97Å; W56-F306 HydrophobicContact CH2-CE1 3.97Å; W56-F306 AromaticContact CH2-CE2 3.52Å; W56-F306 HydrophobicContact CH2-CE2 3.52Å; W56-F306 HydrophobicContact CH2-CG 4.05Å; W56-F306 AromaticContact CH2-CZ 3.66Å; W56-F306 HydrophobicContact CH2-CZ 3.66Å; W56-F306 HydrophobicContact CZ2-CB 4.27Å; W56-F306 HydrophobicContact CZ2-CD1 4.04Å; W56-F306 AromaticContact CZ2-CD2 3.7Å; W56-F306 HydrophobicContact CZ2-CD2 3.7Å; W56-F306 HydrophobicContact CZ2-CE1 4.33Å; W56-F306 HydrophobicContact CZ2-CE2 4.01Å; W56-F306 AromaticContact CZ2-CG 3.73Å; W56-F306 HydrophobicContact CZ2-CG 3.73Å; W56-F306 HydrophobicContact CZ2-CZ 4.32Å; W56-F306 HydrophobicContact CZ3-CE2 4.49Å; W56-L329 HydrophobicContact CZ2-CD1 3.75Å; W56-I373 HydrophobicContact CB-CD1 4.23Å; W56-I373 HydrophobicContact CB-CG1 3.54Å |
| 57 | T | 96 | Very high | 86.3 | Confident | 84 Ų | 84 | 72.6 Ų | 72.6 | 52% | 0.515 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 133.8 | 169.1 | -60.1 | 0 | 0 | 0 | 0 | 108.4 | H47 I48 | H47-T57 CarbonylContact C-O 3.59Å; H47-T57 WeakPolarHBondContact CA-O 3.4Å; I48-T57 PolarHBondContact N-O 2.87Å; I48-T57 PolarHBondContact O-N 2.88Å |
| 58 | K | 95.2 | Very high | 84.2 | Confident | 89 Ų | 89 | 76.6 Ų | 76.6 | 39% | 0.387 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 128 | 172.2 | -175.8 | 172.3 | -175.6 | 158.9 | 0 | 109 | D45 I373 | D45-K58 IonicContact OD2-NZ 3.79Å; K58-I373 HydrophobicContact CB-CD1 4.41Å |
| 59 | L | 93.9 | Very high | 82.1 | Confident | 30 Ų | 30 | 82.1 Ų | 82.1 | 16% | 0.157 | 46% | 0.464 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 143.9 | 172.5 | -68.4 | -171.3 | 0 | 0 | 0 | 110.7 | V46 I48 F108 H113 | V46-L59 HydrophobicContact CB-CB 4.26Å; V46-L59 HydrophobicContact CB-CD1 3.99Å; V46-L59 HydrophobicContact CB-CG 4.31Å; V46-L59 HydrophobicContact CG1-CD1 3.85Å; V46-L59 HydrophobicContact CG1-CG 4.37Å; V46-L59 PolarHBondContact O-N 2.67Å; I48-L59 HydrophobicContact CD1-CD1 4.02Å; I48-L59 HydrophobicContact CD1-CD2 3.64Å; I48-L59 HydrophobicContact CD1-CG 3.85Å; I48-L59 HydrophobicContact CG1-CD2 4.42Å; I48-L59 HydrophobicContact CG1-CG 4.21Å; L59-F108 HydrophobicContact CD1-CE2 4.4Å; L59-F108 HydrophobicContact CD1-CZ 3.71Å; L59-H113 HydrophobicContact CD1-CB 3.99Å |
| 60 | P | 90 | Very high | 80 | Confident | 107 Ų | 107 | 85.7 Ų | 85.7 | 70% | 0.695 | 49% | 0.493 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 149.4 | 176.2 | 28.6 | -34.4 | 0 | 0 | 0 | 110.8 | ||
| 61 | P | 84.4 | Confident | 78.6 | Confident | 105 Ų | 105 | 87.8 Ų | 87.8 | 68% | 0.682 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -57.6 | 146 | 172.6 | -22.7 | 33.1 | 0 | 0 | 0 | 111.9 | K63 | P61-K63 PolarHBondContact O-N 2.87Š|
| 62 | V | 83.9 | Confident | 77.9 | Confident | 63 Ų | 63 | 89.5 Ų | 89.5 | 38% | 0.382 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -77.5 | 123.8 | 176.8 | -176.1 | 0 | 0 | 0 | 0 | 108.6 | Q43 S64 V73 | Q43-V62 PolarHBondContact NE2-O 3.45Å; Q43-V62 PolarHBondContact OE1-O 3.14Å; V62-S64 PolarHBondContact O-N 3.43Å; V62-V73 HydrophobicContact CB-CG2 3.8Å; V62-V73 HydrophobicContact CG1-CG2 4.18Å; V62-V73 HydrophobicContact CG2-CG2 3.84Å |
| 63 | K | 76 | Confident | 77.6 | Confident | 197 Ų | 197 | 85.9 Ų | 85.9 | 86% | 0.857 | 49% | 0.494 | S | S | * | . | trans | -69.8 | 115.3 | 173.6 | -63.8 | -177.9 | -179.2 | -179.6 | 0 | 108.6 | P61 A65 | P61-K63 PolarHBondContact O-N 2.87Å; K63-A65 PolarHBondContact O-N 2.84Å | ||
| 64 | S | 64.2 | Low | 77.4 | Confident | 105 Ų | 105 | 84.4 Ų | 84.4 | 73% | 0.734 | 48% | 0.484 | S | S | * | . | trans | -67.1 | 127.3 | 176.6 | -175.2 | 0 | 0 | 0 | 0 | 109.8 | V62 | V62-S64 PolarHBondContact O-N 3.43Š| ||
| 65 | A | 53.8 | Low | 77.1 | Confident | 95 Ų | 95 | 84.9 Ų | 84.9 | 79% | 0.785 | 49% | 0.485 | S | S | * | . | trans | -98 | -15.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | K63 | K63-A65 PolarHBondContact O-N 2.84Š| ||
| 66 | I | 55.1 | Low | 76.8 | Confident | 104 Ų | 104 | 82.3 Ų | 82.3 | 53% | 0.533 | 48% | 0.476 | S | S | . | . | trans | -148.9 | 127.9 | -169.7 | -51.2 | 179.2 | 0 | 0 | 0 | 111.7 | ||||
| 67 | R | 51.8 | Low | 76.7 | Confident | 253 Ų | 253 | 81.6 Ų | 81.6 | 96% | 0.955 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | 132.5 | 169.3 | -73.5 | -176.5 | -178.2 | -171 | 0.2 | 109.7 | ||
| 68 | G | 52.4 | Low | 76.6 | Confident | 87 Ų | 87 | 79.4 Ų | 79.4 | 90% | 0.897 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.6 | 2.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 69 | Q | 53.7 | Low | 76.7 | Confident | 130 Ų | 130 | 75.3 Ų | 75.3 | 61% | 0.607 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -95.1 | 149.8 | 166.4 | -73.1 | -175.7 | -17.6 | 0 | 0 | 110.5 | ||
| 70 | A | 55.3 | Low | 76.9 | Confident | 74 Ų | 74 | 74.4 Ų | 74.4 | 61% | 0.612 | 43% | 0.434 | S | S | * | . | trans | -50.1 | 138.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | V72 | A70-V72 PolarHBondContact O-N 3.31Š| ||
| 71 | P | 66.8 | Low | 77.3 | Confident | 83 Ų | 83 | 69.9 Ų | 69.9 | 54% | 0.539 | 40% | 0.404 | S | S | . | . | trans | -59.8 | 113.1 | -175.2 | 23.2 | -31.4 | 0 | 0 | 0 | 108.2 | V73 Y106 | P71-V73 PolarHBondContact O-N 3.01Å; P71-Y106 WeakPolarHBondContact O-CE1 3.46Å | ||
| 72 | V | 82 | Confident | 78 | Confident | 63 Ų | 63 | 65.7 Ų | 65.7 | 38% | 0.382 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -64.1 | -24.6 | -177.7 | -176.6 | 0 | 0 | 0 | 0 | 110.7 | A70 W115 | A70-V72 PolarHBondContact O-N 3.31Å; V72-W115 HydrophobicContact CG1-CB 4.3Å; V72-W115 WeakPolarHBondContact CG1-O 3.44Å; V72-W115 VanDerWaalsContact O-CB 3.22Å; V72-W115 WeakPolarHBondContact O-CB 3.36Å |
| 73 | V | 89.4 | Confident | 78.7 | Confident | 15 Ų | 15 | 63.1 Ų | 63.1 | 9% | 0.091 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -105.6 | 133.4 | 178.2 | -172.7 | 0 | 0 | 0 | 0 | 109.1 | Q43 I44 V62 P71 W115 | Q43-V73 HydrophobicContact CB-CG1 3.82Å; Q43-V73 HydrophobicContact CG-CB 4.15Å; Q43-V73 HydrophobicContact CG-CG1 3.86Å; I44-V73 HydrophobicContact CG2-CG1 4.3Å; V62-V73 HydrophobicContact CB-CG2 3.8Å; V62-V73 HydrophobicContact CG1-CG2 4.18Å; V62-V73 HydrophobicContact CG2-CG2 3.84Å; P71-V73 PolarHBondContact O-N 3.01Å; V73-W115 HydrophobicContact CB-CG 4.45Å; V73-W115 HydrophobicContact CG1-CG 4.26Å; V73-W115 HydrophobicContact CG2-CB 4.13Å; V73-W115 HydrophobicContact CG2-CG 4.15Å |
| 74 | P | 92 | Very high | 79.8 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 143.7 | 173.8 | -12.4 | 20.2 | 0 | 0 | 0 | 111.3 | I44 L91 Y106 W115 | I44-P74 HydrophobicContact CB-CB 4.22Å; I44-P74 HydrophobicContact CG2-CB 3.86Å; I44-P74 HydrophobicContact CG2-CG 3.77Å; I44-P74 PolarHBondContact N-O 3.36Å; P74-L91 HydrophobicContact CG-CD1 4.48Å; P74-Y106 HydrophobicContact CB-CD1 4.34Å; P74-Y106 HydrophobicContact CB-CD2 3.99Å; P74-Y106 HydrophobicContact CB-CE1 4.37Å; P74-Y106 HydrophobicContact CB-CE2 4.01Å; P74-Y106 HydrophobicContact CB-CG 4.16Å; P74-Y106 HydrophobicContact CG-CD1 3.7Å; P74-Y106 HydrophobicContact CG-CD2 3.83Å; P74-Y106 HydrophobicContact CG-CE1 4.17Å; P74-Y106 HydrophobicContact CG-CE2 4.28Å; P74-Y106 HydrophobicContact CG-CG 3.51Å; P74-W115 HydrophobicContact CG-CD2 4.33Å; P74-W115 HydrophobicContact CG-CE3 3.84Å; P74-W115 HydrophobicContact CG-CH2 3.81Å; P74-W115 HydrophobicContact CG-CZ2 4.28Å; P74-W115 HydrophobicContact CG-CZ3 3.56Å |
| 75 | Y | 90.3 | Very high | 81.4 | Confident | 23 Ų | 23 | 51.7 Ų | 51.7 | 9% | 0.09 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -65.1 | 157.5 | 162.2 | 64.1 | -98.1 | 0 | 0 | 0 | 111.2 | R42 R77 N96 E99 G100 | R42-Y75 CarbonylContact O-C 3.4Å; R42-Y75 VanDerWaalsContact O-CA 3.27Å; R42-Y75 WeakPolarHBondContact O-CA 3.37Å; Y75-R77 HydrophobicContact CD2-CB 4.26Å; Y75-R77 HydrophobicContact CE2-CB 4.06Å; Y75-R77 VanDerWaalsContact CE2-CZ 3.41Å; Y75-R77 VanDerWaalsContact O-CZ 3.32Å; Y75-R77 PolarHBondContact O-N 3.36Å; Y75-R77 PolarHBondContact O-NE 3.3Å; Y75-R77 PolarHBondContact O-NH2 2.99Å; Y75-R77 PolarHBondContact OH-NH1 2.87Å; Y75-N96 HydrophobicContact CD2-CB 4.35Å; Y75-N96 VanDerWaalsContact CD2-ND2 3.29Å; Y75-N96 WeakPolarHBondContact CD2-ND2 3.46Å; Y75-N96 HydrophobicContact CE2-CB 4.09Å; Y75-N96 WeakPolarHBondContact CE2-OD1 3.44Å; Y75-E99 HydrophobicContact CD1-CB 4.37Å; Y75-E99 HydrophobicContact CD1-CG 4.14Å; Y75-E99 HydrophobicContact CD2-CB 4.46Å; Y75-E99 HydrophobicContact CD2-CG 4.42Å; Y75-E99 HydrophobicContact CE1-CB 3.79Å; Y75-E99 HydrophobicContact CE1-CG 4.06Å; Y75-E99 HydrophobicContact CE2-CB 3.86Å; Y75-E99 HydrophobicContact CE2-CG 4.31Å; Y75-E99 HydrophobicContact CG-CG 4.35Å; Y75-E99 VanDerWaalsContact CZ-CB 3.47Å; Y75-G100 PolarHBondContact OH-O 3.48Å |
| 76 | M | 90.4 | Very high | 83.4 | Confident | 6 Ų | 6 | 52.4 Ų | 52.4 | 3% | 0.03 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -61.6 | 124.6 | 178 | -177.6 | 63.3 | 81 | 0 | 0 | 109.8 | Y38 R42 D45 N96 | Y38-M76 HydrophobicContact CD1-CG 3.97Å; Y38-M76 HydrophobicContact CE1-CG 3.68Å; R42-M76 HydrophobicContact CB-CB 4.36Å; R42-M76 WeakPolarHBondContact O-CB 3.4Å; R42-M76 PolarHBondContact O-N 3.2Å; D45-M76 HydrophobicContact CB-CE 4.26Å; M76-N96 WeakPolarHBondContact O-CB 3.46Å |
| 77 | R | 93.5 | Very high | 85.3 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | trans | -152.9 | 167.8 | -173.4 | 77.4 | -169.1 | 68 | -119.1 | -5.5 | 110.9 | G31 Y75 H80 G93 R95 | G31-R77 WeakPolarHBondContact CA-O 3.4Å; G31-R77 PolarHBondContact N-O 2.86Å; Y75-R77 HydrophobicContact CD2-CB 4.26Å; Y75-R77 HydrophobicContact CE2-CB 4.06Å; Y75-R77 VanDerWaalsContact CE2-CZ 3.41Å; Y75-R77 VanDerWaalsContact O-CZ 3.32Å; Y75-R77 PolarHBondContact O-N 3.36Å; Y75-R77 PolarHBondContact O-NE 3.3Å; Y75-R77 PolarHBondContact O-NH2 2.99Å; Y75-R77 PolarHBondContact OH-NH1 2.87Å; R77-H80 HydrophobicContact CG-CB 4.34Å; R77-H80 WeakPolarHBondContact CG-ND1 3.46Å; R77-H80 PolarHBondContact O-CE1 3.02Å; R77-G93 WeakPolarHBondContact CD-O 3.09Å; R77-R95 VanDerWaalsContact CA-O 3.31Å; R77-R95 WeakPolarHBondContact CA-O 3.34Å; R77-R95 VanDerWaalsContact CB-O 3.32Å; R77-R95 WeakPolarHBondContact CB-O 3.39Å | ||
| 78 | Y | 95.4 | Very high | 87.5 | Confident | 39 Ų | 39 | 41 Ų | 41 | 15% | 0.153 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 161.7 | 174.4 | 56.6 | -97.6 | 0 | 0 | 0 | 111.4 | Y32 H80 G94 R95 D97 | Y32-Y78 HydrophobicContact CD1-CD1 4.44Å; Y32-Y78 HydrophobicContact CD1-CG 4.25Å; Y78-H80 PolarHBondContact O-N 3.5Å; Y78-G94 CarbonylContact O-C 3.34Å; Y78-G94 WeakPolarHBondContact O-CA 3.23Å; Y78-R95 WeakPolarHBondContact CD1-O 2.88Å; Y78-R95 HydrophobicContact CD2-CG 4.21Å; Y78-R95 HydrophobicContact CE2-CG 3.63Å; Y78-R95 PolarHBondContact N-O 3.21Å; Y78-R95 PolarHBondContact O-N 2.85Å; Y78-D97 PolarHBondContact OH-OD1 2.74Å |
| 79 | G | 96.9 | Very high | 89.7 | Confident | 3 Ų | 3 | 36.8 Ų | 36.8 | 3% | 0.031 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 73.3 | 12 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | N16 D129 G130 | N16-G79 WeakPolarHBondContact ND2-CA 3.27Å; N16-G79 PolarHBondContact ND2-N 3.14Å; N16-G79 VanDerWaalsContact ND2-N 3.11Å; N16-G79 PolarHBondContact O-N 3.48Å; G79-D129 CarbonylContact O-C 3.44Å; G79-D129 WeakPolarHBondContact O-CA 3.44Å; G79-D129 WeakPolarHBondContact O-CB 3.46Å; G79-G130 PolarHBondContact O-N 2.86Å |
| 80 | H | 98.3 | Very high | 91.9 | Very high | 11 Ų | 11 | 30.8 Ų | 30.8 | 5% | 0.051 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 165.8 | 165.5 | 54.7 | -74.9 | 0 | 0 | 0 | 110.7 | F29 R77 Y78 L91 W92 G93 G94 | F29-H80 PolarHBondContact O-CE1 3.31Å; F29-H80 PolarHBondContact O-NE2 3.3Å; R77-H80 HydrophobicContact CG-CB 4.34Å; R77-H80 WeakPolarHBondContact CG-ND1 3.46Å; R77-H80 PolarHBondContact O-CE1 3.02Å; Y78-H80 PolarHBondContact O-N 3.5Å; H80-L91 HydrophobicContact CB-CD2 4.23Å; H80-L91 HydrophobicContact CB-CG 4.42Å; H80-W92 WeakPolarHBondContact CA-O 3.49Å; H80-W92 WeakPolarHBondContact CB-O 3.02Å; H80-G93 WeakPolarHBondContact CB-O 3.17Å; H80-G94 VanDerWaalsContact N-CA 3.31Å |
| 81 | S | 98.5 | Very high | 94 | Very high | 12 Ų | 12 | 27.3 Ų | 27.3 | 8% | 0.084 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 152.1 | 168.9 | 65.6 | 0 | 0 | 0 | 0 | 110.3 | L91 W92 H131 A133 | S81-L91 WeakPolarHBondContact O-CA 3.24Å; S81-W92 PolarHBondContact N-O 3.13Å; S81-W92 PolarHBondContact O-N 2.83Å; S81-H131 WeakPolarHBondContact CB-NE2 3.24Å; S81-H131 PolarHBondContact OG-CD2 3.41Å; S81-H131 PolarHBondContact OG-NE2 3.31Å; S81-A133 VanDerWaalsContact OG-CB 3.27Å; S81-A133 WeakPolarHBondContact OG-CB 3.32Å |
| 82 | T | 98.6 | Very high | 95.5 | Very high | 16 Ų | 16 | 23.3 Ų | 23.3 | 10% | 0.098 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 143.9 | 169 | 52.9 | 0 | 0 | 0 | 0 | 110.7 | A18 A19 F29 V89 L90 L91 | A18-T82 HydrophobicContact CB-CG2 3.88Å; A18-T82 VanDerWaalsContact CB-OG1 3.3Å; A18-T82 WeakPolarHBondContact CB-OG1 3.2Å; A19-T82 PolarHBondContact N-OG1 2.86Å; F29-T82 HydrophobicContact CB-CG2 4.39Å; F29-T82 HydrophobicContact CD2-CG2 4.02Å; F29-T82 HydrophobicContact CG-CG2 4.3Å; T82-V89 HydrophobicContact CG2-CG1 4.08Å; T82-L90 CarbonylContact C-O 3.56Å; T82-L90 WeakPolarHBondContact CA-O 3.32Å; T82-L91 HydrophobicContact CG2-CB 3.92Å; T82-L91 HydrophobicContact CG2-CD1 3.96Å; T82-L91 HydrophobicContact CG2-CG 3.93Å |
| 83 | V | 98.6 | Very high | 96.2 | Very high | 9 Ų | 9 | 20.3 Ų | 20.3 | 6% | 0.055 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 148.5 | 172.4 | -61.7 | 0 | 0 | 0 | 0 | 110.1 | I85 V89 L90 A133 V135 M140 | V83-I85 HydrophobicContact CG2-CD1 4.47Å; V83-V89 CarbonylContact O-C 3.57Å; V83-V89 WeakPolarHBondContact O-CA 3.42Å; V83-L90 HydrophobicContact CG2-CB 3.96Å; V83-L90 PolarHBondContact N-O 2.8Å; V83-L90 PolarHBondContact O-N 3.37Å; V83-A133 HydrophobicContact CG1-CB 3.75Å; V83-V135 HydrophobicContact CB-CG2 3.47Å; V83-V135 VanDerWaalsContact CB-CG2 3.47Å; V83-V135 HydrophobicContact CG1-CG2 3.81Å; V83-V135 HydrophobicContact CG2-CG2 3.73Å; V83-M140 HydrophobicContact CG1-CE 4.38Å; V83-M140 HydrophobicContact CG2-CB 4.22Å; V83-M140 HydrophobicContact CG2-CE 4.02Å; V83-M140 HydrophobicContact CG2-CG 3.81Å; V83-M140 HydrophobicContact CG2-SD 3.62Å |
| 84 | L | 98.4 | Very high | 96.6 | Very high | 53 Ų | 53 | 19.6 Ų | 19.6 | 28% | 0.277 | 10% | 0.104 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 125.7 | 173.1 | -179.4 | 71.3 | 0 | 0 | 0 | 109.1 | V20 A21 V22 V89 V110 | V20-L84 HydrophobicContact CB-CB 4.31Å; V20-L84 HydrophobicContact CG1-CB 4.47Å; A21-L84 WeakPolarHBondContact O-CD2 3.45Å; V22-L84 HydrophobicContact CB-CD2 4.47Å; V22-L84 HydrophobicContact CG2-CD1 3.97Å; V22-L84 HydrophobicContact CG2-CD2 3.84Å; L84-V89 HydrophobicContact CD1-CG2 4.04Å; L84-V110 HydrophobicContact CD1-CG1 4.41Å |
| 85 | I | 98.1 | Very high | 96.7 | Very high | 10 Ų | 10 | 21.9 Ų | 21.9 | 5% | 0.051 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 123.3 | 168.9 | -64 | 176.2 | 0 | 0 | 0 | 107 | V83 D87 T88 L90 V135 M140 T162 | V83-I85 HydrophobicContact CG2-CD1 4.47Å; I85-D87 PolarHBondContact O-N 2.97Å; I85-T88 PolarHBondContact N-O 2.97Å; I85-T88 PolarHBondContact O-N 3.33Å; I85-T88 VanDerWaalsContact O-O 3.12Å; I85-L90 HydrophobicContact CD1-CD1 4.12Å; I85-V135 HydrophobicContact CD1-CG1 4.02Å; I85-V135 HydrophobicContact CD1-CG2 3.98Å; I85-V135 HydrophobicContact CG1-CG1 3.78Å; I85-V135 HydrophobicContact CG1-CG2 3.88Å; I85-M140 HydrophobicContact CD1-CB 4.15Å; I85-T162 HydrophobicContact CD1-CG2 3.55Å |
| 86 | D | 95.3 | Very high | 96.7 | Very high | 110 Ų | 110 | 20.9 Ų | 20.9 | 59% | 0.588 | 11% | 0.109 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | -121.2 | -169.2 | -55.7 | -32.7 | 0 | 0 | 0 | 110.1 | K138 | D86-K138 IonicContact OD2-NZ 3.46Š|
| 87 | D | 96.1 | Very high | 96.3 | Very high | 82 Ų | 82 | 26 Ų | 26 | 44% | 0.439 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 16.2 | 177.1 | -69.8 | -34.5 | 0 | 0 | 0 | 113.2 | I85 V110 N111 | I85-D87 PolarHBondContact O-N 2.97Å; D87-V110 HydrophobicContact CB-CG2 4Å; D87-V110 VanDerWaalsContact O-CG2 3.26Å; D87-V110 WeakPolarHBondContact O-CG2 3.43Å; D87-V110 PolarHBondContact O-N 3.01Å; D87-V110 VanDerWaalsContact O-N 3.09Å; D87-N111 WeakPolarHBondContact CB-ND2 3.26Å; D87-N111 PolarHBondContact OD2-ND2 2.73Å |
| 88 | T | 98.3 | Very high | 95.9 | Very high | 34 Ų | 34 | 29.5 Ų | 29.5 | 21% | 0.209 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 124.4 | -176.1 | -59.5 | 0 | 0 | 0 | 0 | 111.1 | I85 L90 A107 F116 | I85-T88 PolarHBondContact N-O 2.97Å; I85-T88 PolarHBondContact O-N 3.33Å; I85-T88 VanDerWaalsContact O-O 3.12Å; T88-L90 HydrophobicContact CG2-CD2 3.94Å; T88-A107 HydrophobicContact CG2-CB 3.71Å; T88-F116 HydrophobicContact CG2-CE1 4.27Å; T88-F116 HydrophobicContact CG2-CZ 3.88Å |
| 89 | V | 98.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 119.3 | 169.1 | -173.3 | 0 | 0 | 0 | 0 | 108.7 | V20 F29 T82 V83 L84 A107 F108 V110 | V20-V89 HydrophobicContact CG1-CG1 4.42Å; V20-V89 HydrophobicContact CG2-CB 4.39Å; V20-V89 HydrophobicContact CG2-CG1 3.89Å; V20-V89 HydrophobicContact CG2-CG2 3.58Å; F29-V89 HydrophobicContact CE2-CB 4.43Å; F29-V89 HydrophobicContact CE2-CG1 3.81Å; F29-V89 HydrophobicContact CE2-CG2 4.35Å; F29-V89 HydrophobicContact CZ-CB 4.14Å; F29-V89 HydrophobicContact CZ-CG1 3.96Å; F29-V89 HydrophobicContact CZ-CG2 4.08Å; T82-V89 HydrophobicContact CG2-CG1 4.08Å; V83-V89 CarbonylContact O-C 3.57Å; V83-V89 WeakPolarHBondContact O-CA 3.42Å; L84-V89 HydrophobicContact CD1-CG2 4.04Å; V89-A107 CarbonylContact O-C 3.48Å; V89-A107 VanDerWaalsContact O-CA 3.3Å; V89-A107 WeakPolarHBondContact O-CA 3.48Å; V89-F108 HydrophobicContact CB-CB 4.28Å; V89-F108 PolarHBondContact N-O 3.19Å; V89-F108 PolarHBondContact O-N 3.5Å; V89-V110 HydrophobicContact CG2-CG1 3.65Å |
| 90 | L | 98.8 | Very high | 95 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 135.1 | 170.8 | -59.4 | -176.6 | 0 | 0 | 0 | 109.5 | T82 V83 I85 T88 L105 Y106 A107 M140 L160 T162 | T82-L90 CarbonylContact C-O 3.56Å; T82-L90 WeakPolarHBondContact CA-O 3.32Å; V83-L90 HydrophobicContact CG2-CB 3.96Å; V83-L90 PolarHBondContact N-O 2.8Å; V83-L90 PolarHBondContact O-N 3.37Å; I85-L90 HydrophobicContact CD1-CD1 4.12Å; T88-L90 HydrophobicContact CG2-CD2 3.94Å; L90-L105 HydrophobicContact CB-CD1 4.18Å; L90-L105 HydrophobicContact CD2-CD1 4.49Å; L90-Y106 CarbonylContact C-O 3.6Å; L90-Y106 WeakPolarHBondContact CA-O 3.23Å; L90-A107 HydrophobicContact CD2-CB 3.93Å; L90-M140 HydrophobicContact CB-SD 4.29Å; L90-M140 HydrophobicContact CD1-SD 4.28Å; L90-L160 HydrophobicContact CD1-CD2 4.14Å; L90-T162 HydrophobicContact CD1-CG2 3.58Å |
| 91 | L | 98.7 | Very high | 94.8 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 127.6 | 176.9 | -175.9 | 155.5 | 0 | 0 | 0 | 109.4 | F29 I44 P74 H80 S81 T82 Y106 W115 | F29-L91 HydrophobicContact CB-CD1 4.29Å; I44-L91 HydrophobicContact CD1-CD1 3.66Å; P74-L91 HydrophobicContact CG-CD1 4.48Å; H80-L91 HydrophobicContact CB-CD2 4.23Å; H80-L91 HydrophobicContact CB-CG 4.42Å; S81-L91 WeakPolarHBondContact O-CA 3.24Å; T82-L91 HydrophobicContact CG2-CB 3.92Å; T82-L91 HydrophobicContact CG2-CD1 3.96Å; T82-L91 HydrophobicContact CG2-CG 3.93Å; L91-Y106 HydrophobicContact CD2-CD2 4.31Å; L91-Y106 PolarHBondContact N-O 3.39Å; L91-Y106 PolarHBondContact O-N 3.44Å; L91-W115 HydrophobicContact CB-CZ3 4.42Å; L91-W115 HydrophobicContact CD1-CH2 4.01Å; L91-W115 HydrophobicContact CD1-CZ3 4.43Å |
| 92 | W | 98.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 141 | 179.7 | -175.3 | -98.1 | 0 | 0 | 0 | 112.1 | H80 S81 N103 L105 V124 P125 H131 M140 W167 | H80-W92 WeakPolarHBondContact CA-O 3.49Å; H80-W92 WeakPolarHBondContact CB-O 3.02Å; S81-W92 PolarHBondContact N-O 3.13Å; S81-W92 PolarHBondContact O-N 2.83Å; W92-N103 VanDerWaalsContact CH2-C 3.49Å; W92-N103 HydrophobicContact CH2-CB 4.05Å; W92-N103 WeakPolarHBondContact CH2-O 3.35Å; W92-N103 HydrophobicContact CZ2-CB 4.03Å; W92-N103 WeakPolarHBondContact CZ3-O 3.38Å; W92-L105 HydrophobicContact CE3-CB 3.94Å; W92-L105 HydrophobicContact CE3-CD1 4.08Å; W92-L105 HydrophobicContact CZ3-CB 3.94Å; W92-V124 HydrophobicContact CH2-CG1 3.62Å; W92-V124 HydrophobicContact CZ2-CG1 4.43Å; W92-P125 HydrophobicContact CH2-CG 4.29Å; W92-P125 HydrophobicContact CZ2-CB 3.73Å; W92-P125 HydrophobicContact CZ2-CG 3.6Å; W92-P125 WeakPolarHBondContact CZ2-O 3.35Å; W92-H131 AromaticContact CD1-CE1 3.83Å; W92-H131 AromaticContact CD1-NE2 3.49Å; W92-H131 PolarHBondContact O-CE1 3.43Å; W92-H131 VanDerWaalsContact O-CE1 3.23Å; W92-H131 PolarHBondContact O-NE2 3.1Å; W92-M140 HydrophobicContact CB-CE 3.89Å; W92-W167 HydrophobicContact CD2-CH2 4.39Å; W92-W167 AromaticContact CD2-CZ2 3.94Å; W92-W167 HydrophobicContact CD2-CZ2 3.94Å; W92-W167 AromaticContact CE3-CZ2 3.72Å; W92-W167 HydrophobicContact CE3-CZ2 3.72Å; W92-W167 HydrophobicContact CH2-CZ2 4.37Å; W92-W167 AromaticContact CZ3-CZ2 3.94Å; W92-W167 HydrophobicContact CZ3-CZ2 3.94Å; W92-W167 AromaticContact CZ3-NE1 3.87Å |
| 93 | G | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 70.4 | -147.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115 | R77 H80 C102 R128 | R77-G93 WeakPolarHBondContact CD-O 3.09Å; H80-G93 WeakPolarHBondContact CB-O 3.17Å; G93-C102 VanDerWaalsContact CA-O 3.31Å; G93-C102 WeakPolarHBondContact CA-O 3.48Å; G93-R128 CarbonylContact C-O 3.59Å; G93-R128 WeakPolarHBondContact CA-O 3.49Å |
| 94 | G | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 78.9 | 164.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y78 H80 A101 C102 R128 | Y78-G94 CarbonylContact O-C 3.34Å; Y78-G94 WeakPolarHBondContact O-CA 3.23Å; H80-G94 VanDerWaalsContact N-CA 3.31Å; G94-A101 CarbonylContact O-C 3.55Å; G94-A101 VanDerWaalsContact O-CA 3.31Å; G94-A101 WeakPolarHBondContact O-CA 3.28Å; G94-C102 PolarHBondContact O-N 2.76Å; G94-R128 PolarHBondContact N-O 3.01Å |
| 95 | R | 93.8 | Very high | 94.3 | Very high | 47 Ų | 47 | 35 Ų | 35 | 18% | 0.177 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 162.2 | -177.5 | 68.7 | 164 | 83.4 | 102.1 | -15.2 | 112.7 | R77 Y78 G100 A101 D129 | R77-R95 VanDerWaalsContact CA-O 3.31Å; R77-R95 WeakPolarHBondContact CA-O 3.34Å; R77-R95 VanDerWaalsContact CB-O 3.32Å; R77-R95 WeakPolarHBondContact CB-O 3.39Å; Y78-R95 WeakPolarHBondContact CD1-O 2.88Å; Y78-R95 HydrophobicContact CD2-CG 4.21Å; Y78-R95 HydrophobicContact CE2-CG 3.63Å; Y78-R95 PolarHBondContact N-O 3.21Å; Y78-R95 PolarHBondContact O-N 2.85Å; R95-G100 VanDerWaalsContact CA-O 3.26Å; R95-G100 WeakPolarHBondContact CA-O 3.23Å; R95-A101 HydrophobicContact CB-CB 4.16Å; R95-D129 HydrophobicContact CG-CB 4.3Å; R95-D129 IonicContact CZ-OD1 2.86Å; R95-D129 IonicContact CZ-OD2 3.45Å; R95-D129 IonicContact NE-OD1 3.15Å; R95-D129 PolarHBondContact NE-OD1 2.79Å; R95-D129 VanDerWaalsContact NE-OD1 3.15Å; R95-D129 IonicContact NE-OD2 3.91Å; R95-D129 VanDerWaalsContact NH1-CG 3.32Å; R95-D129 IonicContact NH1-OD1 3.55Å; R95-D129 IonicContact NH1-OD2 3.02Å; R95-D129 PolarHBondContact NH1-OD2 3.25Å; R95-D129 IonicContact NH2-OD1 2.54Å; R95-D129 PolarHBondContact NH2-OD1 2.96Å; R95-D129 IonicContact NH2-OD2 2.96Å; R95-D129 PolarHBondContact NH2-OD2 3.01Å; R95-D129 VanDerWaalsContact NH2-OD2 3.12Å |
| 96 | N | 90.1 | Very high | 94.3 | Very high | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 179.1 | 156.1 | 70.2 | -7.2 | 0 | 0 | 0 | 108.5 | Y75 M76 T98 E99 G100 | Y75-N96 HydrophobicContact CD2-CB 4.35Å; Y75-N96 VanDerWaalsContact CD2-ND2 3.29Å; Y75-N96 WeakPolarHBondContact CD2-ND2 3.46Å; Y75-N96 HydrophobicContact CE2-CB 4.09Å; Y75-N96 WeakPolarHBondContact CE2-OD1 3.44Å; M76-N96 WeakPolarHBondContact O-CB 3.46Å; N96-T98 VanDerWaalsContact C-N 3.35Å; N96-E99 WeakPolarHBondContact OD1-CA 3.22Å; N96-E99 VanDerWaalsContact OD1-CB 3.29Å; N96-E99 WeakPolarHBondContact OD1-CB 3.36Å; N96-E99 PolarHBondContact OD1-N 3.41Å; N96-G100 PolarHBondContact N-O 3.05Å; N96-G100 WeakPolarHBondContact O-CA 3.3Å; N96-G100 PolarHBondContact O-N 2.97Å; N96-G100 PolarHBondContact OD1-N 3.41Å |
| 97 | D | 83.2 | Confident | 94.5 | Very high | 113 Ų | 113 | 29.7 Ų | 29.7 | 60% | 0.604 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -19.3 | -171.7 | -55.2 | -18.6 | 0 | 0 | 0 | 112.2 | Y78 | Y78-D97 PolarHBondContact OH-OD1 2.74Š|
| 98 | T | 83.6 | Confident | 94.6 | Very high | 74 Ų | 74 | 25.9 Ų | 25.9 | 45% | 0.454 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | -53.4 | -179.1 | -54.6 | 0 | 0 | 0 | 0 | 114.2 | E39 N96 | E39-T98 WeakPolarHBondContact CA-OG1 3.17Å; E39-T98 PolarHBondContact O-OG1 2.92Å; N96-T98 VanDerWaalsContact C-N 3.35Å |
| 99 | E | 83.5 | Confident | 94.5 | Very high | 97 Ų | 97 | 26.1 Ų | 26.1 | 45% | 0.453 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -13.2 | -176 | -60.9 | -68.6 | 139.9 | 0 | 0 | 111.9 | L41 Y75 N96 | L41-E99 HydrophobicContact CD2-CG 3.65Å; L41-E99 VanDerWaalsContact CD2-OE1 3.29Å; L41-E99 WeakPolarHBondContact CD2-OE1 3.47Å; Y75-E99 HydrophobicContact CD1-CB 4.37Å; Y75-E99 HydrophobicContact CD1-CG 4.14Å; Y75-E99 HydrophobicContact CD2-CB 4.46Å; Y75-E99 HydrophobicContact CD2-CG 4.42Å; Y75-E99 HydrophobicContact CE1-CB 3.79Å; Y75-E99 HydrophobicContact CE1-CG 4.06Å; Y75-E99 HydrophobicContact CE2-CB 3.86Å; Y75-E99 HydrophobicContact CE2-CG 4.31Å; Y75-E99 HydrophobicContact CG-CG 4.35Å; Y75-E99 VanDerWaalsContact CZ-CB 3.47Å; N96-E99 WeakPolarHBondContact OD1-CA 3.22Å; N96-E99 VanDerWaalsContact OD1-CB 3.29Å; N96-E99 WeakPolarHBondContact OD1-CB 3.36Å; N96-E99 PolarHBondContact OD1-N 3.41Å |
| 100 | G | 90.3 | Very high | 94.4 | Very high | 9 Ų | 9 | 26.5 Ų | 26.5 | 9% | 0.093 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 70.2 | -158.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y75 R95 N96 | Y75-G100 PolarHBondContact OH-O 3.48Å; R95-G100 VanDerWaalsContact CA-O 3.26Å; R95-G100 WeakPolarHBondContact CA-O 3.23Å; N96-G100 PolarHBondContact N-O 3.05Å; N96-G100 WeakPolarHBondContact O-CA 3.3Å; N96-G100 PolarHBondContact O-N 2.97Å; N96-G100 PolarHBondContact OD1-N 3.41Å |
| 101 | A | 94.6 | Very high | 94.3 | Very high | 13 Ų | 13 | 31.6 Ų | 31.6 | 11% | 0.107 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 150 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | G94 R95 A127 Q148 | G94-A101 CarbonylContact O-C 3.55Å; G94-A101 VanDerWaalsContact O-CA 3.31Å; G94-A101 WeakPolarHBondContact O-CA 3.28Å; R95-A101 HydrophobicContact CB-CB 4.16Å; A101-A127 HydrophobicContact CB-CB 3.99Å; A101-A127 WeakPolarHBondContact O-CB 3.42Å; A101-Q148 HydrophobicContact CB-CB 3.92Å |
| 102 | C | 95.1 | Very high | 94.1 | Very high | 9 Ų | 9 | 35.1 Ų | 35.1 | 6% | 0.061 | 19% | 0.193 | C | C | . | . | trans | -112.6 | 150.8 | -175.4 | -167.3 | 0 | 0 | 0 | 0 | 112.4 | G93 G94 V104 A127 R128 | G93-C102 VanDerWaalsContact CA-O 3.31Å; G93-C102 WeakPolarHBondContact CA-O 3.48Å; G94-C102 PolarHBondContact O-N 2.76Å; C102-V104 PolarHBondContact SG-N 2.83Å; C102-V104 VanDerWaalsContact SG-N 3.37Å; C102-A127 WeakPolarHBondContact O-CA 3.38Å; C102-R128 PolarHBondContact O-N 2.85Å | ||
| 103 | N | 95.9 | Very high | 93.9 | Very high | 75 Ų | 75 | 38 Ų | 38 | 40% | 0.401 | 21% | 0.206 | S | C | . | . | trans | -131.7 | 23.8 | 169.4 | 65 | -17.6 | 0 | 0 | 0 | 111.9 | W92 P125 A127 | W92-N103 VanDerWaalsContact CH2-C 3.49Å; W92-N103 HydrophobicContact CH2-CB 4.05Å; W92-N103 WeakPolarHBondContact CH2-O 3.35Å; W92-N103 HydrophobicContact CZ2-CB 4.03Å; W92-N103 WeakPolarHBondContact CZ3-O 3.38Å; N103-P125 WeakPolarHBondContact CB-O 3.43Å; N103-A127 HydrophobicContact CB-CB 4.11Å | ||
| 104 | V | 95.9 | Very high | 93.8 | Very high | 52 Ų | 52 | 44.6 Ų | 44.6 | 32% | 0.315 | 24% | 0.235 | S | C | . | . | trans | -93.7 | 128.9 | 174.9 | 179.6 | 0 | 0 | 0 | 0 | 108.5 | C102 Y106 T117 | C102-V104 PolarHBondContact SG-N 2.83Å; C102-V104 VanDerWaalsContact SG-N 3.37Å; V104-Y106 HydrophobicContact CB-CD2 4.29Å; V104-Y106 HydrophobicContact CB-CE2 3.7Å; V104-Y106 HydrophobicContact CG1-CD2 4.11Å; V104-Y106 HydrophobicContact CG1-CE1 4.23Å; V104-Y106 HydrophobicContact CG1-CE2 3.67Å; V104-Y106 WeakPolarHBondContact O-CD2 3.48Å; V104-Y106 PolarHBondContact O-N 2.97Å; V104-T117 HydrophobicContact CG1-CG2 3.69Å | ||
| 105 | L | 97.8 | Very high | 93.7 | Very high | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | trans | -78.4 | 119.8 | 171.6 | -177.8 | 68.5 | 0 | 0 | 0 | 109.3 | L90 W92 T117 P118 V120 L160 M165 | L90-L105 HydrophobicContact CB-CD1 4.18Å; L90-L105 HydrophobicContact CD2-CD1 4.49Å; W92-L105 HydrophobicContact CE3-CB 3.94Å; W92-L105 HydrophobicContact CE3-CD1 4.08Å; W92-L105 HydrophobicContact CZ3-CB 3.94Å; L105-T117 WeakPolarHBondContact O-CG2 3.35Å; L105-P118 HydrophobicContact CD2-CB 4.22Å; L105-P118 HydrophobicContact CD2-CG 4.14Å; L105-V120 HydrophobicContact CB-CG1 3.95Å; L105-V120 HydrophobicContact CD2-CG1 3.45Å; L105-V120 VanDerWaalsContact CD2-CG1 3.45Å; L105-V120 HydrophobicContact CG-CG1 4.35Å; L105-L160 HydrophobicContact CD1-CD2 4.23Å; L105-L160 HydrophobicContact CD2-CD2 3.57Å; L105-M165 HydrophobicContact CD2-SD 4.2Å | ||
| 106 | Y | 97.9 | Very high | 93.7 | Very high | 9 Ų | 9 | 47.1 Ų | 47.1 | 4% | 0.035 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 148.1 | 170.8 | -68 | -85.7 | 0 | 0 | 0 | 110.4 | P71 P74 L90 L91 V104 | P71-Y106 WeakPolarHBondContact O-CE1 3.46Å; P74-Y106 HydrophobicContact CB-CD1 4.34Å; P74-Y106 HydrophobicContact CB-CD2 3.99Å; P74-Y106 HydrophobicContact CB-CE1 4.37Å; P74-Y106 HydrophobicContact CB-CE2 4.01Å; P74-Y106 HydrophobicContact CB-CG 4.16Å; P74-Y106 HydrophobicContact CG-CD1 3.7Å; P74-Y106 HydrophobicContact CG-CD2 3.83Å; P74-Y106 HydrophobicContact CG-CE1 4.17Å; P74-Y106 HydrophobicContact CG-CE2 4.28Å; P74-Y106 HydrophobicContact CG-CG 3.51Å; L90-Y106 CarbonylContact C-O 3.6Å; L90-Y106 WeakPolarHBondContact CA-O 3.23Å; L91-Y106 HydrophobicContact CD2-CD2 4.31Å; L91-Y106 PolarHBondContact N-O 3.39Å; L91-Y106 PolarHBondContact O-N 3.44Å; V104-Y106 HydrophobicContact CB-CD2 4.29Å; V104-Y106 HydrophobicContact CB-CE2 3.7Å; V104-Y106 HydrophobicContact CG1-CD2 4.11Å; V104-Y106 HydrophobicContact CG1-CE1 4.23Å; V104-Y106 HydrophobicContact CG1-CE2 3.67Å; V104-Y106 WeakPolarHBondContact O-CD2 3.48Å; V104-Y106 PolarHBondContact O-N 2.97Å |
| 107 | A | 97.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 138.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | T88 V89 L90 W115 F116 P118 | T88-A107 HydrophobicContact CG2-CB 3.71Å; V89-A107 CarbonylContact O-C 3.48Å; V89-A107 VanDerWaalsContact O-CA 3.3Å; V89-A107 WeakPolarHBondContact O-CA 3.48Å; L90-A107 HydrophobicContact CD2-CB 3.93Å; A107-W115 CarbonylContact O-C 3.57Å; A107-W115 WeakPolarHBondContact O-CA 3.1Å; A107-F116 HydrophobicContact CB-CD1 4.01Å; A107-F116 HydrophobicContact CB-CD2 3.85Å; A107-F116 HydrophobicContact CB-CE1 3.62Å; A107-F116 HydrophobicContact CB-CE2 3.46Å; A107-F116 VanDerWaalsContact CB-CE2 3.46Å; A107-F116 HydrophobicContact CB-CG 4.11Å; A107-F116 HydrophobicContact CB-CZ 3.34Å; A107-F116 PolarHBondContact N-O 3.05Å; A107-F116 PolarHBondContact O-N 3.18Å; A107-P118 HydrophobicContact CB-CG 3.72Å |
| 108 | F | 98.1 | Very high | 94.5 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.009 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 116.6 | 177.5 | -179 | -96.4 | 0 | 0 | 0 | 109.6 | Y27 F29 V46 L59 V89 V110 H113 W115 | Y27-F108 HydrophobicContact CD1-CE1 4.01Å; Y27-F108 HydrophobicContact CE1-CE1 4.01Å; F29-F108 HydrophobicContact CE1-CB 4.18Å; F29-F108 AromaticContact CE1-CD1 3.91Å; F29-F108 HydrophobicContact CE1-CD1 3.91Å; F29-F108 HydrophobicContact CE1-CD2 4.45Å; F29-F108 HydrophobicContact CE1-CE1 4.41Å; F29-F108 AromaticContact CE1-CG 3.92Å; F29-F108 HydrophobicContact CE1-CG 3.92Å; F29-F108 AromaticContact CZ-CD1 3.89Å; F29-F108 HydrophobicContact CZ-CD1 3.89Å; F29-F108 HydrophobicContact CZ-CE1 4.4Å; F29-F108 HydrophobicContact CZ-CG 4.3Å; V46-F108 HydrophobicContact CG1-CE1 4.46Å; V46-F108 HydrophobicContact CG1-CZ 4.23Å; V46-F108 HydrophobicContact CG2-CE2 4.35Å; L59-F108 HydrophobicContact CD1-CE2 4.4Å; L59-F108 HydrophobicContact CD1-CZ 3.71Å; V89-F108 HydrophobicContact CB-CB 4.28Å; V89-F108 PolarHBondContact N-O 3.19Å; V89-F108 PolarHBondContact O-N 3.5Å; F108-V110 HydrophobicContact CD1-CG1 4.39Å; F108-H113 HydrophobicContact CE2-CB 4.3Å; F108-H113 VanDerWaalsContact CZ-CA 3.49Å; F108-H113 HydrophobicContact CZ-CB 3.79Å; F108-H113 AromaticContact CZ-CD2 3.93Å; F108-W115 HydrophobicContact CB-CD2 4.1Å; F108-W115 HydrophobicContact CB-CE3 3.85Å; F108-W115 HydrophobicContact CB-CH2 4.02Å; F108-W115 HydrophobicContact CB-CZ2 4.27Å; F108-W115 HydrophobicContact CB-CZ3 3.81Å; F108-W115 AromaticContact CD2-CD1 3.8Å; F108-W115 AromaticContact CD2-CD2 3.72Å; F108-W115 HydrophobicContact CD2-CD2 3.72Å; F108-W115 AromaticContact CD2-CE2 3.49Å; F108-W115 VanDerWaalsContact CD2-CE2 3.49Å; F108-W115 HydrophobicContact CD2-CE3 4.36Å; F108-W115 AromaticContact CD2-CG 3.94Å; F108-W115 HydrophobicContact CD2-CG 3.94Å; F108-W115 AromaticContact CD2-CZ2 3.96Å; F108-W115 HydrophobicContact CD2-CZ2 3.96Å; F108-W115 AromaticContact CD2-NE1 3.54Å; F108-W115 AromaticContact CE2-NE1 3.84Å; F108-W115 HydrophobicContact CG-CD2 4.39Å; F108-W115 HydrophobicContact CG-CZ2 4.35Å |
| 109 | D | 97.3 | Very high | 95 | Very high | 39 Ų | 39 | 53 Ų | 53 | 21% | 0.209 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 119.9 | 177.2 | 178.7 | -61.4 | 0 | 0 | 0 | 109.7 | N111 T112 H113 K114 F116 | D109-N111 VanDerWaalsContact C-N 3.29Å; D109-N111 PolarHBondContact O-N 3.45Å; D109-N111 WeakPolarHBondContact OD1-CA 3.19Å; D109-N111 WeakPolarHBondContact OD1-CB 3.26Å; D109-N111 PolarHBondContact OD1-N 3.4Å; D109-T112 WeakPolarHBondContact CB-OG1 3.4Å; D109-T112 PolarHBondContact OD1-N 2.79Å; D109-T112 PolarHBondContact OD1-OG1 2.92Å; D109-H113 WeakPolarHBondContact O-CA 3.39Å; D109-H113 PolarHBondContact O-N 3.18Å; D109-K114 PolarHBondContact N-O 3.4Å; D109-F116 HydrophobicContact CB-CE1 4.22Å |
| 110 | V | 96.9 | Very high | 95.7 | Very high | 7 Ų | 7 | 50.5 Ų | 50.5 | 4% | 0.042 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -14.9 | -173.1 | -55.2 | 0 | 0 | 0 | 0 | 113.6 | V22 Y27 L84 D87 V89 F108 H113 | V22-V110 HydrophobicContact CG1-CG2 4.01Å; V22-V110 HydrophobicContact CG2-CG1 4.07Å; Y27-V110 HydrophobicContact CE2-CB 4.5Å; Y27-V110 PolarHBondContact OH-O 2.84Å; L84-V110 HydrophobicContact CD1-CG1 4.41Å; D87-V110 HydrophobicContact CB-CG2 4Å; D87-V110 VanDerWaalsContact O-CG2 3.26Å; D87-V110 WeakPolarHBondContact O-CG2 3.43Å; D87-V110 PolarHBondContact O-N 3.01Å; D87-V110 VanDerWaalsContact O-N 3.09Å; V89-V110 HydrophobicContact CG2-CG1 3.65Å; F108-V110 HydrophobicContact CD1-CG1 4.39Å; V110-H113 PolarHBondContact O-CD2 2.86Å; V110-H113 PolarHBondContact O-NE2 3.17Å; V110-H113 VanDerWaalsContact O-NE2 3.09Å |
| 111 | N | 96 | Very high | 96.1 | Very high | 111 Ų | 111 | 52.8 Ų | 52.8 | 59% | 0.594 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -38.5 | -180 | -67.4 | -41.9 | 0 | 0 | 0 | 111.1 | D87 D109 | D87-N111 WeakPolarHBondContact CB-ND2 3.26Å; D87-N111 PolarHBondContact OD2-ND2 2.73Å; D109-N111 VanDerWaalsContact C-N 3.29Å; D109-N111 PolarHBondContact O-N 3.45Å; D109-N111 WeakPolarHBondContact OD1-CA 3.19Å; D109-N111 WeakPolarHBondContact OD1-CB 3.26Å; D109-N111 PolarHBondContact OD1-N 3.4Å |
| 112 | T | 95 | Very high | 96.3 | Very high | 75 Ų | 75 | 54.8 Ų | 54.8 | 46% | 0.46 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | -13.1 | -177.3 | 64.6 | 0 | 0 | 0 | 0 | 113.6 | D109 K114 | D109-T112 WeakPolarHBondContact CB-OG1 3.4Å; D109-T112 PolarHBondContact OD1-N 2.79Å; D109-T112 PolarHBondContact OD1-OG1 2.92Å; T112-K114 PolarHBondContact O-N 2.87Å |
| 113 | H | 95.2 | Very high | 96.4 | Very high | 60 Ų | 60 | 57.7 Ų | 57.7 | 28% | 0.278 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 36.5 | -173.9 | -63.2 | 169.1 | 0 | 0 | 0 | 113.3 | Y27 L59 F108 D109 V110 | Y27-H113 AromaticContact CE1-NE2 3.73Å; Y27-H113 AromaticContact CZ-NE2 3.89Å; Y27-H113 PolarHBondContact OH-NE2 2.82Å; Y27-H113 VanDerWaalsContact OH-NE2 3.13Å; L59-H113 HydrophobicContact CD1-CB 3.99Å; F108-H113 HydrophobicContact CE2-CB 4.3Å; F108-H113 VanDerWaalsContact CZ-CA 3.49Å; F108-H113 HydrophobicContact CZ-CB 3.79Å; F108-H113 AromaticContact CZ-CD2 3.93Å; D109-H113 WeakPolarHBondContact O-CA 3.39Å; D109-H113 PolarHBondContact O-N 3.18Å; V110-H113 PolarHBondContact O-CD2 2.86Å; V110-H113 PolarHBondContact O-NE2 3.17Å; V110-H113 VanDerWaalsContact O-NE2 3.09Å |
| 114 | K | 93.8 | Very high | 96.5 | Very high | 139 Ų | 139 | 57 Ų | 57 | 60% | 0.604 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 139.4 | 179.7 | -68.3 | -179.5 | -178.2 | 177.6 | 0 | 111.1 | D109 T112 | D109-K114 PolarHBondContact N-O 3.4Å; T112-K114 PolarHBondContact O-N 2.87Å |
| 115 | W | 95.6 | Very high | 96.6 | Very high | 19 Ų | 19 | 54.6 Ų | 54.6 | 7% | 0.072 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 150.2 | 168.9 | -69.7 | 95 | 0 | 0 | 0 | 111.2 | F29 I44 V46 V72 V73 P74 L91 A107 F108 | F29-W115 AromaticContact CD1-CH2 3.6Å; F29-W115 HydrophobicContact CD1-CH2 3.6Å; F29-W115 AromaticContact CD1-CZ2 3.62Å; F29-W115 HydrophobicContact CD1-CZ2 3.62Å; F29-W115 AromaticContact CE1-CH2 3.82Å; F29-W115 HydrophobicContact CE1-CH2 3.82Å; F29-W115 AromaticContact CE1-CZ2 3.78Å; F29-W115 HydrophobicContact CE1-CZ2 3.78Å; I44-W115 HydrophobicContact CG2-CH2 4.11Å; I44-W115 HydrophobicContact CG2-CZ2 3.59Å; V46-W115 HydrophobicContact CG2-CZ2 3.84Å; V72-W115 HydrophobicContact CG1-CB 4.3Å; V72-W115 WeakPolarHBondContact CG1-O 3.44Å; V72-W115 VanDerWaalsContact O-CB 3.22Å; V72-W115 WeakPolarHBondContact O-CB 3.36Å; V73-W115 HydrophobicContact CB-CG 4.45Å; V73-W115 HydrophobicContact CG1-CG 4.26Å; V73-W115 HydrophobicContact CG2-CB 4.13Å; V73-W115 HydrophobicContact CG2-CG 4.15Å; P74-W115 HydrophobicContact CG-CD2 4.33Å; P74-W115 HydrophobicContact CG-CE3 3.84Å; P74-W115 HydrophobicContact CG-CH2 3.81Å; P74-W115 HydrophobicContact CG-CZ2 4.28Å; P74-W115 HydrophobicContact CG-CZ3 3.56Å; L91-W115 HydrophobicContact CB-CZ3 4.42Å; L91-W115 HydrophobicContact CD1-CH2 4.01Å; L91-W115 HydrophobicContact CD1-CZ3 4.43Å; A107-W115 CarbonylContact O-C 3.57Å; A107-W115 WeakPolarHBondContact O-CA 3.1Å; F108-W115 HydrophobicContact CB-CD2 4.1Å; F108-W115 HydrophobicContact CB-CE3 3.85Å; F108-W115 HydrophobicContact CB-CH2 4.02Å; F108-W115 HydrophobicContact CB-CZ2 4.27Å; F108-W115 HydrophobicContact CB-CZ3 3.81Å; F108-W115 AromaticContact CD2-CD1 3.8Å; F108-W115 AromaticContact CD2-CD2 3.72Å; F108-W115 HydrophobicContact CD2-CD2 3.72Å; F108-W115 AromaticContact CD2-CE2 3.49Å; F108-W115 VanDerWaalsContact CD2-CE2 3.49Å; F108-W115 HydrophobicContact CD2-CE3 4.36Å; F108-W115 AromaticContact CD2-CG 3.94Å; F108-W115 HydrophobicContact CD2-CG 3.94Å; F108-W115 AromaticContact CD2-CZ2 3.96Å; F108-W115 HydrophobicContact CD2-CZ2 3.96Å; F108-W115 AromaticContact CD2-NE1 3.54Å; F108-W115 AromaticContact CE2-NE1 3.84Å; F108-W115 HydrophobicContact CG-CD2 4.39Å; F108-W115 HydrophobicContact CG-CZ2 4.35Å |
| 116 | F | 93.9 | Very high | 96.5 | Very high | 81 Ų | 81 | 55.2 Ų | 55.2 | 36% | 0.355 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 164.9 | 166.8 | 60.9 | -79.2 | 0 | 0 | 0 | 110.4 | T88 A107 D109 P118 | T88-F116 HydrophobicContact CG2-CE1 4.27Å; T88-F116 HydrophobicContact CG2-CZ 3.88Å; A107-F116 HydrophobicContact CB-CD1 4.01Å; A107-F116 HydrophobicContact CB-CD2 3.85Å; A107-F116 HydrophobicContact CB-CE1 3.62Å; A107-F116 HydrophobicContact CB-CE2 3.46Å; A107-F116 VanDerWaalsContact CB-CE2 3.46Å; A107-F116 HydrophobicContact CB-CG 4.11Å; A107-F116 HydrophobicContact CB-CZ 3.34Å; A107-F116 PolarHBondContact N-O 3.05Å; A107-F116 PolarHBondContact O-N 3.18Å; D109-F116 HydrophobicContact CB-CE1 4.22Å; F116-P118 HydrophobicContact CD2-CG 4Å; F116-P118 HydrophobicContact CE2-CG 3.82Å |
| 117 | T | 95.1 | Very high | 96.5 | Very high | 54 Ų | 54 | 55.8 Ų | 55.8 | 33% | 0.331 | 30% | 0.303 | S | S | . | . | trans | -118.4 | 98.2 | -179.3 | -52.8 | 0 | 0 | 0 | 0 | 108.5 | V104 L105 | V104-T117 HydrophobicContact CG1-CG2 3.69Å; L105-T117 WeakPolarHBondContact O-CG2 3.35Å | ||
| 118 | P | 94.9 | Very high | 96.5 | Very high | 18 Ų | 18 | 55.8 Ų | 55.8 | 12% | 0.117 | 30% | 0.303 | C | S | . | . | trans | -59.4 | 139.8 | 175 | -19.2 | 30.4 | 0 | 0 | 0 | 110.5 | L105 A107 F116 V120 M165 | L105-P118 HydrophobicContact CD2-CB 4.22Å; L105-P118 HydrophobicContact CD2-CG 4.14Å; A107-P118 HydrophobicContact CB-CG 3.72Å; F116-P118 HydrophobicContact CD2-CG 4Å; F116-P118 HydrophobicContact CE2-CG 3.82Å; P118-V120 PolarHBondContact O-N 3.4Å; P118-M165 HydrophobicContact CB-CE 4.12Å; P118-M165 HydrophobicContact CB-CG 4.31Å; P118-M165 HydrophobicContact CB-SD 3.92Å; P118-M165 HydrophobicContact CG-CE 4.29Å; P118-M165 HydrophobicContact CG-SD 4.49Å | ||
| 119 | R | 95.1 | Very high | 96.5 | Very high | 240 Ų | 240 | 55.7 Ų | 55.7 | 91% | 0.906 | 30% | 0.303 | S | S | * | . | trans | -74.9 | 120.7 | 169 | -68.4 | -174.2 | -179.5 | -138.7 | 0.5 | 108.2 | M165 | R119-M165 WeakPolarHBondContact O-CB 3.17Š| ||
| 120 | V | 97.6 | Very high | 96.6 | Very high | 45 Ų | 45 | 54.1 Ų | 54.1 | 27% | 0.273 | 30% | 0.295 | S | S | . | . | trans | -105.3 | 154.4 | 177.1 | -62.2 | 0 | 0 | 0 | 0 | 111.2 | L105 P118 V124 L160 M165 | L105-V120 HydrophobicContact CB-CG1 3.95Å; L105-V120 HydrophobicContact CD2-CG1 3.45Å; L105-V120 VanDerWaalsContact CD2-CG1 3.45Å; L105-V120 HydrophobicContact CG-CG1 4.35Å; P118-V120 PolarHBondContact O-N 3.4Å; V120-V124 HydrophobicContact CG2-CG1 4.47Å; V120-V124 HydrophobicContact CG2-CG2 4.08Å; V120-L160 HydrophobicContact CG1-CD1 4.46Å; V120-M165 VanDerWaalsContact CA-O 3.26Å; V120-M165 WeakPolarHBondContact CA-O 3.43Å; V120-M165 HydrophobicContact CG1-CB 4.5Å | ||
| 121 | S | 98.4 | Very high | 96.7 | Very high | 58 Ų | 58 | 54.3 Ų | 54.3 | 41% | 0.406 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 177.8 | 179.5 | 59.3 | 0 | 0 | 0 | 0 | 111.1 | M165 T166 W167 | S121-M165 PolarHBondContact N-O 2.97Å; S121-T166 PolarHBondContact OG-OG1 2.67Å; S121-W167 PolarHBondContact O-N 3.22Å |
| 122 | G | 98.3 | Very high | 96.8 | Very high | 55 Ų | 55 | 49.5 Ų | 49.5 | 57% | 0.567 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 84.5 | -150.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V124 W167 | G122-V124 PolarHBondContact O-N 3.3Å; G122-V124 VanDerWaalsContact O-N 3.08Å; G122-W167 WeakPolarHBondContact CA-O 3.27Å |
| 123 | T | 98.1 | Very high | 97 | Very high | 70 Ų | 70 | 46.9 Ų | 46.9 | 43% | 0.429 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -84.9 | 80.3 | -179.1 | 54.5 | 0 | 0 | 0 | 0 | 109.5 | H158 W167 T168 L169 | T123-H158 PolarHBondContact O-CD2 2.88Å; T123-W167 PolarHBondContact N-O 2.75Å; T123-W167 VanDerWaalsContact O-CB 3.3Å; T123-W167 WeakPolarHBondContact O-CB 3.4Å; T123-W167 PolarHBondContact OG1-O 2.96Å; T123-T168 VanDerWaalsContact OG1-C 3.3Å; T123-T168 VanDerWaalsContact OG1-CA 3.26Å; T123-T168 WeakPolarHBondContact OG1-CA 3.49Å; T123-L169 PolarHBondContact OG1-N 2.88Å |
| 124 | V | 98 | Very high | 97.1 | Very high | 60 Ų | 60 | 44.5 Ų | 44.5 | 36% | 0.364 | 25% | 0.247 | S | C | . | . | P | Polyproline II helix | trans | -65.6 | 126.6 | -178.5 | -175.9 | 0 | 0 | 0 | 0 | 109.5 | W92 V120 G122 | W92-V124 HydrophobicContact CH2-CG1 3.62Å; W92-V124 HydrophobicContact CZ2-CG1 4.43Å; V120-V124 HydrophobicContact CG2-CG1 4.47Å; V120-V124 HydrophobicContact CG2-CG2 4.08Å; G122-V124 PolarHBondContact O-N 3.3Å; G122-V124 VanDerWaalsContact O-N 3.08Å |
| 125 | P | 97.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -61.7 | 146 | 179.5 | -9.8 | 16.6 | 0 | 0 | 0 | 111.9 | W92 N103 I142 H158 W167 | W92-P125 HydrophobicContact CH2-CG 4.29Å; W92-P125 HydrophobicContact CZ2-CB 3.73Å; W92-P125 HydrophobicContact CZ2-CG 3.6Å; W92-P125 WeakPolarHBondContact CZ2-O 3.35Å; N103-P125 WeakPolarHBondContact CB-O 3.43Å; P125-I142 HydrophobicContact CB-CD1 3.69Å; P125-I142 HydrophobicContact CG-CD1 3.42Å; P125-I142 VanDerWaalsContact CG-CD1 3.42Å; P125-I142 HydrophobicContact CG-CG1 4.44Å; P125-H158 HydrophobicContact CB-CB 4.5Å; P125-H158 HydrophobicContact CG-CB 3.76Å; P125-W167 HydrophobicContact CG-CD2 4Å; P125-W167 HydrophobicContact CG-CE3 3.83Å; P125-W167 HydrophobicContact CG-CH2 4.41Å; P125-W167 HydrophobicContact CG-CZ3 4.05Å |
| 126 | G | 96.6 | Very high | 97.5 | Very high | 17 Ų | 17 | 41.9 Ų | 41.9 | 18% | 0.175 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -64.4 | 161 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | R128 E147 | G126-R128 PolarHBondContact O-N 3.3Å; G126-R128 PolarHBondContact O-NE 2.97Å; G126-E147 WeakPolarHBondContact CA-OE1 3.38Å |
| 127 | A | 97.6 | Very high | 97.6 | Very high | 20 Ų | 20 | 41 Ų | 41 | 17% | 0.165 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -63.1 | 125.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A101 C102 N103 E147 Q148 | A101-A127 HydrophobicContact CB-CB 3.99Å; A101-A127 WeakPolarHBondContact O-CB 3.42Å; C102-A127 WeakPolarHBondContact O-CA 3.38Å; N103-A127 HydrophobicContact CB-CB 4.11Å; A127-E147 WeakPolarHBondContact O-CA 3.35Å; A127-Q148 PolarHBondContact O-N 2.87Å; A127-Q148 VanDerWaalsContact O-N 3.14Å |
| 128 | R | 98.1 | Very high | 97.8 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 0% | 0.004 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 162.7 | -168.3 | 65.9 | -175 | 69.5 | -165.9 | -3.9 | 114.1 | G93 G94 C102 G126 H131 G144 Y146 D156 | G93-R128 CarbonylContact C-O 3.59Å; G93-R128 WeakPolarHBondContact CA-O 3.49Å; G94-R128 PolarHBondContact N-O 3.01Å; C102-R128 PolarHBondContact O-N 2.85Å; G126-R128 PolarHBondContact O-N 3.3Å; G126-R128 PolarHBondContact O-NE 2.97Å; R128-H131 HydrophobicContact CG-CB 4.5Å; R128-G144 PolarHBondContact NH1-O 3.11Å; R128-Y146 WeakPolarHBondContact CA-O 3.3Å; R128-Y146 VanDerWaalsContact CB-O 3.3Å; R128-Y146 WeakPolarHBondContact CB-O 3.43Å; R128-D156 IonicContact CZ-OD1 2.64Å; R128-D156 IonicContact CZ-OD2 3.51Å; R128-D156 VanDerWaalsContact NH1-CG 3.34Å; R128-D156 IonicContact NH1-OD1 3.51Å; R128-D156 PolarHBondContact NH1-OD1 2.92Å; R128-D156 IonicContact NH1-OD2 3.86Å; R128-D156 PolarHBondContact NH1-OD2 2.83Å; R128-D156 VanDerWaalsContact NH1-OD2 3.12Å; R128-D156 IonicContact NH2-OD1 3.12Å; R128-D156 IonicContact NH2-OD2 3.22Å; R128-D156 PolarHBondContact NH2-OD2 2.96Å |
| 129 | D | 98.1 | Very high | 98 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 170 | 171.9 | 74.8 | -61.4 | 0 | 0 | 0 | 110.7 | G79 R95 H131 G145 Y146 | G79-D129 CarbonylContact O-C 3.44Å; G79-D129 WeakPolarHBondContact O-CA 3.44Å; G79-D129 WeakPolarHBondContact O-CB 3.46Å; R95-D129 HydrophobicContact CG-CB 4.3Å; R95-D129 IonicContact CZ-OD1 2.86Å; R95-D129 IonicContact CZ-OD2 3.45Å; R95-D129 IonicContact NE-OD1 3.15Å; R95-D129 PolarHBondContact NE-OD1 2.79Å; R95-D129 VanDerWaalsContact NE-OD1 3.15Å; R95-D129 IonicContact NE-OD2 3.91Å; R95-D129 VanDerWaalsContact NH1-CG 3.32Å; R95-D129 IonicContact NH1-OD1 3.55Å; R95-D129 IonicContact NH1-OD2 3.02Å; R95-D129 PolarHBondContact NH1-OD2 3.25Å; R95-D129 IonicContact NH2-OD1 2.54Å; R95-D129 PolarHBondContact NH2-OD1 2.96Å; R95-D129 IonicContact NH2-OD2 2.96Å; R95-D129 PolarHBondContact NH2-OD2 3.01Å; R95-D129 VanDerWaalsContact NH2-OD2 3.12Å; D129-H131 PolarHBondContact O-N 2.75Å; D129-G145 CarbonylContact O-C 3.53Å; D129-G145 VanDerWaalsContact O-CA 3.28Å; D129-G145 WeakPolarHBondContact O-CA 3.35Å; D129-Y146 PolarHBondContact N-O 2.88Å; D129-Y146 PolarHBondContact O-N 3.33Å |
| 130 | G | 98.1 | Very high | 98.1 | Very high | 5 Ų | 5 | 32.7 Ų | 32.7 | 5% | 0.052 | 22% | 0.221 | C | C | . | . | S | Bend | trans | 63.8 | 10.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | G79 D181 F182 | G79-G130 PolarHBondContact O-N 2.86Å; G130-D181 CarbonylContact O-C 3.57Å; G130-D181 WeakPolarHBondContact O-CA 3.43Å; G130-F182 PolarHBondContact O-N 3Å |
| 131 | H | 98.8 | Very high | 98.2 | Very high | 11 Ų | 11 | 31.2 Ų | 31.2 | 5% | 0.051 | 21% | 0.211 | C | C | . | . | trans | -73.7 | 164 | 168.1 | 66.1 | -79.1 | 0 | 0 | 0 | 109.3 | S81 W92 R128 D129 G144 | S81-H131 WeakPolarHBondContact CB-NE2 3.24Å; S81-H131 PolarHBondContact OG-CD2 3.41Å; S81-H131 PolarHBondContact OG-NE2 3.31Å; W92-H131 AromaticContact CD1-CE1 3.83Å; W92-H131 AromaticContact CD1-NE2 3.49Å; W92-H131 PolarHBondContact O-CE1 3.43Å; W92-H131 VanDerWaalsContact O-CE1 3.23Å; W92-H131 PolarHBondContact O-NE2 3.1Å; R128-H131 HydrophobicContact CG-CB 4.5Å; D129-H131 PolarHBondContact O-N 2.75Å; H131-G144 VanDerWaalsContact CB-O 3.24Å; H131-G144 WeakPolarHBondContact CB-O 3.4Å | ||
| 132 | S | 98.7 | Very high | 98.2 | Very high | 10 Ų | 10 | 28.4 Ų | 28.4 | 7% | 0.07 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 155.7 | 170.1 | 62.1 | 0 | 0 | 0 | 0 | 110.5 | I142 F143 H183 A185 | S132-I142 VanDerWaalsContact O-CA 3.26Å; S132-I142 WeakPolarHBondContact O-CA 3.43Å; S132-F143 PolarHBondContact N-O 3.37Å; S132-F143 VanDerWaalsContact N-O 3.14Å; S132-F143 PolarHBondContact O-N 3.02Å; S132-H183 WeakPolarHBondContact CB-NE2 3.48Å; S132-H183 PolarHBondContact OG-CD2 3.28Å; S132-H183 PolarHBondContact OG-NE2 3.1Å; S132-A185 WeakPolarHBondContact OG-CB 3.33Å |
| 133 | A | 98.7 | Very high | 98.2 | Very high | 21 Ų | 21 | 25.8 Ų | 25.8 | 17% | 0.174 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 146.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | S81 V83 M140 Y141 I142 | S81-A133 VanDerWaalsContact OG-CB 3.27Å; S81-A133 WeakPolarHBondContact OG-CB 3.32Å; V83-A133 HydrophobicContact CG1-CB 3.75Å; A133-M140 HydrophobicContact CB-CE 3.62Å; A133-Y141 CarbonylContact C-O 3.54Å; A133-Y141 WeakPolarHBondContact CA-O 3.3Å; A133-I142 HydrophobicContact CB-CG2 4.04Å |
| 134 | C | 98.4 | Very high | 98.2 | Very high | 10 Ų | 10 | 22.5 Ų | 22.5 | 7% | 0.068 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 168.8 | 173.5 | 61.7 | 0 | 0 | 0 | 0 | 110.5 | Y141 M187 M192 | C134-Y141 PolarHBondContact N-O 2.71Å; C134-Y141 PolarHBondContact O-N 2.92Å; C134-M187 HydrophobicContact CB-CB 4.1Å; C134-M192 VanDerWaalsContact SG-SD 3.69Å |
| 135 | V | 98.3 | Very high | 98.3 | Very high | 40 Ų | 40 | 19.6 Ų | 19.6 | 24% | 0.242 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 141.8 | -171.4 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | V83 I85 G137 I139 M187 | V83-V135 HydrophobicContact CB-CG2 3.47Å; V83-V135 VanDerWaalsContact CB-CG2 3.47Å; V83-V135 HydrophobicContact CG1-CG2 3.81Å; V83-V135 HydrophobicContact CG2-CG2 3.73Å; I85-V135 HydrophobicContact CD1-CG1 4.02Å; I85-V135 HydrophobicContact CD1-CG2 3.98Å; I85-V135 HydrophobicContact CG1-CG1 3.78Å; I85-V135 HydrophobicContact CG1-CG2 3.88Å; V135-G137 WeakPolarHBondContact CG1-O 3.46Å; V135-I139 WeakPolarHBondContact CA-O 3.4Å; V135-M187 WeakPolarHBondContact O-CG 3.34Å |
| 136 | L | 98.1 | Very high | 98.3 | Very high | 63 Ų | 63 | 21.7 Ų | 21.7 | 33% | 0.33 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 108.7 | 163.3 | 179.2 | 63.2 | 0 | 0 | 0 | 108.9 | K138 I139 Y141 M187 G189 T221 | L136-K138 PolarHBondContact O-N 3.2Å; L136-I139 PolarHBondContact N-O 3.38Å; L136-I139 PolarHBondContact O-N 2.86Å; L136-I139 VanDerWaalsContact O-N 3.11Å; L136-Y141 HydrophobicContact CB-CE2 3.99Å; L136-M187 HydrophobicContact CB-CE 4.22Å; L136-M187 HydrophobicContact CB-CG 4.37Å; L136-M187 HydrophobicContact CB-SD 4.46Å; L136-G189 WeakPolarHBondContact CD1-O 3.43Å; L136-T221 HydrophobicContact CD2-CG2 4.36Å; L136-T221 WeakPolarHBondContact CD2-OG1 3.4Å |
| 137 | G | 97.6 | Very high | 98.3 | Very high | 63 Ų | 63 | 23 Ų | 23 | 65% | 0.649 | 14% | 0.136 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | -124.5 | -174 | 0 | 0 | 0 | 0 | 0 | 111.5 | V135 I139 | V135-G137 WeakPolarHBondContact CG1-O 3.46Å; G137-I139 VanDerWaalsContact C-N 3.31Å |
| 138 | K | 98.1 | Very high | 98 | Very high | 101 Ų | 101 | 26.4 Ų | 26.4 | 44% | 0.439 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 10 | 177.7 | -69.2 | -160.4 | 172.5 | -159.5 | 0 | 114.2 | D86 L136 T162 S163 | D86-K138 IonicContact OD2-NZ 3.46Å; L136-K138 PolarHBondContact O-N 3.2Å; K138-T162 WeakPolarHBondContact CB-OG1 3.42Å; K138-T162 WeakPolarHBondContact O-CB 3.35Å; K138-T162 WeakPolarHBondContact O-CG2 3.32Å; K138-T162 PolarHBondContact O-N 3.47Å; K138-T162 PolarHBondContact O-OG1 2.9Å; K138-S163 WeakPolarHBondContact CD-OG 3.34Å |
| 139 | I | 98.7 | Very high | 97.8 | Very high | 35 Ų | 35 | 35 Ų | 35 | 18% | 0.179 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 121.7 | -177.5 | -48.7 | -56.9 | 0 | 0 | 0 | 109.8 | V135 L136 G137 Y141 K159 L160 D161 | V135-I139 WeakPolarHBondContact CA-O 3.4Å; L136-I139 PolarHBondContact N-O 3.38Å; L136-I139 PolarHBondContact O-N 2.86Å; L136-I139 VanDerWaalsContact O-N 3.11Å; G137-I139 VanDerWaalsContact C-N 3.31Å; I139-Y141 HydrophobicContact CB-CE2 3.79Å; I139-Y141 HydrophobicContact CG2-CD2 4.01Å; I139-Y141 HydrophobicContact CG2-CE1 4.33Å; I139-Y141 HydrophobicContact CG2-CE2 3.41Å; I139-Y141 VanDerWaalsContact CG2-CE2 3.41Å; I139-K159 HydrophobicContact CG2-CB 3.71Å; I139-K159 HydrophobicContact CG2-CD 4.31Å; I139-K159 HydrophobicContact CG2-CG 4.37Å; I139-L160 WeakPolarHBondContact CA-O 3.46Å; I139-D161 HydrophobicContact CD1-CB 3.64Å |
| 140 | M | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 130.9 | 167 | 172.8 | -176.3 | -174.5 | 0 | 0 | 108.9 | V83 I85 L90 W92 A133 I142 K159 L160 W167 | V83-M140 HydrophobicContact CG1-CE 4.38Å; V83-M140 HydrophobicContact CG2-CB 4.22Å; V83-M140 HydrophobicContact CG2-CE 4.02Å; V83-M140 HydrophobicContact CG2-CG 3.81Å; V83-M140 HydrophobicContact CG2-SD 3.62Å; I85-M140 HydrophobicContact CD1-CB 4.15Å; L90-M140 HydrophobicContact CB-SD 4.29Å; L90-M140 HydrophobicContact CD1-SD 4.28Å; W92-M140 HydrophobicContact CB-CE 3.89Å; A133-M140 HydrophobicContact CB-CE 3.62Å; M140-I142 HydrophobicContact CE-CG2 3.72Å; M140-K159 CarbonylContact O-C 3.54Å; M140-K159 WeakPolarHBondContact O-CA 3.27Å; M140-L160 HydrophobicContact CB-CB 4.3Å; M140-L160 PolarHBondContact N-O 2.82Å; M140-L160 PolarHBondContact O-N 3.04Å; M140-W167 HydrophobicContact SD-CH2 4.27Å |
| 141 | Y | 98.9 | Very high | 97.4 | Very high | 14 Ų | 14 | 41 Ų | 41 | 6% | 0.055 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 135.4 | 172.5 | -65.3 | -98.8 | 0 | 0 | 0 | 108.9 | A133 C134 L136 I139 I157 H158 K159 I170 M187 T221 | A133-Y141 CarbonylContact C-O 3.54Å; A133-Y141 WeakPolarHBondContact CA-O 3.3Å; C134-Y141 PolarHBondContact N-O 2.71Å; C134-Y141 PolarHBondContact O-N 2.92Å; L136-Y141 HydrophobicContact CB-CE2 3.99Å; I139-Y141 HydrophobicContact CB-CE2 3.79Å; I139-Y141 HydrophobicContact CG2-CD2 4.01Å; I139-Y141 HydrophobicContact CG2-CE1 4.33Å; I139-Y141 HydrophobicContact CG2-CE2 3.41Å; I139-Y141 VanDerWaalsContact CG2-CE2 3.41Å; Y141-I157 HydrophobicContact CD1-CG2 4.18Å; Y141-H158 WeakPolarHBondContact CA-O 3.46Å; Y141-K159 HydrophobicContact CD1-CB 3.9Å; Y141-K159 HydrophobicContact CE1-CB 3.88Å; Y141-K159 HydrophobicContact CE1-CD 4.19Å; Y141-K159 HydrophobicContact CG-CB 4.48Å; Y141-I170 HydrophobicContact CD1-CD1 4.09Å; Y141-I170 HydrophobicContact CE1-CD1 3.88Å; Y141-M187 HydrophobicContact CD2-CE 4Å; Y141-M187 HydrophobicContact CE2-CE 4.3Å; Y141-T221 HydrophobicContact CE1-CG2 3.97Å; Y141-T221 HydrophobicContact CE2-CG2 4.24Å |
| 142 | I | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 145.1 | 166.3 | 67.2 | 171.4 | 0 | 0 | 0 | 109.8 | P125 S132 A133 M140 I157 H158 W167 | P125-I142 HydrophobicContact CB-CD1 3.69Å; P125-I142 HydrophobicContact CG-CD1 3.42Å; P125-I142 VanDerWaalsContact CG-CD1 3.42Å; P125-I142 HydrophobicContact CG-CG1 4.44Å; S132-I142 VanDerWaalsContact O-CA 3.26Å; S132-I142 WeakPolarHBondContact O-CA 3.43Å; A133-I142 HydrophobicContact CB-CG2 4.04Å; M140-I142 HydrophobicContact CE-CG2 3.72Å; I142-I157 WeakPolarHBondContact O-CA 3.5Å; I142-H158 HydrophobicContact CD1-CB 4.09Å; I142-H158 HydrophobicContact CG1-CB 3.72Å; I142-H158 PolarHBondContact N-O 2.93Å; I142-H158 PolarHBondContact O-N 2.93Å; I142-H158 VanDerWaalsContact O-N 3.1Å; I142-W167 HydrophobicContact CD1-CH2 4.26Å; I142-W167 HydrophobicContact CD1-CZ3 4.14Å; I142-W167 HydrophobicContact CG1-CH2 4.46Å; I142-W167 HydrophobicContact CG1-CZ3 4.08Å; I142-W167 HydrophobicContact CG2-CH2 4.09Å; I142-W167 HydrophobicContact CG2-CZ3 4.37Å |
| 143 | F | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 134.9 | 177.8 | 171 | -110.6 | 0 | 0 | 0 | 111.2 | S132 N155 D156 I157 A177 R180 H183 M192 V194 W226 | S132-F143 PolarHBondContact N-O 3.37Å; S132-F143 VanDerWaalsContact N-O 3.14Å; S132-F143 PolarHBondContact O-N 3.02Å; F143-N155 HydrophobicContact CE2-CB 4.18Å; F143-N155 VanDerWaalsContact CE2-O 3.31Å; F143-N155 WeakPolarHBondContact CE2-O 3.36Å; F143-N155 HydrophobicContact CZ-CB 4.49Å; F143-D156 WeakPolarHBondContact CA-O 3.44Å; F143-D156 VanDerWaalsContact CD2-O 3.23Å; F143-D156 WeakPolarHBondContact CD2-O 3.42Å; F143-I157 HydrophobicContact CB-CG1 4.34Å; F143-I157 HydrophobicContact CD2-CD1 4.37Å; F143-I157 HydrophobicContact CD2-CG1 3.57Å; F143-I157 HydrophobicContact CE2-CG1 4.4Å; F143-I157 HydrophobicContact CG-CG1 4.32Å; F143-A177 HydrophobicContact CE1-CB 4.19Å; F143-A177 HydrophobicContact CE2-CB 4.26Å; F143-A177 HydrophobicContact CZ-CB 3.53Å; F143-R180 HydrophobicContact CE1-CG 4.18Å; F143-H183 AromaticContact CD1-CD2 3.79Å; F143-H183 AromaticContact CD1-CE1 3.93Å; F143-H183 AromaticContact CD1-NE2 3.14Å; F143-H183 WeakPolarHBondContact CD1-NE2 3.26Å; F143-H183 AromaticContact CE1-NE2 3.64Å; F143-H183 PolarHBondContact O-CE1 2.66Å; F143-H183 PolarHBondContact O-NE2 3.04Å; F143-M192 HydrophobicContact CB-CE 4.06Å; F143-M192 HydrophobicContact CB-SD 4.31Å; F143-M192 HydrophobicContact CG-CE 4.31Å; F143-V194 HydrophobicContact CD1-CG1 4.09Å; F143-V194 HydrophobicContact CD1-CG2 3.72Å; F143-V194 HydrophobicContact CE1-CB 4.41Å; F143-V194 HydrophobicContact CE1-CG1 3.64Å; F143-V194 HydrophobicContact CE1-CG2 3.98Å; F143-W226 HydrophobicContact CD2-CH2 4.35Å; F143-W226 AromaticContact CD2-CZ2 3.97Å; F143-W226 HydrophobicContact CD2-CZ2 3.97Å; F143-W226 HydrophobicContact CE1-CH2 4.32Å; F143-W226 AromaticContact CE2-CH2 3.97Å; F143-W226 HydrophobicContact CE2-CH2 3.97Å; F143-W226 AromaticContact CE2-CZ2 3.54Å; F143-W226 HydrophobicContact CE2-CZ2 3.54Å; F143-W226 AromaticContact CZ-CH2 4Å; F143-W226 HydrophobicContact CZ-CH2 4Å; F143-W226 AromaticContact CZ-CZ2 3.99Å; F143-W226 HydrophobicContact CZ-CZ2 3.99Å |
| 144 | G | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | 60.9 | -141.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | R128 H131 S154 D156 | R128-G144 PolarHBondContact NH1-O 3.11Å; H131-G144 VanDerWaalsContact CB-O 3.24Å; H131-G144 WeakPolarHBondContact CB-O 3.4Å; G144-S154 WeakPolarHBondContact CA-O 3.46Å; G144-D156 PolarHBondContact N-O 2.88Å; G144-D156 VanDerWaalsContact N-O 3.14Å | ||
| 145 | G | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | 96.4 | 178.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D129 F153 S154 R180 | D129-G145 CarbonylContact O-C 3.53Å; D129-G145 VanDerWaalsContact O-CA 3.28Å; D129-G145 WeakPolarHBondContact O-CA 3.35Å; G145-F153 WeakPolarHBondContact O-CA 3.29Å; G145-S154 PolarHBondContact O-N 2.86Å; G145-R180 PolarHBondContact N-O 2.92Å | ||
| 146 | Y | 97.9 | Very high | 97.2 | Very high | 45 Ų | 45 | 42.1 Ų | 42.1 | 18% | 0.176 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 120.2 | 171.1 | 174.7 | -92.5 | 0 | 0 | 0 | 109 | R128 D129 Q148 D151 C152 F153 | R128-Y146 WeakPolarHBondContact CA-O 3.3Å; R128-Y146 VanDerWaalsContact CB-O 3.3Å; R128-Y146 WeakPolarHBondContact CB-O 3.43Å; D129-Y146 PolarHBondContact N-O 2.88Å; D129-Y146 PolarHBondContact O-N 3.33Å; Y146-Q148 HydrophobicContact CE1-CB 4.47Å; Y146-D151 WeakPolarHBondContact CE2-OD1 3.38Å; Y146-D151 PolarHBondContact OH-OD1 2.81Å; Y146-C152 WeakPolarHBondContact CA-O 3.37Å; Y146-F153 HydrophobicContact CD2-CD1 4.13Å; Y146-F153 HydrophobicContact CD2-CE1 4.11Å |
| 147 | E | 96.9 | Very high | 97.2 | Very high | 43 Ų | 43 | 39.1 Ų | 39.1 | 20% | 0.201 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 114.4 | 177.8 | -178.3 | 173.4 | -131.4 | 0 | 0 | 109.4 | G126 A127 Q149 A150 D151 C152 | G126-E147 WeakPolarHBondContact CA-OE1 3.38Å; A127-E147 WeakPolarHBondContact O-CA 3.35Å; E147-Q149 PolarHBondContact O-N 3.36Å; E147-A150 HydrophobicContact CB-CB 4.48Å; E147-A150 HydrophobicContact CG-CB 4.14Å; E147-A150 WeakPolarHBondContact OE2-CB 3.31Å; E147-D151 PolarHBondContact O-N 3.25Å; E147-C152 PolarHBondContact N-O 3.29Å; E147-C152 PolarHBondContact O-N 3.43Å |
| 148 | Q | 92.1 | Very high | 97.3 | Very high | 92 Ų | 92 | 36.7 Ų | 36.7 | 43% | 0.43 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -41.9 | -170.2 | 177.4 | 176.4 | -21.1 | 0 | 0 | 112.7 | A101 A127 Y146 A150 D151 | A101-Q148 HydrophobicContact CB-CB 3.92Å; A127-Q148 PolarHBondContact O-N 2.87Å; A127-Q148 VanDerWaalsContact O-N 3.14Å; Y146-Q148 HydrophobicContact CE1-CB 4.47Å; Q148-A150 VanDerWaalsContact C-N 3.33Å; Q148-A150 PolarHBondContact O-N 2.67Å; Q148-D151 PolarHBondContact O-N 2.97Å |
| 149 | Q | 92.8 | Very high | 97.3 | Very high | 182 Ų | 182 | 34.2 Ų | 34.2 | 85% | 0.85 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -34.5 | -175.1 | -173.2 | 174.9 | 4.1 | 0 | 0 | 112.3 | E147 D151 | E147-Q149 PolarHBondContact O-N 3.36Å; Q149-D151 VanDerWaalsContact C-N 3.35Å |
| 150 | A | 94.1 | Very high | 97.3 | Very high | 43 Ų | 43 | 32.6 Ų | 32.6 | 36% | 0.355 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -5.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | E147 Q148 C152 | E147-A150 HydrophobicContact CB-CB 4.48Å; E147-A150 HydrophobicContact CG-CB 4.14Å; E147-A150 WeakPolarHBondContact OE2-CB 3.31Å; Q148-A150 VanDerWaalsContact C-N 3.33Å; Q148-A150 PolarHBondContact O-N 2.67Å; A150-C152 PolarHBondContact O-N 2.88Å |
| 151 | D | 95.1 | Very high | 97.3 | Very high | 88 Ų | 88 | 35.1 Ų | 35.1 | 47% | 0.471 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.2 | 46.7 | -174.5 | -172.7 | 17.4 | 0 | 0 | 0 | 112.5 | Y146 E147 Q148 Q149 F205 | Y146-D151 WeakPolarHBondContact CE2-OD1 3.38Å; Y146-D151 PolarHBondContact OH-OD1 2.81Å; E147-D151 PolarHBondContact O-N 3.25Å; Q148-D151 PolarHBondContact O-N 2.97Å; Q149-D151 VanDerWaalsContact C-N 3.35Å; D151-F205 WeakPolarHBondContact O-CD1 3.44Å |
| 152 | C | 97 | Very high | 97.3 | Very high | 18 Ų | 18 | 35.5 Ų | 35.5 | 12% | 0.122 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 154.6 | -173.9 | 79.6 | 0 | 0 | 0 | 0 | 113.8 | Y146 E147 A150 P204 F205 | Y146-C152 WeakPolarHBondContact CA-O 3.37Å; E147-C152 PolarHBondContact N-O 3.29Å; E147-C152 PolarHBondContact O-N 3.43Å; A150-C152 PolarHBondContact O-N 2.88Å; C152-P204 CarbonylContact C-O 3.59Å; C152-P204 WeakPolarHBondContact CA-O 3.26Å; C152-P204 HydrophobicContact CB-CB 4.11Å; C152-F205 HydrophobicContact CB-CD1 3.87Å; C152-F205 HydrophobicContact CB-CE1 3.85Å |
| 153 | F | 97.9 | Very high | 97.2 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 1% | 0.013 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 128.7 | 165.4 | -57.2 | -58 | 0 | 0 | 0 | 109.4 | G145 Y146 W179 D181 D200 P204 H206 | G145-F153 WeakPolarHBondContact O-CA 3.29Å; Y146-F153 HydrophobicContact CD2-CD1 4.13Å; Y146-F153 HydrophobicContact CD2-CE1 4.11Å; F153-W179 HydrophobicContact CB-CB 3.77Å; F153-W179 HydrophobicContact CB-CG 4.18Å; F153-W179 VanDerWaalsContact O-CB 3.23Å; F153-W179 WeakPolarHBondContact O-CB 3.34Å; F153-D181 HydrophobicContact CD1-CB 4.05Å; F153-D181 HydrophobicContact CE1-CB 4.22Å; F153-D181 WeakPolarHBondContact CE1-OD2 3.46Å; F153-D200 HydrophobicContact CD2-CB 4.29Å; F153-D200 HydrophobicContact CE2-CB 4Å; F153-P204 WeakPolarHBondContact CB-O 3.34Å; F153-P204 WeakPolarHBondContact CD2-O 3.32Å; F153-P204 PolarHBondContact N-O 3.06Å; F153-P204 WeakPolarHBondContact O-CB 3.4Å; F153-H206 HydrophobicContact CE2-CB 4.33Å; F153-H206 HydrophobicContact CZ-CB 4.38Å |
| 154 | S | 97.7 | Very high | 97.2 | Very high | 10 Ų | 10 | 43.3 Ų | 43.3 | 7% | 0.07 | 23% | 0.234 | C | C | . | . | trans | -91 | 153.3 | 174.5 | 179.1 | 0 | 0 | 0 | 0 | 111.5 | G144 G145 D156 W179 R180 | G144-S154 WeakPolarHBondContact CA-O 3.46Å; G145-S154 PolarHBondContact O-N 2.86Å; S154-D156 PolarHBondContact OG-N 2.82Å; S154-D156 PolarHBondContact OG-OD2 2.87Å; S154-W179 VanDerWaalsContact O-CA 3.31Å; S154-W179 WeakPolarHBondContact O-CA 3.43Å; S154-R180 PolarHBondContact O-N 2.85Å; S154-R180 VanDerWaalsContact O-N 3.15Å | ||
| 155 | N | 97.2 | Very high | 97.2 | Very high | 54 Ų | 54 | 45.6 Ų | 45.6 | 29% | 0.289 | 25% | 0.245 | S | C | . | . | trans | -125 | 17.3 | 162.2 | 68.3 | -22 | 0 | 0 | 0 | 112.5 | F143 A177 W179 | F143-N155 HydrophobicContact CE2-CB 4.18Å; F143-N155 VanDerWaalsContact CE2-O 3.31Å; F143-N155 WeakPolarHBondContact CE2-O 3.36Å; F143-N155 HydrophobicContact CZ-CB 4.49Å; N155-A177 VanDerWaalsContact CB-O 3.29Å; N155-A177 WeakPolarHBondContact CB-O 3.4Å; N155-A177 PolarHBondContact ND2-O 3.22Å; N155-W179 HydrophobicContact CB-CB 4.28Å | ||
| 156 | D | 97.8 | Very high | 97.2 | Very high | 30 Ų | 30 | 47.6 Ų | 47.6 | 16% | 0.16 | 26% | 0.257 | C | S | . | . | trans | -67.5 | 154.9 | 176.3 | 71 | 46.4 | 0 | 0 | 0 | 111.2 | R128 F143 G144 S154 H158 L169 | R128-D156 IonicContact CZ-OD1 2.64Å; R128-D156 IonicContact CZ-OD2 3.51Å; R128-D156 VanDerWaalsContact NH1-CG 3.34Å; R128-D156 IonicContact NH1-OD1 3.51Å; R128-D156 PolarHBondContact NH1-OD1 2.92Å; R128-D156 IonicContact NH1-OD2 3.86Å; R128-D156 PolarHBondContact NH1-OD2 2.83Å; R128-D156 VanDerWaalsContact NH1-OD2 3.12Å; R128-D156 IonicContact NH2-OD1 3.12Å; R128-D156 IonicContact NH2-OD2 3.22Å; R128-D156 PolarHBondContact NH2-OD2 2.96Å; F143-D156 WeakPolarHBondContact CA-O 3.44Å; F143-D156 VanDerWaalsContact CD2-O 3.23Å; F143-D156 WeakPolarHBondContact CD2-O 3.42Å; G144-D156 PolarHBondContact N-O 2.88Å; G144-D156 VanDerWaalsContact N-O 3.14Å; S154-D156 PolarHBondContact OG-N 2.82Å; S154-D156 PolarHBondContact OG-OD2 2.87Å; D156-H158 VanDerWaalsContact CG-ND1 3.3Å; D156-H158 IonicContact OD1-CE1 2.67Å; D156-H158 PolarHBondContact OD1-CE1 3.32Å; D156-H158 IonicContact OD1-ND1 3.67Å; D156-H158 PolarHBondContact OD1-ND1 2.94Å; D156-H158 IonicContact OD2-CE1 4Å; D156-H158 PolarHBondContact OD2-CE1 3.43Å; D156-H158 IonicContact OD2-ND1 3.42Å; D156-L169 HydrophobicContact CB-CD1 3.98Å | ||
| 157 | I | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 122.6 | 164.9 | -58.3 | 174.2 | 0 | 0 | 0 | 107.3 | Y141 I142 F143 I170 T172 M192 F219 W226 | Y141-I157 HydrophobicContact CD1-CG2 4.18Å; I142-I157 WeakPolarHBondContact O-CA 3.5Å; F143-I157 HydrophobicContact CB-CG1 4.34Å; F143-I157 HydrophobicContact CD2-CD1 4.37Å; F143-I157 HydrophobicContact CD2-CG1 3.57Å; F143-I157 HydrophobicContact CE2-CG1 4.4Å; F143-I157 HydrophobicContact CG-CG1 4.32Å; I157-I170 HydrophobicContact CB-CB 4.36Å; I157-I170 HydrophobicContact CB-CD1 4.36Å; I157-I170 HydrophobicContact CG2-CD1 3.64Å; I157-I170 HydrophobicContact CG2-CG1 4.25Å; I157-I170 PolarHBondContact O-N 2.81Å; I157-T172 HydrophobicContact CB-CG2 4.28Å; I157-T172 HydrophobicContact CD1-CG2 3.81Å; I157-T172 HydrophobicContact CG1-CG2 4.16Å; I157-M192 HydrophobicContact CD1-CE 3.66Å; I157-M192 HydrophobicContact CG1-CE 4.18Å; I157-F219 HydrophobicContact CD1-CB 4.28Å; I157-F219 HydrophobicContact CD1-CD1 3.79Å; I157-F219 HydrophobicContact CD1-CD2 3.41Å; I157-F219 VanDerWaalsContact CD1-CD2 3.41Å; I157-F219 HydrophobicContact CD1-CE1 3.88Å; I157-F219 HydrophobicContact CD1-CE2 3.53Å; I157-F219 HydrophobicContact CD1-CG 3.54Å; I157-F219 HydrophobicContact CD1-CZ 3.76Å; I157-W226 HydrophobicContact CD1-CZ2 3.74Å; I157-W226 HydrophobicContact CG1-CZ2 4.35Å |
| 158 | H | 98.8 | Very high | 97.3 | Very high | 12 Ų | 12 | 46.5 Ų | 46.5 | 6% | 0.056 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 145.3 | 167.8 | -68.4 | 80 | 0 | 0 | 0 | 109.6 | T123 P125 Y141 I142 D156 W167 T168 | T123-H158 PolarHBondContact O-CD2 2.88Å; P125-H158 HydrophobicContact CB-CB 4.5Å; P125-H158 HydrophobicContact CG-CB 3.76Å; Y141-H158 WeakPolarHBondContact CA-O 3.46Å; I142-H158 HydrophobicContact CD1-CB 4.09Å; I142-H158 HydrophobicContact CG1-CB 3.72Å; I142-H158 PolarHBondContact N-O 2.93Å; I142-H158 PolarHBondContact O-N 2.93Å; I142-H158 VanDerWaalsContact O-N 3.1Å; D156-H158 VanDerWaalsContact CG-ND1 3.3Å; D156-H158 IonicContact OD1-CE1 2.67Å; D156-H158 PolarHBondContact OD1-CE1 3.32Å; D156-H158 IonicContact OD1-ND1 3.67Å; D156-H158 PolarHBondContact OD1-ND1 2.94Å; D156-H158 IonicContact OD2-CE1 4Å; D156-H158 PolarHBondContact OD2-CE1 3.43Å; D156-H158 IonicContact OD2-ND1 3.42Å; H158-W167 HydrophobicContact CB-CE3 3.89Å; H158-W167 HydrophobicContact CB-CZ3 4.05Å; H158-T168 WeakPolarHBondContact CA-O 3.14Å |
| 159 | K | 98.6 | Very high | 97.7 | Very high | 50 Ų | 50 | 45.8 Ų | 45.8 | 22% | 0.217 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 139 | 170.8 | 67.6 | -178.2 | -179.1 | -169.4 | 0 | 111.1 | I139 M140 Y141 W167 T168 I170 E224 | I139-K159 HydrophobicContact CG2-CB 3.71Å; I139-K159 HydrophobicContact CG2-CD 4.31Å; I139-K159 HydrophobicContact CG2-CG 4.37Å; M140-K159 CarbonylContact O-C 3.54Å; M140-K159 WeakPolarHBondContact O-CA 3.27Å; Y141-K159 HydrophobicContact CD1-CB 3.9Å; Y141-K159 HydrophobicContact CE1-CB 3.88Å; Y141-K159 HydrophobicContact CE1-CD 4.19Å; Y141-K159 HydrophobicContact CG-CB 4.48Å; K159-W167 CarbonylContact O-C 3.51Å; K159-W167 WeakPolarHBondContact O-CA 3.24Å; K159-T168 PolarHBondContact N-O 2.87Å; K159-T168 PolarHBondContact O-N 2.81Å; K159-I170 HydrophobicContact CB-CD1 4.21Å; K159-I170 HydrophobicContact CD-CD1 3.89Å; K159-I170 HydrophobicContact CD-CG1 4.13Å; K159-I170 HydrophobicContact CG-CD1 4.14Å; K159-I170 HydrophobicContact CG-CG1 4.12Å; K159-E224 IonicContact NZ-OE1 3.93Å; K159-E224 PolarHBondContact NZ-OE1 2.97Å |
| 160 | L | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 118.5 | 172.1 | 174 | 64.9 | 0 | 0 | 0 | 108.6 | L90 L105 V120 I139 M140 T162 W167 | L90-L160 HydrophobicContact CD1-CD2 4.14Å; L105-L160 HydrophobicContact CD1-CD2 4.23Å; L105-L160 HydrophobicContact CD2-CD2 3.57Å; V120-L160 HydrophobicContact CG1-CD1 4.46Å; I139-L160 WeakPolarHBondContact CA-O 3.46Å; M140-L160 HydrophobicContact CB-CB 4.3Å; M140-L160 PolarHBondContact N-O 2.82Å; M140-L160 PolarHBondContact O-N 3.04Å; L160-T162 HydrophobicContact CD2-CG2 4.39Å; L160-T162 HydrophobicContact CG-CG2 4.42Å; L160-T162 PolarHBondContact O-N 3.43Å; L160-W167 HydrophobicContact CB-CD2 3.72Å; L160-W167 HydrophobicContact CB-CE3 3.62Å; L160-W167 HydrophobicContact CB-CH2 3.69Å; L160-W167 HydrophobicContact CB-CZ2 3.79Å; L160-W167 HydrophobicContact CB-CZ3 3.6Å; L160-W167 HydrophobicContact CD1-CD2 4.04Å; L160-W167 HydrophobicContact CD1-CG 4.05Å; L160-W167 HydrophobicContact CD1-CZ2 4.5Å; L160-W167 HydrophobicContact CD2-CH2 4.32Å; L160-W167 HydrophobicContact CD2-CZ2 3.79Å; L160-W167 HydrophobicContact CG-CD2 4.37Å; L160-W167 HydrophobicContact CG-CZ2 4.24Å |
| 161 | D | 98.6 | Very high | 98 | Very high | 53 Ų | 53 | 40.6 Ų | 40.6 | 28% | 0.283 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 112.7 | 164.5 | -169.6 | -25.8 | 0 | 0 | 0 | 109.1 | I139 S163 T164 M165 T166 | I139-D161 HydrophobicContact CD1-CB 3.64Å; D161-S163 PolarHBondContact O-N 3.17Å; D161-S163 WeakPolarHBondContact OD1-CA 3.37Å; D161-S163 WeakPolarHBondContact OD1-CB 3.22Å; D161-S163 PolarHBondContact OD1-N 2.86Å; D161-S163 PolarHBondContact OD1-OG 2.77Å; D161-T164 PolarHBondContact O-N 3.44Å; D161-M165 WeakPolarHBondContact O-CA 3.37Å; D161-M165 PolarHBondContact O-N 3.43Å; D161-T166 PolarHBondContact N-O 3.13Å; D161-T166 PolarHBondContact O-N 2.83Å |
| 162 | T | 98.3 | Very high | 98 | Very high | 23 Ų | 23 | 38.5 Ų | 38.5 | 14% | 0.141 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -12.5 | -179 | 59.2 | 0 | 0 | 0 | 0 | 113.5 | I85 L90 K138 L160 | I85-T162 HydrophobicContact CD1-CG2 3.55Å; L90-T162 HydrophobicContact CD1-CG2 3.58Å; K138-T162 WeakPolarHBondContact CB-OG1 3.42Å; K138-T162 WeakPolarHBondContact O-CB 3.35Å; K138-T162 WeakPolarHBondContact O-CG2 3.32Å; K138-T162 PolarHBondContact O-N 3.47Å; K138-T162 PolarHBondContact O-OG1 2.9Å; L160-T162 HydrophobicContact CD2-CG2 4.39Å; L160-T162 HydrophobicContact CG-CG2 4.42Å; L160-T162 PolarHBondContact O-N 3.43Å |
| 163 | S | 97.9 | Very high | 98 | Very high | 79 Ų | 79 | 44 Ų | 44 | 55% | 0.552 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -32.9 | 174.8 | -37.9 | 0 | 0 | 0 | 0 | 111.3 | K138 D161 | K138-S163 WeakPolarHBondContact CD-OG 3.34Å; D161-S163 PolarHBondContact O-N 3.17Å; D161-S163 WeakPolarHBondContact OD1-CA 3.37Å; D161-S163 WeakPolarHBondContact OD1-CB 3.22Å; D161-S163 PolarHBondContact OD1-N 2.86Å; D161-S163 PolarHBondContact OD1-OG 2.77Å |
| 164 | T | 98.1 | Very high | 97.8 | Very high | 85 Ų | 85 | 46.5 Ų | 46.5 | 52% | 0.521 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | -9.2 | -179.6 | 69.1 | 0 | 0 | 0 | 0 | 113.4 | D161 T166 | D161-T164 PolarHBondContact O-N 3.44Å; T164-T166 VanDerWaalsContact C-N 3.26Å; T164-T166 PolarHBondContact O-N 2.88Å; T164-T166 PolarHBondContact O-OG1 3.24Å; T164-T166 VanDerWaalsContact OG1-CB 3.28Å; T164-T166 WeakPolarHBondContact OG1-CB 3.02Å; T164-T166 PolarHBondContact OG1-N 3.39Å; T164-T166 PolarHBondContact OG1-OG1 3.37Å |
| 165 | M | 98.3 | Very high | 97.7 | Very high | 48 Ų | 48 | 51 Ų | 51 | 24% | 0.236 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 43 | -169.6 | -65.1 | -67.6 | 177.4 | 0 | 0 | 112.3 | L105 P118 R119 V120 S121 D161 | L105-M165 HydrophobicContact CD2-SD 4.2Å; P118-M165 HydrophobicContact CB-CE 4.12Å; P118-M165 HydrophobicContact CB-CG 4.31Å; P118-M165 HydrophobicContact CB-SD 3.92Å; P118-M165 HydrophobicContact CG-CE 4.29Å; P118-M165 HydrophobicContact CG-SD 4.49Å; R119-M165 WeakPolarHBondContact O-CB 3.17Å; V120-M165 VanDerWaalsContact CA-O 3.26Å; V120-M165 WeakPolarHBondContact CA-O 3.43Å; V120-M165 HydrophobicContact CG1-CB 4.5Å; S121-M165 PolarHBondContact N-O 2.97Å; D161-M165 WeakPolarHBondContact O-CA 3.37Å; D161-M165 PolarHBondContact O-N 3.43Å |
| 166 | T | 98.8 | Very high | 97.5 | Very high | 41 Ų | 41 | 51 Ų | 51 | 25% | 0.252 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 123.6 | -178.7 | -50.6 | 0 | 0 | 0 | 0 | 111 | S121 D161 T164 | S121-T166 PolarHBondContact OG-OG1 2.67Å; D161-T166 PolarHBondContact N-O 3.13Å; D161-T166 PolarHBondContact O-N 2.83Å; T164-T166 VanDerWaalsContact C-N 3.26Å; T164-T166 PolarHBondContact O-N 2.88Å; T164-T166 PolarHBondContact O-OG1 3.24Å; T164-T166 VanDerWaalsContact OG1-CB 3.28Å; T164-T166 WeakPolarHBondContact OG1-CB 3.02Å; T164-T166 PolarHBondContact OG1-N 3.39Å; T164-T166 PolarHBondContact OG1-OG1 3.37Å |
| 167 | W | 98.9 | Very high | 97.4 | Very high | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.008 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 141 | 170.5 | -73.9 | 102.8 | 0 | 0 | 0 | 111.2 | W92 S121 G122 T123 P125 M140 I142 H158 K159 L160 | W92-W167 HydrophobicContact CD2-CH2 4.39Å; W92-W167 AromaticContact CD2-CZ2 3.94Å; W92-W167 HydrophobicContact CD2-CZ2 3.94Å; W92-W167 AromaticContact CE3-CZ2 3.72Å; W92-W167 HydrophobicContact CE3-CZ2 3.72Å; W92-W167 HydrophobicContact CH2-CZ2 4.37Å; W92-W167 AromaticContact CZ3-CZ2 3.94Å; W92-W167 HydrophobicContact CZ3-CZ2 3.94Å; W92-W167 AromaticContact CZ3-NE1 3.87Å; S121-W167 PolarHBondContact O-N 3.22Å; G122-W167 WeakPolarHBondContact CA-O 3.27Å; T123-W167 PolarHBondContact N-O 2.75Å; T123-W167 VanDerWaalsContact O-CB 3.3Å; T123-W167 WeakPolarHBondContact O-CB 3.4Å; T123-W167 PolarHBondContact OG1-O 2.96Å; P125-W167 HydrophobicContact CG-CD2 4Å; P125-W167 HydrophobicContact CG-CE3 3.83Å; P125-W167 HydrophobicContact CG-CH2 4.41Å; P125-W167 HydrophobicContact CG-CZ3 4.05Å; M140-W167 HydrophobicContact SD-CH2 4.27Å; I142-W167 HydrophobicContact CD1-CH2 4.26Å; I142-W167 HydrophobicContact CD1-CZ3 4.14Å; I142-W167 HydrophobicContact CG1-CH2 4.46Å; I142-W167 HydrophobicContact CG1-CZ3 4.08Å; I142-W167 HydrophobicContact CG2-CH2 4.09Å; I142-W167 HydrophobicContact CG2-CZ3 4.37Å; H158-W167 HydrophobicContact CB-CE3 3.89Å; H158-W167 HydrophobicContact CB-CZ3 4.05Å; K159-W167 CarbonylContact O-C 3.51Å; K159-W167 WeakPolarHBondContact O-CA 3.24Å; L160-W167 HydrophobicContact CB-CD2 3.72Å; L160-W167 HydrophobicContact CB-CE3 3.62Å; L160-W167 HydrophobicContact CB-CH2 3.69Å; L160-W167 HydrophobicContact CB-CZ2 3.79Å; L160-W167 HydrophobicContact CB-CZ3 3.6Å; L160-W167 HydrophobicContact CD1-CD2 4.04Å; L160-W167 HydrophobicContact CD1-CG 4.05Å; L160-W167 HydrophobicContact CD1-CZ2 4.5Å; L160-W167 HydrophobicContact CD2-CH2 4.32Å; L160-W167 HydrophobicContact CD2-CZ2 3.79Å; L160-W167 HydrophobicContact CG-CD2 4.37Å; L160-W167 HydrophobicContact CG-CZ2 4.24Å |
| 168 | T | 98.8 | Very high | 97.3 | Very high | 63 Ų | 63 | 52.1 Ų | 52.1 | 39% | 0.387 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 126.1 | 173.1 | -55.5 | 0 | 0 | 0 | 0 | 109.5 | T123 H158 K159 | T123-T168 VanDerWaalsContact OG1-C 3.3Å; T123-T168 VanDerWaalsContact OG1-CA 3.26Å; T123-T168 WeakPolarHBondContact OG1-CA 3.49Å; H158-T168 WeakPolarHBondContact CA-O 3.14Å; K159-T168 PolarHBondContact N-O 2.87Å; K159-T168 PolarHBondContact O-N 2.81Å |
| 169 | L | 98.6 | Very high | 97.2 | Very high | 78 Ų | 78 | 54.4 Ų | 54.4 | 41% | 0.408 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 122.5 | 167.2 | 172.2 | 62.3 | 0 | 0 | 0 | 107.5 | T123 D156 | T123-L169 PolarHBondContact OG1-N 2.88Å; D156-L169 HydrophobicContact CB-CD1 3.98Å |
| 170 | I | 98.3 | Very high | 97.2 | Very high | 8 Ų | 8 | 52.3 Ų | 52.3 | 4% | 0.041 | 30% | 0.302 | C | S | . | . | trans | -82 | 122.4 | 179.1 | -56.3 | -174.8 | 0 | 0 | 0 | 109 | Y141 I157 K159 T172 F219 E224 | Y141-I170 HydrophobicContact CD1-CD1 4.09Å; Y141-I170 HydrophobicContact CE1-CD1 3.88Å; I157-I170 HydrophobicContact CB-CB 4.36Å; I157-I170 HydrophobicContact CB-CD1 4.36Å; I157-I170 HydrophobicContact CG2-CD1 3.64Å; I157-I170 HydrophobicContact CG2-CG1 4.25Å; I157-I170 PolarHBondContact O-N 2.81Å; K159-I170 HydrophobicContact CB-CD1 4.21Å; K159-I170 HydrophobicContact CD-CD1 3.89Å; K159-I170 HydrophobicContact CD-CG1 4.13Å; K159-I170 HydrophobicContact CG-CD1 4.14Å; K159-I170 HydrophobicContact CG-CG1 4.12Å; I170-T172 HydrophobicContact CB-CG2 4.34Å; I170-T172 HydrophobicContact CG2-CG2 4.05Å; I170-T172 PolarHBondContact O-N 3.24Å; I170-F219 HydrophobicContact CD1-CE1 4.29Å; I170-F219 HydrophobicContact CD1-CZ 4.07Å; I170-F219 HydrophobicContact CG2-CZ 4.1Å; I170-E224 HydrophobicContact CG2-CB 3.69Å; I170-E224 HydrophobicContact CG2-CG 3.9Å | ||
| 171 | C | 96.3 | Very high | 97.2 | Very high | 108 Ų | 108 | 52.3 Ų | 52.3 | 73% | 0.73 | 30% | 0.302 | S | S | * | . | trans | -74.9 | 79.4 | 168.2 | -62.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 172 | T | 95.3 | Very high | 97.2 | Very high | 43 Ų | 43 | 50.4 Ų | 50.4 | 26% | 0.264 | 29% | 0.291 | S | S | . | . | trans | -62.7 | 137.1 | -172.9 | 65.4 | 0 | 0 | 0 | 0 | 112.1 | I157 I170 F219 E224 | I157-T172 HydrophobicContact CB-CG2 4.28Å; I157-T172 HydrophobicContact CD1-CG2 3.81Å; I157-T172 HydrophobicContact CG1-CG2 4.16Å; I170-T172 HydrophobicContact CB-CG2 4.34Å; I170-T172 HydrophobicContact CG2-CG2 4.05Å; I170-T172 PolarHBondContact O-N 3.24Å; T172-F219 HydrophobicContact CG2-CE2 3.84Å; T172-F219 HydrophobicContact CG2-CZ 4.5Å; T172-E224 WeakPolarHBondContact CA-O 3.44Å | ||
| 173 | K | 96 | Very high | 97.2 | Very high | 134 Ų | 134 | 50 Ų | 50 | 58% | 0.583 | 29% | 0.287 | S | S | * | . | B | Isolated β-bridge | trans | -96 | 166.2 | 173 | -60 | 169.4 | -171.1 | 163.6 | 0 | 111.5 | E224 A225 W226 | K173-E224 PolarHBondContact N-O 3.23Å; K173-A225 HydrophobicContact CB-CB 3.88Å; K173-A225 WeakPolarHBondContact O-CA 3.17Å; K173-W226 PolarHBondContact O-N 3Å |
| 174 | G | 95 | Very high | 97.2 | Very high | 56 Ų | 56 | 46.8 Ų | 46.8 | 58% | 0.577 | 27% | 0.265 | S | S | * | . | S | Bend | trans | 75.4 | -164.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | P176 | G174-P176 WeakPolarHBondContact O-CD 3.46Š|
| 175 | N | 94.3 | Very high | 97.2 | Very high | 105 Ų | 105 | 43.3 Ų | 43.3 | 56% | 0.561 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -85.5 | 116.4 | 179.1 | -67.4 | -47.8 | 0 | 0 | 0 | 108.9 | R217 W226 | N175-R217 PolarHBondContact O-NH2 2.61Å; N175-W226 WeakPolarHBondContact O-CB 3.5Å |
| 176 | P | 93.9 | Very high | 97.2 | Very high | 52 Ų | 52 | 41.7 Ų | 41.7 | 34% | 0.338 | 24% | 0.238 | S | C | . | . | P | Polyproline II helix | trans | -71.2 | 159.1 | -177.9 | 27.7 | -34.3 | 0 | 0 | 0 | 113.5 | G174 R217 W226 | G174-P176 WeakPolarHBondContact O-CD 3.46Å; P176-R217 PolarHBondContact O-NH1 2.87Å; P176-R217 PolarHBondContact O-NH2 3.28Å; P176-R217 VanDerWaalsContact O-NH2 3.1Å; P176-W226 VanDerWaalsContact CA-CD1 3.43Å; P176-W226 HydrophobicContact CB-CG 4.5Å |
| 177 | A | 95.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -58.8 | 140.7 | 160.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | F143 N155 R217 W226 | F143-A177 HydrophobicContact CE1-CB 4.19Å; F143-A177 HydrophobicContact CE2-CB 4.26Å; F143-A177 HydrophobicContact CZ-CB 3.53Å; N155-A177 VanDerWaalsContact CB-O 3.29Å; N155-A177 WeakPolarHBondContact CB-O 3.4Å; N155-A177 PolarHBondContact ND2-O 3.22Å; A177-R217 HydrophobicContact CB-CB 3.97Å; A177-R217 HydrophobicContact CB-CG 3.92Å; A177-W226 HydrophobicContact CB-CE3 4.18Å; A177-W226 HydrophobicContact CB-CH2 3.31Å; A177-W226 HydrophobicContact CB-CZ2 3.66Å; A177-W226 HydrophobicContact CB-CZ3 3.61Å |
| 178 | R | 95.4 | Very high | 97.2 | Very high | 55 Ų | 55 | 42.3 Ų | 42.3 | 21% | 0.208 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -57.8 | 147.7 | 174 | -125.8 | 171.8 | 68.3 | 100.7 | 9.8 | 111 | R180 A199 D200 R201 | R178-R180 VanDerWaalsContact N-NH2 3.1Å; R178-R180 PolarHBondContact O-NE 2.67Å; R178-R180 PolarHBondContact O-NH2 3.2Å; R178-R180 VanDerWaalsContact O-NH2 3.14Å; R178-A199 VanDerWaalsContact NH2-C 3.33Å; R178-D200 PolarHBondContact NH1-O 2.87Å; R178-D200 PolarHBondContact NH2-O 2.82Å; R178-R201 PolarHBondContact NH1-O 2.76Å |
| 179 | W | 97.6 | Very high | 97.1 | Very high | 60 Ų | 60 | 42.3 Ų | 42.3 | 23% | 0.227 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -49.3 | 136.3 | 170.2 | 51.1 | 84.9 | 0 | 0 | 0 | 111.3 | F153 S154 N155 A199 D200 G203 P204 | F153-W179 HydrophobicContact CB-CB 3.77Å; F153-W179 HydrophobicContact CB-CG 4.18Å; F153-W179 VanDerWaalsContact O-CB 3.23Å; F153-W179 WeakPolarHBondContact O-CB 3.34Å; S154-W179 VanDerWaalsContact O-CA 3.31Å; S154-W179 WeakPolarHBondContact O-CA 3.43Å; N155-W179 HydrophobicContact CB-CB 4.28Å; W179-A199 WeakPolarHBondContact O-CB 3.34Å; W179-D200 PolarHBondContact NE1-O 2.76Å; W179-D200 VanDerWaalsContact NE1-O 3.1Å; W179-G203 VanDerWaalsContact CE2-O 3.23Å; W179-G203 VanDerWaalsContact CZ2-CA 3.4Å; W179-G203 PolarHBondContact NE1-O 2.94Å; W179-P204 HydrophobicContact CB-CB 4.39Å; W179-P204 HydrophobicContact CD2-CB 4.22Å; W179-P204 HydrophobicContact CG-CB 4.08Å |
| 180 | R | 98.3 | Very high | 97 | Very high | 5 Ų | 5 | 39.9 Ų | 39.9 | 2% | 0.019 | 24% | 0.241 | C | C | . | . | trans | -166.7 | 154.5 | -175.2 | 64.5 | -171.1 | 75.9 | -162.8 | -2.5 | 113.6 | F143 G145 S154 R178 H183 G196 R198 A199 | F143-R180 HydrophobicContact CE1-CG 4.18Å; G145-R180 PolarHBondContact N-O 2.92Å; S154-R180 PolarHBondContact O-N 2.85Å; S154-R180 VanDerWaalsContact O-N 3.15Å; R178-R180 VanDerWaalsContact N-NH2 3.1Å; R178-R180 PolarHBondContact O-NE 2.67Å; R178-R180 PolarHBondContact O-NH2 3.2Å; R178-R180 VanDerWaalsContact O-NH2 3.14Å; R180-H183 HydrophobicContact CG-CB 4.09Å; R180-H183 WeakPolarHBondContact CG-ND1 3.44Å; R180-G196 PolarHBondContact NH1-O 2.69Å; R180-R198 CarbonylContact C-O 3.5Å; R180-R198 WeakPolarHBondContact CA-O 3.44Å; R180-R198 VanDerWaalsContact CB-O 3.26Å; R180-R198 WeakPolarHBondContact CB-O 3.09Å; R180-A199 HydrophobicContact CB-CB 4.11Å | ||
| 181 | D | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 168 | 166.7 | 71.7 | -8.4 | 0 | 0 | 0 | 111.6 | G130 F153 H183 G197 R198 | G130-D181 CarbonylContact O-C 3.57Å; G130-D181 WeakPolarHBondContact O-CA 3.43Å; F153-D181 HydrophobicContact CD1-CB 4.05Å; F153-D181 HydrophobicContact CE1-CB 4.22Å; F153-D181 WeakPolarHBondContact CE1-OD2 3.46Å; D181-H183 PolarHBondContact O-N 2.98Å; D181-G197 CarbonylContact O-C 3.47Å; D181-G197 WeakPolarHBondContact O-CA 3.06Å; D181-R198 PolarHBondContact N-O 3Å; D181-R198 PolarHBondContact O-N 2.95Å; D181-R198 WeakPolarHBondContact OD1-CB 3.34Å; D181-R198 IonicContact OD1-CZ 3.93Å; D181-R198 IonicContact OD1-NE 3.87Å; D181-R198 PolarHBondContact OD1-NE 2.97Å; D181-R198 IonicContact OD1-NH2 3.63Å; D181-R198 IonicContact OD2-CZ 2.67Å; D181-R198 IonicContact OD2-NE 3.13Å; D181-R198 PolarHBondContact OD2-NE 3.41Å; D181-R198 IonicContact OD2-NH2 3.99Å; D181-R198 PolarHBondContact OD2-NH2 2.94Å |
| 182 | F | 98.3 | Very high | 97.2 | Very high | 13 Ų | 13 | 36.8 Ų | 36.8 | 6% | 0.057 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 50 | 35.1 | 178.8 | -62.1 | -68.4 | 0 | 0 | 0 | 114.2 | G130 R240 S241 | G130-F182 PolarHBondContact O-N 3Å; F182-R240 HydrophobicContact CB-CB 3.86Å; F182-R240 HydrophobicContact CB-CG 4.41Å; F182-R240 CarbonylContact O-C 3.6Å; F182-R240 WeakPolarHBondContact O-CA 3.3Å; F182-S241 PolarHBondContact O-N 3.03Å |
| 183 | H | 98.8 | Very high | 97.3 | Very high | 14 Ų | 14 | 35.7 Ų | 35.7 | 7% | 0.065 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 175.9 | 172.2 | 63.5 | -76.7 | 0 | 0 | 0 | 110.1 | S132 F143 R180 D181 | S132-H183 WeakPolarHBondContact CB-NE2 3.48Å; S132-H183 PolarHBondContact OG-CD2 3.28Å; S132-H183 PolarHBondContact OG-NE2 3.1Å; F143-H183 AromaticContact CD1-CD2 3.79Å; F143-H183 AromaticContact CD1-CE1 3.93Å; F143-H183 AromaticContact CD1-NE2 3.14Å; F143-H183 WeakPolarHBondContact CD1-NE2 3.26Å; F143-H183 AromaticContact CE1-NE2 3.64Å; F143-H183 PolarHBondContact O-CE1 2.66Å; F143-H183 PolarHBondContact O-NE2 3.04Å; R180-H183 HydrophobicContact CG-CB 4.09Å; R180-H183 WeakPolarHBondContact CG-ND1 3.44Å; D181-H183 PolarHBondContact O-N 2.98Å |
| 184 | S | 98.6 | Very high | 97.4 | Very high | 12 Ų | 12 | 29.3 Ų | 29.3 | 8% | 0.084 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 143.9 | 168 | 64.9 | 0 | 0 | 0 | 0 | 111.1 | V194 F195 H242 A244 | S184-V194 WeakPolarHBondContact O-CA 3.08Å; S184-F195 PolarHBondContact N-O 3.36Å; S184-F195 PolarHBondContact O-N 3.13Å; S184-F195 PolarHBondContact OG-O 2.86Å; S184-H242 VanDerWaalsContact CB-NE2 3.34Å; S184-H242 WeakPolarHBondContact CB-NE2 3.2Å; S184-H242 PolarHBondContact OG-NE2 3.09Å; S184-A244 VanDerWaalsContact CB-CB 3.41Å; S184-A244 WeakPolarHBondContact OG-CB 3.46Å |
| 185 | A | 98.4 | Very high | 97.6 | Very high | 12 Ų | 12 | 26.7 Ų | 26.7 | 10% | 0.099 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 135.8 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | S132 M192 Y193 V194 | S132-A185 WeakPolarHBondContact OG-CB 3.33Å; A185-M192 HydrophobicContact CB-CG 3.87Å; A185-M192 HydrophobicContact CB-SD 3.92Å; A185-Y193 CarbonylContact C-O 3.58Å; A185-Y193 VanDerWaalsContact CA-O 3.3Å; A185-Y193 WeakPolarHBondContact CA-O 3.29Å; A185-V194 HydrophobicContact CB-CG2 4.13Å |
| 186 | T | 98.4 | Very high | 97.8 | Very high | 14 Ų | 14 | 21.7 Ų | 21.7 | 9% | 0.086 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 126.1 | 177.7 | -57.3 | 0 | 0 | 0 | 0 | 109 | L188 Y193 L251 | T186-L188 HydrophobicContact CG2-CD2 4.47Å; T186-L188 HydrophobicContact CG2-CG 4.44Å; T186-Y193 PolarHBondContact N-O 2.85Å; T186-Y193 PolarHBondContact O-N 3.14Å; T186-L251 HydrophobicContact CG2-CD1 3.93Å; T186-L251 WeakPolarHBondContact OG1-CD1 3.44Å |
| 187 | M | 98.4 | Very high | 98 | Very high | 32 Ų | 32 | 19.2 Ų | 19.2 | 16% | 0.158 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 125 | 175.5 | -169.1 | 64.5 | 66.6 | 0 | 0 | 109.5 | C134 V135 L136 Y141 G189 H191 M192 T221 | C134-M187 HydrophobicContact CB-CB 4.1Å; V135-M187 WeakPolarHBondContact O-CG 3.34Å; L136-M187 HydrophobicContact CB-CE 4.22Å; L136-M187 HydrophobicContact CB-CG 4.37Å; L136-M187 HydrophobicContact CB-SD 4.46Å; Y141-M187 HydrophobicContact CD2-CE 4Å; Y141-M187 HydrophobicContact CE2-CE 4.3Å; M187-G189 WeakPolarHBondContact CG-O 3.18Å; M187-H191 VanDerWaalsContact SD-O 3.38Å; M187-M192 HydrophobicContact CE-CB 4.02Å; M187-M192 HydrophobicContact SD-CB 4.42Å; M187-T221 HydrophobicContact CE-CG2 3.7Å; M187-T221 HydrophobicContact SD-CG2 4.14Å |
| 188 | L | 98.1 | Very high | 98.1 | Very high | 24 Ų | 24 | 21 Ų | 21 | 13% | 0.126 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 114 | 168.9 | -61.4 | 173.9 | 0 | 0 | 0 | 108.4 | T186 S190 H191 Y193 L251 P273 | T186-L188 HydrophobicContact CG2-CD2 4.47Å; T186-L188 HydrophobicContact CG2-CG 4.44Å; L188-S190 PolarHBondContact O-N 3.47Å; L188-H191 PolarHBondContact N-O 3.42Å; L188-H191 PolarHBondContact O-N 3.09Å; L188-Y193 HydrophobicContact CB-CD2 4.07Å; L188-Y193 HydrophobicContact CB-CE2 3.75Å; L188-Y193 HydrophobicContact CD1-CD2 4.08Å; L188-Y193 HydrophobicContact CD1-CE2 4.13Å; L188-Y193 HydrophobicContact CG-CD2 4.19Å; L188-Y193 HydrophobicContact CG-CE2 4.29Å; L188-L251 HydrophobicContact CD1-CB 4.02Å; L188-P273 HydrophobicContact CD1-CG 3.79Å |
| 189 | G | 96.9 | Very high | 98.2 | Very high | 63 Ų | 63 | 18.4 Ų | 18.4 | 65% | 0.649 | 11% | 0.106 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | -128.9 | -168.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | L136 M187 | L136-G189 WeakPolarHBondContact CD1-O 3.43Å; M187-G189 WeakPolarHBondContact CG-O 3.18Å |
| 190 | S | 97.4 | Very high | 98 | Very high | 28 Ų | 28 | 15.7 Ų | 15.7 | 20% | 0.196 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 12.4 | 175.9 | 63.5 | 0 | 0 | 0 | 0 | 114.2 | L188 T221 | L188-S190 PolarHBondContact O-N 3.47Å; S190-T221 WeakPolarHBondContact O-CB 3.14Å; S190-T221 WeakPolarHBondContact O-CG2 2.97Å; S190-T221 PolarHBondContact O-N 2.81Å; S190-T221 PolarHBondContact O-OG1 2.83Å |
| 191 | H | 98.6 | Very high | 97.8 | Very high | 49 Ų | 49 | 21.7 Ų | 21.7 | 23% | 0.227 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 129.4 | -175.1 | -64.9 | 99.6 | 0 | 0 | 0 | 111.3 | M187 L188 Y193 V218 F219 | M187-H191 VanDerWaalsContact SD-O 3.38Å; L188-H191 PolarHBondContact N-O 3.42Å; L188-H191 PolarHBondContact O-N 3.09Å; H191-Y193 HydrophobicContact CB-CD2 4.3Å; H191-Y193 HydrophobicContact CB-CE2 3.5Å; H191-Y193 VanDerWaalsContact CB-CE2 3.5Å; H191-Y193 WeakPolarHBondContact O-CD2 3.42Å; H191-Y193 WeakPolarHBondContact O-CE2 3.3Å; H191-V218 HydrophobicContact CB-CG1 3.9Å; H191-F219 WeakPolarHBondContact CA-O 3.5Å |
| 192 | M | 98.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 117.3 | 172 | 179.5 | 178 | 67.2 | 0 | 0 | 109.6 | C134 F143 I157 A185 M187 V194 V218 F219 W226 | C134-M192 VanDerWaalsContact SG-SD 3.69Å; F143-M192 HydrophobicContact CB-CE 4.06Å; F143-M192 HydrophobicContact CB-SD 4.31Å; F143-M192 HydrophobicContact CG-CE 4.31Å; I157-M192 HydrophobicContact CD1-CE 3.66Å; I157-M192 HydrophobicContact CG1-CE 4.18Å; A185-M192 HydrophobicContact CB-CG 3.87Å; A185-M192 HydrophobicContact CB-SD 3.92Å; M187-M192 HydrophobicContact CE-CB 4.02Å; M187-M192 HydrophobicContact SD-CB 4.42Å; M192-V194 HydrophobicContact CE-CG2 4.3Å; M192-V194 HydrophobicContact CG-CG2 4.33Å; M192-V218 WeakPolarHBondContact O-CA 3.37Å; M192-F219 HydrophobicContact CB-CB 4.3Å; M192-F219 HydrophobicContact CB-CD1 4.43Å; M192-F219 HydrophobicContact CE-CB 3.82Å; M192-F219 HydrophobicContact CE-CD1 3.92Å; M192-F219 HydrophobicContact CE-CG 4.05Å; M192-F219 PolarHBondContact N-O 3.19Å; M192-F219 PolarHBondContact O-N 3.49Å; M192-W226 HydrophobicContact CE-CH2 4.36Å |
| 193 | Y | 98.5 | Very high | 97.4 | Very high | 21 Ų | 21 | 29 Ų | 29 | 8% | 0.082 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 119.8 | 178.2 | -65.3 | -98.5 | 0 | 0 | 0 | 110.1 | A185 T186 L188 H191 I216 V218 F271 P273 | A185-Y193 CarbonylContact C-O 3.58Å; A185-Y193 VanDerWaalsContact CA-O 3.3Å; A185-Y193 WeakPolarHBondContact CA-O 3.29Å; T186-Y193 PolarHBondContact N-O 2.85Å; T186-Y193 PolarHBondContact O-N 3.14Å; L188-Y193 HydrophobicContact CB-CD2 4.07Å; L188-Y193 HydrophobicContact CB-CE2 3.75Å; L188-Y193 HydrophobicContact CD1-CD2 4.08Å; L188-Y193 HydrophobicContact CD1-CE2 4.13Å; L188-Y193 HydrophobicContact CG-CD2 4.19Å; L188-Y193 HydrophobicContact CG-CE2 4.29Å; H191-Y193 HydrophobicContact CB-CD2 4.3Å; H191-Y193 HydrophobicContact CB-CE2 3.5Å; H191-Y193 VanDerWaalsContact CB-CE2 3.5Å; H191-Y193 WeakPolarHBondContact O-CD2 3.42Å; H191-Y193 WeakPolarHBondContact O-CE2 3.3Å; Y193-I216 HydrophobicContact CD1-CG2 4.03Å; Y193-V218 HydrophobicContact CD1-CG1 4.48Å; Y193-V218 HydrophobicContact CD1-CG2 3.69Å; Y193-V218 HydrophobicContact CE1-CG1 4.13Å; Y193-V218 HydrophobicContact CE1-CG2 3.63Å; Y193-F271 HydrophobicContact CD1-CD1 4.41Å; Y193-F271 AromaticContact CD1-CE1 3.87Å; Y193-F271 HydrophobicContact CD1-CE1 3.87Å; Y193-F271 AromaticContact CE1-CE1 3.87Å; Y193-F271 HydrophobicContact CE1-CE1 3.87Å; Y193-P273 HydrophobicContact CE1-CB 3.97Å; Y193-P273 HydrophobicContact CE1-CG 4.3Å; Y193-P273 WeakPolarHBondContact OH-CB 3.45Å |
| 194 | V | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 126.2 | -179.7 | 173.2 | 0 | 0 | 0 | 0 | 110.1 | F143 S184 A185 M192 I216 R217 W226 | F143-V194 HydrophobicContact CD1-CG1 4.09Å; F143-V194 HydrophobicContact CD1-CG2 3.72Å; F143-V194 HydrophobicContact CE1-CB 4.41Å; F143-V194 HydrophobicContact CE1-CG1 3.64Å; F143-V194 HydrophobicContact CE1-CG2 3.98Å; S184-V194 WeakPolarHBondContact O-CA 3.08Å; A185-V194 HydrophobicContact CB-CG2 4.13Å; M192-V194 HydrophobicContact CE-CG2 4.3Å; M192-V194 HydrophobicContact CG-CG2 4.33Å; V194-I216 WeakPolarHBondContact O-CA 3.42Å; V194-R217 HydrophobicContact CB-CB 4.33Å; V194-R217 PolarHBondContact N-O 3.09Å; V194-R217 PolarHBondContact O-N 2.86Å; V194-W226 HydrophobicContact CB-CH2 4.46Å; V194-W226 HydrophobicContact CG2-CH2 3.92Å; V194-W226 HydrophobicContact CG2-CZ3 4.27Å |
| 195 | F | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 149.1 | 177 | -175.6 | -97.2 | 0 | 0 | 0 | 111.6 | S184 N214 I216 P236 R239 H242 I253 W278 | S184-F195 PolarHBondContact N-O 3.36Å; S184-F195 PolarHBondContact O-N 3.13Å; S184-F195 PolarHBondContact OG-O 2.86Å; F195-N214 WeakPolarHBondContact CE2-O 3.45Å; F195-I216 HydrophobicContact CB-CD1 3.72Å; F195-I216 HydrophobicContact CD2-CD1 3.95Å; F195-I216 HydrophobicContact CD2-CG1 4.12Å; F195-I216 HydrophobicContact CG-CD1 4.24Å; F195-P236 HydrophobicContact CE1-CG 4.23Å; F195-P236 HydrophobicContact CE2-CG 3.98Å; F195-P236 HydrophobicContact CZ-CB 4.3Å; F195-P236 HydrophobicContact CZ-CG 3.58Å; F195-R239 HydrophobicContact CE1-CG 3.97Å; F195-H242 AromaticContact CD1-CE1 3.87Å; F195-H242 AromaticContact CD1-NE2 3.63Å; F195-H242 PolarHBondContact O-CE1 2.98Å; F195-I253 HydrophobicContact CD1-CD1 3.61Å; F195-I253 HydrophobicContact CD1-CG2 4.12Å; F195-I253 HydrophobicContact CE1-CD1 3.23Å; F195-I253 HydrophobicContact CG-CD1 4.49Å; F195-I253 HydrophobicContact CZ-CD1 3.83Å; F195-W278 HydrophobicContact CD2-CH2 4.36Å; F195-W278 AromaticContact CD2-CZ2 3.64Å; F195-W278 HydrophobicContact CD2-CZ2 3.64Å; F195-W278 AromaticContact CE2-CZ2 3.93Å; F195-W278 HydrophobicContact CE2-CZ2 3.93Å; F195-W278 HydrophobicContact CG-CH2 4.47Å; F195-W278 HydrophobicContact CG-CZ2 4.16Å |
| 196 | G | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 73.7 | -157.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | R180 C213 R239 | R180-G196 PolarHBondContact NH1-O 2.69Å; G196-C213 WeakPolarHBondContact CA-O 3.39Å; G196-C213 PolarHBondContact N-O 3.18Å; G196-C213 WeakPolarHBondContact O-CB 3.2Å; G196-R239 CarbonylContact C-O 3.56Å; G196-R239 VanDerWaalsContact CA-O 3.22Å; G196-R239 WeakPolarHBondContact CA-O 3.04Å |
| 197 | G | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 95.3 | 153.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | D181 Y212 C213 R239 | D181-G197 CarbonylContact O-C 3.47Å; D181-G197 WeakPolarHBondContact O-CA 3.06Å; G197-Y212 WeakPolarHBondContact O-CA 3.45Å; G197-C213 PolarHBondContact O-N 2.83Å; G197-C213 VanDerWaalsContact O-N 3.08Å; G197-R239 PolarHBondContact N-O 2.81Å |
| 198 | R | 97.6 | Very high | 95.9 | Very high | 39 Ų | 39 | 46.9 Ų | 46.9 | 15% | 0.147 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 142.4 | 166 | 163.8 | -175.5 | 70.3 | 160.3 | 8.3 | 108.6 | R180 D181 E210 Y212 R240 | R180-R198 CarbonylContact C-O 3.5Å; R180-R198 WeakPolarHBondContact CA-O 3.44Å; R180-R198 VanDerWaalsContact CB-O 3.26Å; R180-R198 WeakPolarHBondContact CB-O 3.09Å; D181-R198 PolarHBondContact N-O 3Å; D181-R198 PolarHBondContact O-N 2.95Å; D181-R198 WeakPolarHBondContact OD1-CB 3.34Å; D181-R198 IonicContact OD1-CZ 3.93Å; D181-R198 IonicContact OD1-NE 3.87Å; D181-R198 PolarHBondContact OD1-NE 2.97Å; D181-R198 IonicContact OD1-NH2 3.63Å; D181-R198 IonicContact OD2-CZ 2.67Å; D181-R198 IonicContact OD2-NE 3.13Å; D181-R198 PolarHBondContact OD2-NE 3.41Å; D181-R198 IonicContact OD2-NH2 3.99Å; D181-R198 PolarHBondContact OD2-NH2 2.94Å; R198-E210 VanDerWaalsContact CD-CD 3.45Å; R198-E210 WeakPolarHBondContact CD-OE1 3.35Å; R198-E210 IonicContact CZ-OE1 3.17Å; R198-E210 IonicContact NE-OE1 3.37Å; R198-E210 IonicContact NH1-OE1 3.33Å; R198-E210 PolarHBondContact NH1-OE1 3.36Å; R198-Y212 HydrophobicContact CB-CE1 4.15Å; R198-R240 HydrophobicContact CB-CB 4.33Å |
| 199 | A | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 169.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109 | R178 W179 R180 E210 I211 | R178-A199 VanDerWaalsContact NH2-C 3.33Å; W179-A199 WeakPolarHBondContact O-CB 3.34Å; R180-A199 HydrophobicContact CB-CB 4.11Å; A199-E210 CarbonylContact O-C 3.58Å; A199-E210 WeakPolarHBondContact O-CA 3.22Å; A199-I211 HydrophobicContact CB-CG1 4.11Å; A199-I211 PolarHBondContact N-O 2.81Å; A199-I211 PolarHBondContact O-N 3.18Å |
| 200 | D | 95.2 | Very high | 95.4 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.016 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 132.7 | 178.5 | -176.2 | -75.6 | 0 | 0 | 0 | 112.7 | F153 R178 W179 F202 G203 F205 S207 | F153-D200 HydrophobicContact CD2-CB 4.29Å; F153-D200 HydrophobicContact CE2-CB 4Å; R178-D200 PolarHBondContact NH1-O 2.87Å; R178-D200 PolarHBondContact NH2-O 2.82Å; W179-D200 PolarHBondContact NE1-O 2.76Å; W179-D200 VanDerWaalsContact NE1-O 3.1Å; D200-F202 VanDerWaalsContact C-N 3.29Å; D200-F202 PolarHBondContact O-N 3.36Å; D200-F202 PolarHBondContact OD1-N 3.08Å; D200-G203 WeakPolarHBondContact CB-O 3.4Å; D200-F205 VanDerWaalsContact CB-O 3.29Å; D200-F205 WeakPolarHBondContact CB-O 3.46Å; D200-S207 VanDerWaalsContact CG-OG 3.28Å; D200-S207 PolarHBondContact OD1-OG 3.16Å; D200-S207 WeakPolarHBondContact OD2-CA 3.44Å; D200-S207 WeakPolarHBondContact OD2-CB 3.12Å; D200-S207 PolarHBondContact OD2-N 2.8Å; D200-S207 PolarHBondContact OD2-OG 2.56Å |
| 201 | R | 93.7 | Very high | 95.4 | Very high | 130 Ų | 130 | 48.2 Ų | 48.2 | 49% | 0.491 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -51.6 | -41.3 | -173.4 | -179.2 | 177.7 | -67 | -85.4 | -0.5 | 114.1 | R178 N209 I211 | R178-R201 PolarHBondContact NH1-O 2.76Å; R201-N209 HydrophobicContact CB-CB 3.98Å; R201-N209 WeakPolarHBondContact CB-O 3.35Å; R201-N209 PolarHBondContact N-O 2.89Å; R201-I211 HydrophobicContact CB-CG2 4.13Å |
| 202 | F | 92.8 | Very high | 95.3 | Very high | 153 Ų | 153 | 46.7 Ų | 46.7 | 67% | 0.671 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -99.7 | -19.3 | -164.3 | -62.6 | -58.3 | 0 | 0 | 0 | 114.3 | D200 N209 | D200-F202 VanDerWaalsContact C-N 3.29Å; D200-F202 PolarHBondContact O-N 3.36Å; D200-F202 PolarHBondContact OD1-N 3.08Å; F202-N209 HydrophobicContact CD2-CB 3.96Å; F202-N209 HydrophobicContact CE2-CB 3.78Å; F202-N209 WeakPolarHBondContact CE2-ND2 3.34Å |
| 203 | G | 93.9 | Very high | 95.1 | Very high | 13 Ų | 13 | 47.5 Ų | 47.5 | 13% | 0.134 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -178.6 | -178.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | W179 D200 F205 | W179-G203 VanDerWaalsContact CE2-O 3.23Å; W179-G203 VanDerWaalsContact CZ2-CA 3.4Å; W179-G203 PolarHBondContact NE1-O 2.94Å; D200-G203 WeakPolarHBondContact CB-O 3.4Å; G203-F205 PolarHBondContact O-N 3.45Å |
| 204 | P | 95.1 | Very high | 94.9 | Very high | 41 Ų | 41 | 48.3 Ų | 48.3 | 27% | 0.266 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -70.3 | -15.7 | 179.7 | 31.8 | -36.3 | 0 | 0 | 0 | 112.6 | C152 F153 W179 | C152-P204 CarbonylContact C-O 3.59Å; C152-P204 WeakPolarHBondContact CA-O 3.26Å; C152-P204 HydrophobicContact CB-CB 4.11Å; F153-P204 WeakPolarHBondContact CB-O 3.34Å; F153-P204 WeakPolarHBondContact CD2-O 3.32Å; F153-P204 PolarHBondContact N-O 3.06Å; F153-P204 WeakPolarHBondContact O-CB 3.4Å; W179-P204 HydrophobicContact CB-CB 4.39Å; W179-P204 HydrophobicContact CD2-CB 4.22Å; W179-P204 HydrophobicContact CG-CB 4.08Å |
| 205 | F | 95.7 | Very high | 94.7 | Very high | 124 Ų | 124 | 56 Ų | 56 | 54% | 0.544 | 27% | 0.265 | S | S | . | . | B | Isolated β-bridge | trans | -81.6 | 145.9 | 179.2 | -54.3 | -76.1 | 0 | 0 | 0 | 111.5 | D151 C152 D200 G203 | D151-F205 WeakPolarHBondContact O-CD1 3.44Å; C152-F205 HydrophobicContact CB-CD1 3.87Å; C152-F205 HydrophobicContact CB-CE1 3.85Å; D200-F205 VanDerWaalsContact CB-O 3.29Å; D200-F205 WeakPolarHBondContact CB-O 3.46Å; G203-F205 PolarHBondContact O-N 3.45Å |
| 206 | H | 89.5 | Confident | 94.6 | Very high | 98 Ų | 98 | 56.2 Ų | 56.2 | 45% | 0.454 | 27% | 0.266 | S | S | . | . | trans | -67.1 | 132.9 | 177.8 | -179.5 | 62.1 | 0 | 0 | 0 | 111.1 | F153 E210 | F153-H206 HydrophobicContact CE2-CB 4.33Å; F153-H206 HydrophobicContact CZ-CB 4.38Å; H206-E210 IonicContact CE1-OE1 3.93Å; H206-E210 PolarHBondContact CE1-OE1 3.02Å; H206-E210 IonicContact ND1-OE1 3.93Å | ||
| 207 | S | 91.4 | Very high | 94.5 | Very high | 35 Ų | 35 | 58.9 Ų | 58.9 | 25% | 0.245 | 28% | 0.276 | C | S | . | . | trans | -141.4 | 178.9 | 169.9 | 88.8 | 0 | 0 | 0 | 0 | 110.5 | D200 N209 | D200-S207 VanDerWaalsContact CG-OG 3.28Å; D200-S207 PolarHBondContact OD1-OG 3.16Å; D200-S207 WeakPolarHBondContact OD2-CA 3.44Å; D200-S207 WeakPolarHBondContact OD2-CB 3.12Å; D200-S207 PolarHBondContact OD2-N 2.8Å; D200-S207 PolarHBondContact OD2-OG 2.56Å; S207-N209 PolarHBondContact O-N 3.34Å; S207-N209 PolarHBondContact OG-N 3.1Å; S207-N209 VanDerWaalsContact OG-N 3.1Å; S207-N209 PolarHBondContact OG-ND2 2.85Å | ||
| 208 | N | 89.4 | Confident | 94.5 | Very high | 162 Ų | 162 | 59 Ų | 59 | 87% | 0.866 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -71.2 | 8.2 | 174.5 | -63.8 | -20.1 | 0 | 0 | 0 | 113.8 | ||
| 209 | N | 92.9 | Very high | 94.6 | Very high | 69 Ų | 69 | 57.2 Ų | 57.2 | 37% | 0.369 | 27% | 0.27 | S | S | . | . | trans | -111.2 | 44 | -177.5 | -64 | -89 | 0 | 0 | 0 | 112 | R201 F202 S207 | R201-N209 HydrophobicContact CB-CB 3.98Å; R201-N209 WeakPolarHBondContact CB-O 3.35Å; R201-N209 PolarHBondContact N-O 2.89Å; F202-N209 HydrophobicContact CD2-CB 3.96Å; F202-N209 HydrophobicContact CE2-CB 3.78Å; F202-N209 WeakPolarHBondContact CE2-ND2 3.34Å; S207-N209 PolarHBondContact O-N 3.34Å; S207-N209 PolarHBondContact OG-N 3.1Å; S207-N209 VanDerWaalsContact OG-N 3.1Å; S207-N209 PolarHBondContact OG-ND2 2.85Å | ||
| 210 | E | 93.7 | Very high | 94.6 | Very high | 40 Ų | 40 | 58.1 Ų | 58.1 | 19% | 0.187 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.9 | 143.7 | 175.4 | -61.2 | -168.3 | 154.1 | 0 | 0 | 111.4 | R198 A199 H206 Y212 R260 | R198-E210 VanDerWaalsContact CD-CD 3.45Å; R198-E210 WeakPolarHBondContact CD-OE1 3.35Å; R198-E210 IonicContact CZ-OE1 3.17Å; R198-E210 IonicContact NE-OE1 3.37Å; R198-E210 IonicContact NH1-OE1 3.33Å; R198-E210 PolarHBondContact NH1-OE1 3.36Å; A199-E210 CarbonylContact O-C 3.58Å; A199-E210 WeakPolarHBondContact O-CA 3.22Å; H206-E210 IonicContact CE1-OE1 3.93Å; H206-E210 PolarHBondContact CE1-OE1 3.02Å; H206-E210 IonicContact ND1-OE1 3.93Å; E210-Y212 HydrophobicContact CB-CE2 4.34Å; E210-Y212 PolarHBondContact OE2-OH 2.94Å; E210-R260 WeakPolarHBondContact O-CD 3.49Å |
| 211 | I | 95.9 | Very high | 94.8 | Very high | 35 Ų | 35 | 58.6 Ų | 58.6 | 18% | 0.179 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 153.2 | 169.8 | 71.2 | 169.5 | 0 | 0 | 0 | 109.8 | A199 R201 | A199-I211 HydrophobicContact CB-CG1 4.11Å; A199-I211 PolarHBondContact N-O 2.81Å; A199-I211 PolarHBondContact O-N 3.18Å; R201-I211 HydrophobicContact CB-CG2 4.13Å |
| 212 | Y | 97.1 | Very high | 94.9 | Very high | 17 Ų | 17 | 62.2 Ų | 62.2 | 7% | 0.067 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 113.2 | -179.8 | -66.9 | -94.5 | 0 | 0 | 0 | 108 | G197 R198 E210 R240 N258 A259 R260 | G197-Y212 WeakPolarHBondContact O-CA 3.45Å; R198-Y212 HydrophobicContact CB-CE1 4.15Å; E210-Y212 HydrophobicContact CB-CE2 4.34Å; E210-Y212 PolarHBondContact OE2-OH 2.94Å; Y212-R240 HydrophobicContact CD1-CB 4.26Å; Y212-R240 HydrophobicContact CD1-CG 4.42Å; Y212-R240 HydrophobicContact CE1-CB 4.11Å; Y212-R240 HydrophobicContact CE1-CG 3.83Å; Y212-N258 WeakPolarHBondContact CD2-OD1 3.28Å; Y212-N258 HydrophobicContact CG-CB 4.48Å; Y212-A259 HydrophobicContact CE2-CB 4.2Å; Y212-A259 WeakPolarHBondContact OH-CB 3.34Å; Y212-R260 HydrophobicContact CD2-CG 4.21Å; Y212-R260 HydrophobicContact CE2-CG 4.04Å |
| 213 | C | 94.6 | Very high | 95.1 | Very high | 17 Ų | 17 | 58.2 Ų | 58.2 | 12% | 0.115 | 28% | 0.28 | C | S | . | . | trans | -72 | 134.6 | -174.1 | -72.4 | 0 | 0 | 0 | 0 | 110.8 | G196 G197 | G196-C213 WeakPolarHBondContact CA-O 3.39Å; G196-C213 PolarHBondContact N-O 3.18Å; G196-C213 WeakPolarHBondContact O-CB 3.2Å; G197-C213 PolarHBondContact O-N 2.83Å; G197-C213 VanDerWaalsContact O-N 3.08Å | ||
| 214 | N | 94.4 | Very high | 95.3 | Very high | 39 Ų | 39 | 60.1 Ų | 60.1 | 21% | 0.209 | 29% | 0.286 | C | S | . | . | trans | -127.2 | 6 | -178.1 | 50.3 | 13 | 0 | 0 | 0 | 113.6 | F195 V234 P236 | F195-N214 WeakPolarHBondContact CE2-O 3.45Å; N214-V234 HydrophobicContact CB-CG1 4.18Å; N214-V234 WeakPolarHBondContact ND2-CG1 3.3Å; N214-V234 WeakPolarHBondContact OD1-CG1 3.36Å; N214-P236 WeakPolarHBondContact CB-O 3.28Å | ||
| 215 | R | 94.1 | Very high | 95.5 | Very high | 161 Ų | 161 | 58.9 Ų | 58.9 | 61% | 0.608 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -100.2 | 135.6 | 173.9 | -65 | -173.4 | 178.7 | -163.9 | -0.6 | 110.1 | ||
| 216 | I | 95.4 | Very high | 95.6 | Very high | 5 Ų | 5 | 53.3 Ų | 53.3 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | trans | -66.4 | 133.8 | 168.2 | -76.5 | -75.3 | 0 | 0 | 0 | 108.9 | Y193 V194 F195 V218 L251 F271 F276 W278 | Y193-I216 HydrophobicContact CD1-CG2 4.03Å; V194-I216 WeakPolarHBondContact O-CA 3.42Å; F195-I216 HydrophobicContact CB-CD1 3.72Å; F195-I216 HydrophobicContact CD2-CD1 3.95Å; F195-I216 HydrophobicContact CD2-CG1 4.12Å; F195-I216 HydrophobicContact CG-CD1 4.24Å; I216-V218 HydrophobicContact CG2-CG2 3.83Å; I216-L251 HydrophobicContact CD1-CD2 3.64Å; I216-F271 HydrophobicContact CB-CZ 4.42Å; I216-F271 HydrophobicContact CG1-CD2 4.28Å; I216-F271 HydrophobicContact CG1-CE2 4.19Å; I216-F271 HydrophobicContact CG1-CG 4.48Å; I216-F271 HydrophobicContact CG1-CZ 4.31Å; I216-F271 HydrophobicContact CG2-CE1 4.22Å; I216-F271 HydrophobicContact CG2-CZ 4.05Å; I216-F276 HydrophobicContact CB-CZ 4.35Å; I216-F276 HydrophobicContact CG2-CE2 4.19Å; I216-F276 HydrophobicContact CG2-CZ 3.97Å; I216-W278 HydrophobicContact CD1-CH2 4.41Å; I216-W278 HydrophobicContact CD1-CZ2 3.66Å; I216-W278 HydrophobicContact CG1-CZ2 3.57Å | ||
| 217 | R | 96.9 | Very high | 96 | Very high | 55 Ų | 55 | 51.5 Ų | 51.5 | 21% | 0.208 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 138.9 | 168.6 | -58 | -59 | -57.1 | -82.6 | -13.3 | 108.3 | N175 P176 A177 V194 W226 | N175-R217 PolarHBondContact O-NH2 2.61Å; P176-R217 PolarHBondContact O-NH1 2.87Å; P176-R217 PolarHBondContact O-NH2 3.28Å; P176-R217 VanDerWaalsContact O-NH2 3.1Å; A177-R217 HydrophobicContact CB-CB 3.97Å; A177-R217 HydrophobicContact CB-CG 3.92Å; V194-R217 HydrophobicContact CB-CB 4.33Å; V194-R217 PolarHBondContact N-O 3.09Å; V194-R217 PolarHBondContact O-N 2.86Å; R217-W226 HydrophobicContact CB-CE3 3.96Å; R217-W226 HydrophobicContact CB-CZ3 3.53Å |
| 218 | V | 98.3 | Very high | 96.1 | Very high | 4 Ų | 4 | 56.4 Ų | 56.4 | 2% | 0.024 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 126.6 | -177.1 | -171.7 | 0 | 0 | 0 | 0 | 109.2 | H191 M192 Y193 I216 W226 L227 F276 | H191-V218 HydrophobicContact CB-CG1 3.9Å; M192-V218 WeakPolarHBondContact O-CA 3.37Å; Y193-V218 HydrophobicContact CD1-CG1 4.48Å; Y193-V218 HydrophobicContact CD1-CG2 3.69Å; Y193-V218 HydrophobicContact CE1-CG1 4.13Å; Y193-V218 HydrophobicContact CE1-CG2 3.63Å; I216-V218 HydrophobicContact CG2-CG2 3.83Å; V218-W226 WeakPolarHBondContact O-CA 3.38Å; V218-L227 HydrophobicContact CB-CB 4.38Å; V218-L227 HydrophobicContact CB-CD1 4.41Å; V218-L227 HydrophobicContact CG1-CD1 3.93Å; V218-L227 HydrophobicContact CG1-CG 4.45Å; V218-L227 PolarHBondContact O-N 3.44Å; V218-F276 HydrophobicContact CG2-CE2 4.1Å |
| 219 | F | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 123.4 | 172.2 | 175.1 | -98.8 | 0 | 0 | 0 | 109.1 | I157 I170 T172 H191 M192 T221 E224 W226 | I157-F219 HydrophobicContact CD1-CB 4.28Å; I157-F219 HydrophobicContact CD1-CD1 3.79Å; I157-F219 HydrophobicContact CD1-CD2 3.41Å; I157-F219 VanDerWaalsContact CD1-CD2 3.41Å; I157-F219 HydrophobicContact CD1-CE1 3.88Å; I157-F219 HydrophobicContact CD1-CE2 3.53Å; I157-F219 HydrophobicContact CD1-CG 3.54Å; I157-F219 HydrophobicContact CD1-CZ 3.76Å; I170-F219 HydrophobicContact CD1-CE1 4.29Å; I170-F219 HydrophobicContact CD1-CZ 4.07Å; I170-F219 HydrophobicContact CG2-CZ 4.1Å; T172-F219 HydrophobicContact CG2-CE2 3.84Å; T172-F219 HydrophobicContact CG2-CZ 4.5Å; H191-F219 WeakPolarHBondContact CA-O 3.5Å; M192-F219 HydrophobicContact CB-CB 4.3Å; M192-F219 HydrophobicContact CB-CD1 4.43Å; M192-F219 HydrophobicContact CE-CB 3.82Å; M192-F219 HydrophobicContact CE-CD1 3.92Å; M192-F219 HydrophobicContact CE-CG 4.05Å; M192-F219 PolarHBondContact N-O 3.19Å; M192-F219 PolarHBondContact O-N 3.49Å; F219-T221 HydrophobicContact CD1-CG2 4.27Å; F219-T221 HydrophobicContact CE1-CG2 4.22Å; F219-E224 VanDerWaalsContact CE2-C 3.42Å; F219-E224 HydrophobicContact CZ-CB 4.22Å; F219-W226 HydrophobicContact CB-CD2 4.05Å; F219-W226 HydrophobicContact CB-CE3 3.87Å; F219-W226 HydrophobicContact CB-CH2 4.14Å; F219-W226 HydrophobicContact CB-CZ2 4.34Å; F219-W226 HydrophobicContact CB-CZ3 3.89Å; F219-W226 AromaticContact CD2-CD1 3.99Å; F219-W226 HydrophobicContact CD2-CD2 4.13Å; F219-W226 HydrophobicContact CD2-CG 4.16Å; F219-W226 AromaticContact CD2-NE1 3.94Å |
| 220 | D | 98.4 | Very high | 96.1 | Very high | 20 Ų | 20 | 50.9 Ų | 50.9 | 11% | 0.107 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 117.4 | 172.9 | -177.3 | 0.6 | 0 | 0 | 0 | 109.7 | R222 T223 E224 A225 L227 | D220-R222 PolarHBondContact O-N 3.1Å; D220-R222 WeakPolarHBondContact OD1-CB 3.19Å; D220-R222 PolarHBondContact OD1-N 2.82Å; D220-T223 PolarHBondContact OD2-OG1 3.43Å; D220-E224 VanDerWaalsContact O-CA 3.3Å; D220-E224 WeakPolarHBondContact O-CA 3.24Å; D220-E224 PolarHBondContact O-N 3.47Å; D220-A225 PolarHBondContact N-O 2.84Å; D220-A225 PolarHBondContact O-N 3.48Å; D220-L227 HydrophobicContact CB-CD1 4.33Å; D220-L227 HydrophobicContact CB-CD2 3.99Å; D220-L227 HydrophobicContact CB-CG 4.23Å |
| 221 | T | 98 | Very high | 95.6 | Very high | 12 Ų | 12 | 55.3 Ų | 55.3 | 7% | 0.074 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -21.5 | 179.8 | 59.5 | 0 | 0 | 0 | 0 | 113.3 | L136 Y141 M187 S190 F219 | L136-T221 HydrophobicContact CD2-CG2 4.36Å; L136-T221 WeakPolarHBondContact CD2-OG1 3.4Å; Y141-T221 HydrophobicContact CE1-CG2 3.97Å; Y141-T221 HydrophobicContact CE2-CG2 4.24Å; M187-T221 HydrophobicContact CE-CG2 3.7Å; M187-T221 HydrophobicContact SD-CG2 4.14Å; S190-T221 WeakPolarHBondContact O-CB 3.14Å; S190-T221 WeakPolarHBondContact O-CG2 2.97Å; S190-T221 PolarHBondContact O-N 2.81Å; S190-T221 PolarHBondContact O-OG1 2.83Å; F219-T221 HydrophobicContact CD1-CG2 4.27Å; F219-T221 HydrophobicContact CE1-CG2 4.22Å |
| 222 | R | 97.1 | Very high | 94.7 | Very high | 206 Ų | 206 | 55.2 Ų | 55.2 | 78% | 0.777 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -43.4 | -178.1 | -65.3 | 175.9 | 56.8 | 174.3 | -4.1 | 112.2 | D220 | D220-R222 PolarHBondContact O-N 3.1Å; D220-R222 WeakPolarHBondContact OD1-CB 3.19Å; D220-R222 PolarHBondContact OD1-N 2.82Å |
| 223 | T | 97.4 | Very high | 94 | Very high | 70 Ų | 70 | 58.9 Ų | 58.9 | 43% | 0.429 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -8.3 | 179.9 | 62.4 | 0 | 0 | 0 | 0 | 112.7 | D220 A225 | D220-T223 PolarHBondContact OD2-OG1 3.43Å; T223-A225 PolarHBondContact O-N 2.92Å; T223-A225 WeakPolarHBondContact OG1-CB 3.46Å |
| 224 | E | 97.8 | Very high | 93.4 | Very high | 53 Ų | 53 | 61.2 Ų | 61.2 | 25% | 0.248 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 41.9 | -172.8 | -63.1 | -174.3 | 158.7 | 0 | 0 | 111.9 | K159 I170 T172 K173 F219 D220 | K159-E224 IonicContact NZ-OE1 3.93Å; K159-E224 PolarHBondContact NZ-OE1 2.97Å; I170-E224 HydrophobicContact CG2-CB 3.69Å; I170-E224 HydrophobicContact CG2-CG 3.9Å; T172-E224 WeakPolarHBondContact CA-O 3.44Å; K173-E224 PolarHBondContact N-O 3.23Å; F219-E224 VanDerWaalsContact CE2-C 3.42Å; F219-E224 HydrophobicContact CZ-CB 4.22Å; D220-E224 VanDerWaalsContact O-CA 3.3Å; D220-E224 WeakPolarHBondContact O-CA 3.24Å; D220-E224 PolarHBondContact O-N 3.47Å |
| 225 | A | 98.1 | Very high | 93.1 | Very high | 15 Ų | 15 | 63.5 Ų | 63.5 | 12% | 0.124 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 141.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | K173 D220 T223 | K173-A225 HydrophobicContact CB-CB 3.88Å; K173-A225 WeakPolarHBondContact O-CA 3.17Å; D220-A225 PolarHBondContact N-O 2.84Å; D220-A225 PolarHBondContact O-N 3.48Å; T223-A225 PolarHBondContact O-N 2.92Å; T223-A225 WeakPolarHBondContact OG1-CB 3.46Å |
| 226 | W | 98.5 | Very high | 93.1 | Very high | 6 Ų | 6 | 55.9 Ų | 55.9 | 2% | 0.023 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 128.6 | 163.7 | -70.4 | 92.9 | 0 | 0 | 0 | 109.6 | F143 I157 K173 N175 P176 A177 M192 V194 R217 V218 F219 | F143-W226 HydrophobicContact CD2-CH2 4.35Å; F143-W226 AromaticContact CD2-CZ2 3.97Å; F143-W226 HydrophobicContact CD2-CZ2 3.97Å; F143-W226 HydrophobicContact CE1-CH2 4.32Å; F143-W226 AromaticContact CE2-CH2 3.97Å; F143-W226 HydrophobicContact CE2-CH2 3.97Å; F143-W226 AromaticContact CE2-CZ2 3.54Å; F143-W226 HydrophobicContact CE2-CZ2 3.54Å; F143-W226 AromaticContact CZ-CH2 4Å; F143-W226 HydrophobicContact CZ-CH2 4Å; F143-W226 AromaticContact CZ-CZ2 3.99Å; F143-W226 HydrophobicContact CZ-CZ2 3.99Å; I157-W226 HydrophobicContact CD1-CZ2 3.74Å; I157-W226 HydrophobicContact CG1-CZ2 4.35Å; K173-W226 PolarHBondContact O-N 3Å; N175-W226 WeakPolarHBondContact O-CB 3.5Å; P176-W226 VanDerWaalsContact CA-CD1 3.43Å; P176-W226 HydrophobicContact CB-CG 4.5Å; A177-W226 HydrophobicContact CB-CE3 4.18Å; A177-W226 HydrophobicContact CB-CH2 3.31Å; A177-W226 HydrophobicContact CB-CZ2 3.66Å; A177-W226 HydrophobicContact CB-CZ3 3.61Å; M192-W226 HydrophobicContact CE-CH2 4.36Å; V194-W226 HydrophobicContact CB-CH2 4.46Å; V194-W226 HydrophobicContact CG2-CH2 3.92Å; V194-W226 HydrophobicContact CG2-CZ3 4.27Å; R217-W226 HydrophobicContact CB-CE3 3.96Å; R217-W226 HydrophobicContact CB-CZ3 3.53Å; V218-W226 WeakPolarHBondContact O-CA 3.38Å; F219-W226 HydrophobicContact CB-CD2 4.05Å; F219-W226 HydrophobicContact CB-CE3 3.87Å; F219-W226 HydrophobicContact CB-CH2 4.14Å; F219-W226 HydrophobicContact CB-CZ2 4.34Å; F219-W226 HydrophobicContact CB-CZ3 3.89Å; F219-W226 AromaticContact CD2-CD1 3.99Å; F219-W226 HydrophobicContact CD2-CD2 4.13Å; F219-W226 HydrophobicContact CD2-CG 4.16Å; F219-W226 AromaticContact CD2-NE1 3.94Å |
| 227 | L | 97.4 | Very high | 93.2 | Very high | 61 Ų | 61 | 59.1 Ų | 59.1 | 32% | 0.319 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 142.7 | -178.4 | -55.2 | -175.3 | 0 | 0 | 0 | 111.1 | V218 D220 C229 | V218-L227 HydrophobicContact CB-CB 4.38Å; V218-L227 HydrophobicContact CB-CD1 4.41Å; V218-L227 HydrophobicContact CG1-CD1 3.93Å; V218-L227 HydrophobicContact CG1-CG 4.45Å; V218-L227 PolarHBondContact O-N 3.44Å; D220-L227 HydrophobicContact CB-CD1 4.33Å; D220-L227 HydrophobicContact CB-CD2 3.99Å; D220-L227 HydrophobicContact CB-CG 4.23Å; L227-C229 PolarHBondContact O-N 2.91Å; L227-C229 PolarHBondContact O-SG 2.88Å |
| 228 | D | 94.8 | Very high | 93.2 | Very high | 137 Ų | 137 | 56.5 Ų | 56.5 | 73% | 0.733 | 31% | 0.309 | S | S | * | . | P | Polyproline II helix | trans | -71.5 | 117.6 | 166.7 | -70.3 | -40.2 | 0 | 0 | 0 | 109.1 | ||
| 229 | C | 91 | Very high | 93.2 | Very high | 42 Ų | 42 | 56.3 Ų | 56.3 | 28% | 0.284 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -95.9 | 140.3 | -173.9 | -67.6 | 0 | 0 | 0 | 0 | 110.3 | L227 F276 | L227-C229 PolarHBondContact O-N 2.91Å; L227-C229 PolarHBondContact O-SG 2.88Å; C229-F276 HydrophobicContact CB-CE1 3.8Å; C229-F276 HydrophobicContact CB-CE2 4.19Å; C229-F276 HydrophobicContact CB-CZ 3.4Å; C229-F276 VanDerWaalsContact CB-CZ 3.4Å |
| 230 | P | 89.6 | Confident | 93.2 | Very high | 74 Ų | 74 | 57 Ų | 57 | 48% | 0.481 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 148.5 | 172 | -24.1 | 32.5 | 0 | 0 | 0 | 111.9 | T232 F276 | P230-T232 PolarHBondContact O-N 2.8Å; P230-F276 HydrophobicContact CB-CD1 3.99Å; P230-F276 HydrophobicContact CG-CB 4.41Å; P230-F276 HydrophobicContact CG-CD1 4.04Å; P230-F276 HydrophobicContact CG-CG 4.16Å; P230-F276 WeakPolarHBondContact O-CE1 3.13Å |
| 231 | P | 83.4 | Confident | 93.2 | Very high | 133 Ų | 133 | 56.5 Ų | 56.5 | 86% | 0.864 | 31% | 0.309 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 123.3 | 171.8 | 26.6 | -32 | 0 | 0 | 0 | 109.7 | ||
| 232 | T | 78.4 | Confident | 93.2 | Very high | 32 Ų | 32 | 56.6 Ų | 56.6 | 20% | 0.196 | 31% | 0.309 | C | S | . | . | trans | -112.7 | 158.6 | 174.2 | 60.4 | 0 | 0 | 0 | 0 | 111.1 | P230 V234 F276 | P230-T232 PolarHBondContact O-N 2.8Å; T232-V234 PolarHBondContact O-N 2.91Å; T232-F276 HydrophobicContact CG2-CD1 3.13Å; T232-F276 HydrophobicContact CG2-CE1 3.39Å; T232-F276 HydrophobicContact CG2-CG 4.28Å; T232-F276 WeakPolarHBondContact CG2-O 3.45Å | ||
| 233 | P | 81.1 | Confident | 93.3 | Very high | 94 Ų | 94 | 47.2 Ų | 47.2 | 61% | 0.61 | 27% | 0.274 | S | S | * | . | trans | -48.9 | 142.8 | 160.1 | -24.7 | 34.5 | 0 | 0 | 0 | 110.5 | L235 | P233-L235 PolarHBondContact O-N 2.8Š| ||
| 234 | V | 81.6 | Confident | 93.3 | Very high | 67 Ų | 67 | 45 Ų | 45 | 41% | 0.406 | 26% | 0.263 | S | S | . | . | trans | -84.4 | 57.2 | -177.4 | -165.8 | 0 | 0 | 0 | 0 | 109.5 | N214 T232 | N214-V234 HydrophobicContact CB-CG1 4.18Å; N214-V234 WeakPolarHBondContact ND2-CG1 3.3Å; N214-V234 WeakPolarHBondContact OD1-CG1 3.36Å; T232-V234 PolarHBondContact O-N 2.91Å | ||
| 235 | L | 88 | Confident | 93.3 | Very high | 87 Ų | 87 | 43.1 Ų | 43.1 | 46% | 0.455 | 25% | 0.254 | S | S | . | . | trans | -134.8 | 141.7 | 176 | -68.5 | 173.8 | 0 | 0 | 0 | 107.5 | P233 W269 W278 | P233-L235 PolarHBondContact O-N 2.8Å; L235-W269 HydrophobicContact CB-CH2 4.11Å; L235-W269 HydrophobicContact CB-CZ3 4.25Å; L235-W269 HydrophobicContact CD1-CH2 4.39Å; L235-W278 VanDerWaalsContact O-CG 3.26Å | ||
| 236 | P | 95.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | S | Bend | cis | -71.8 | 163.1 | 1.6 | 18.5 | -22.2 | 0 | 0 | 0 | 114.9 | F195 N214 I253 W269 W278 | F195-P236 HydrophobicContact CE1-CG 4.23Å; F195-P236 HydrophobicContact CE2-CG 3.98Å; F195-P236 HydrophobicContact CZ-CB 4.3Å; F195-P236 HydrophobicContact CZ-CG 3.58Å; N214-P236 WeakPolarHBondContact CB-O 3.28Å; P236-I253 HydrophobicContact CB-CD1 4.15Å; P236-I253 HydrophobicContact CG-CD1 3.36Å; P236-I253 HydrophobicContact CG-CG1 4.3Å; P236-W269 HydrophobicContact CB-CD2 3.74Å; P236-W269 HydrophobicContact CB-CE3 4.38Å; P236-W269 HydrophobicContact CB-CG 3.77Å; P236-W269 HydrophobicContact CB-CZ2 4.28Å; P236-W269 HydrophobicContact CG-CB 4.08Å; P236-W269 HydrophobicContact CG-CD2 4.05Å; P236-W269 HydrophobicContact CG-CG 3.84Å; P236-W278 VanDerWaalsContact CD-CE2 3.41Å; P236-W278 VanDerWaalsContact CD-CG 3.49Å; P236-W278 HydrophobicContact CG-CD2 4.11Å; P236-W278 HydrophobicContact CG-CE3 4.13Å; P236-W278 HydrophobicContact CG-CH2 4.31Å; P236-W278 HydrophobicContact CG-CZ2 4.26Å; P236-W278 HydrophobicContact CG-CZ3 4.24Å |
| 237 | E | 97.3 | Very high | 93.2 | Very high | 73 Ų | 73 | 44.6 Ų | 44.6 | 34% | 0.341 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 145.5 | 175.3 | -170.9 | 55.5 | -113.1 | 0 | 0 | 112 | R239 L261 F265 | E237-R239 PolarHBondContact O-NE 3.11Å; E237-L261 HydrophobicContact CG-CD1 3.54Å; E237-F265 HydrophobicContact CB-CE1 4.07Å; E237-F265 HydrophobicContact CB-CZ 3.98Å; E237-F265 HydrophobicContact CG-CE1 4.22Å; E237-F265 HydrophobicContact CG-CZ 3.77Å |
| 238 | G | 97.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 138.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | N258 | G238-N258 WeakPolarHBondContact O-CB 3.39Å; G238-N258 PolarHBondContact O-ND2 3.03Å |
| 239 | R | 98.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | trans | -158.7 | 156 | -173.9 | 61.3 | -170.2 | 72.5 | -164.7 | 1 | 112 | F195 G196 G197 E237 H242 G255 Y257 F265 D267 | F195-R239 HydrophobicContact CE1-CG 3.97Å; G196-R239 CarbonylContact C-O 3.56Å; G196-R239 VanDerWaalsContact CA-O 3.22Å; G196-R239 WeakPolarHBondContact CA-O 3.04Å; G197-R239 PolarHBondContact N-O 2.81Å; E237-R239 PolarHBondContact O-NE 3.11Å; R239-H242 HydrophobicContact CG-CB 4.21Å; R239-G255 WeakPolarHBondContact CD-O 3.32Å; R239-G255 PolarHBondContact NH1-O 3.3Å; R239-Y257 WeakPolarHBondContact CA-O 3.13Å; R239-F265 HydrophobicContact CB-CD2 4.04Å; R239-F265 HydrophobicContact CB-CE2 3.86Å; R239-F265 VanDerWaalsContact NH1-CB 3.32Å; R239-D267 IonicContact CZ-OD1 2.74Å; R239-D267 IonicContact CZ-OD2 2.88Å; R239-D267 IonicContact NH1-OD1 2.89Å; R239-D267 PolarHBondContact NH1-OD1 3.14Å; R239-D267 IonicContact NH1-OD2 3.69Å; R239-D267 IonicContact NH2-OD1 3.74Å; R239-D267 PolarHBondContact NH2-OD1 3.18Å; R239-D267 IonicContact NH2-OD2 3.7Å; R239-D267 PolarHBondContact NH2-OD2 3.08Å | ||
| 240 | R | 98.1 | Very high | 93.5 | Very high | 15 Ų | 15 | 42.9 Ų | 42.9 | 6% | 0.057 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -115.9 | 163.2 | 169.8 | 75.4 | 177 | 170.6 | 120.8 | -3.7 | 111 | F182 R198 Y212 H242 G256 Y257 E320 | F182-R240 HydrophobicContact CB-CB 3.86Å; F182-R240 HydrophobicContact CB-CG 4.41Å; F182-R240 CarbonylContact O-C 3.6Å; F182-R240 WeakPolarHBondContact O-CA 3.3Å; R198-R240 HydrophobicContact CB-CB 4.33Å; Y212-R240 HydrophobicContact CD1-CB 4.26Å; Y212-R240 HydrophobicContact CD1-CG 4.42Å; Y212-R240 HydrophobicContact CE1-CB 4.11Å; Y212-R240 HydrophobicContact CE1-CG 3.83Å; R240-H242 PolarHBondContact O-N 2.89Å; R240-H242 VanDerWaalsContact O-N 3.1Å; R240-G256 CarbonylContact O-C 3.55Å; R240-G256 VanDerWaalsContact O-CA 3.28Å; R240-G256 WeakPolarHBondContact O-CA 3.39Å; R240-Y257 PolarHBondContact N-O 2.81Å; R240-Y257 PolarHBondContact O-N 3Å; R240-E320 IonicContact NH2-OE1 3.8Å |
| 241 | S | 98.1 | Very high | 93.9 | Very high | 9 Ų | 9 | 39.4 Ų | 39.4 | 6% | 0.063 | 24% | 0.241 | C | C | . | . | S | Bend | trans | 54.4 | 30.3 | 174 | -54.4 | 0 | 0 | 0 | 0 | 113.5 | F182 R293 | F182-S241 PolarHBondContact O-N 3.03Å; S241-R293 VanDerWaalsContact CB-CG 3.49Å; S241-R293 PolarHBondContact O-N 3.17Å |
| 242 | H | 98.6 | Very high | 94.7 | Very high | 15 Ų | 15 | 33.7 Ų | 33.7 | 7% | 0.069 | 20% | 0.203 | C | C | . | . | trans | -80.1 | 162.6 | 165.7 | 62.6 | -75.3 | 0 | 0 | 0 | 109.5 | S184 F195 R239 R240 F254 G255 | S184-H242 VanDerWaalsContact CB-NE2 3.34Å; S184-H242 WeakPolarHBondContact CB-NE2 3.2Å; S184-H242 PolarHBondContact OG-NE2 3.09Å; F195-H242 AromaticContact CD1-CE1 3.87Å; F195-H242 AromaticContact CD1-NE2 3.63Å; F195-H242 PolarHBondContact O-CE1 2.98Å; R239-H242 HydrophobicContact CG-CB 4.21Å; R240-H242 PolarHBondContact O-N 2.89Å; R240-H242 VanDerWaalsContact O-N 3.1Å; H242-F254 WeakPolarHBondContact CB-O 3.42Å; H242-G255 VanDerWaalsContact CB-O 3.27Å; H242-G255 WeakPolarHBondContact CB-O 3.22Å | ||
| 243 | S | 98.1 | Very high | 95.6 | Very high | 8 Ų | 8 | 32.2 Ų | 32.2 | 6% | 0.056 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 149 | 169.6 | -39.6 | 0 | 0 | 0 | 0 | 109.7 | I253 F254 Q294 C296 | S243-I253 CarbonylContact O-C 3.59Å; S243-I253 VanDerWaalsContact O-CA 3.26Å; S243-I253 WeakPolarHBondContact O-CA 3.41Å; S243-F254 PolarHBondContact N-O 3.36Å; S243-F254 PolarHBondContact O-N 3.4Å; S243-Q294 VanDerWaalsContact OG-CG 3.31Å; S243-Q294 WeakPolarHBondContact OG-CG 3.17Å; S243-Q294 PolarHBondContact OG-NE2 2.78Å; S243-Q294 PolarHBondContact OG-O 3.39Å; S243-C296 WeakPolarHBondContact CB-SG 3.2Å |
| 244 | A | 98.3 | Very high | 96.5 | Very high | 24 Ų | 24 | 28 Ų | 28 | 20% | 0.198 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 148 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | S184 L251 Y252 I253 | S184-A244 VanDerWaalsContact CB-CB 3.41Å; S184-A244 WeakPolarHBondContact OG-CB 3.46Å; A244-L251 HydrophobicContact CB-CD1 4.2Å; A244-Y252 CarbonylContact C-O 3.59Å; A244-Y252 WeakPolarHBondContact CA-O 3.35Å; A244-I253 HydrophobicContact CB-CG2 3.92Å |
| 245 | F | 97.8 | Very high | 97.3 | Very high | 14 Ų | 14 | 24.8 Ų | 24.8 | 6% | 0.061 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 152.5 | -179.6 | 59.8 | -90 | 0 | 0 | 0 | 111.3 | Y252 L268 C296 I298 I303 F334 | F245-Y252 HydrophobicContact CD2-CD2 4.26Å; F245-Y252 HydrophobicContact CD2-CG 4.29Å; F245-Y252 HydrophobicContact CE2-CD1 4.28Å; F245-Y252 AromaticContact CE2-CD2 3.78Å; F245-Y252 HydrophobicContact CE2-CD2 3.78Å; F245-Y252 AromaticContact CE2-CG 3.57Å; F245-Y252 HydrophobicContact CE2-CG 3.57Å; F245-Y252 HydrophobicContact CZ-CD1 4.19Å; F245-Y252 HydrophobicContact CZ-CD2 4.43Å; F245-Y252 AromaticContact CZ-CG 3.75Å; F245-Y252 HydrophobicContact CZ-CG 3.75Å; F245-Y252 PolarHBondContact N-O 2.88Å; F245-Y252 PolarHBondContact O-N 3.37Å; F245-L268 HydrophobicContact CZ-CD1 4.35Å; F245-C296 HydrophobicContact CD1-CB 4.46Å; F245-C296 VanDerWaalsContact CD1-SG 3.55Å; F245-I298 HydrophobicContact CB-CD1 3.97Å; F245-I298 HydrophobicContact CB-CG1 4.27Å; F245-I298 HydrophobicContact CD2-CD1 4Å; F245-I298 HydrophobicContact CD2-CG1 4.14Å; F245-I298 HydrophobicContact CG-CD1 4.4Å; F245-I298 HydrophobicContact CG-CG1 4.46Å; F245-I303 HydrophobicContact CD1-CD1 4.29Å; F245-I303 HydrophobicContact CD2-CD1 3.45Å; F245-I303 VanDerWaalsContact CD2-CD1 3.45Å; F245-I303 HydrophobicContact CD2-CG1 4.29Å; F245-I303 HydrophobicContact CE1-CD1 4.18Å; F245-I303 HydrophobicContact CE1-CG1 4.13Å; F245-I303 HydrophobicContact CE1-CG2 4.3Å; F245-I303 HydrophobicContact CE2-CD1 3.32Å; F245-I303 HydrophobicContact CE2-CG1 3.69Å; F245-I303 HydrophobicContact CG-CD1 3.94Å; F245-I303 HydrophobicContact CZ-CD1 3.71Å; F245-I303 HydrophobicContact CZ-CG1 3.59Å; F245-F334 HydrophobicContact CE2-CE2 4.06Å; F245-F334 AromaticContact CE2-CZ 3.87Å; F245-F334 HydrophobicContact CE2-CZ 3.87Å; F245-F334 HydrophobicContact CZ-CZ 4.26Å |
| 246 | G | 97.5 | Very high | 97.7 | Very high | 26 Ų | 26 | 20.7 Ų | 20.7 | 27% | 0.268 | 13% | 0.125 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 125.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | E250 I298 | G246-E250 CarbonylContact C-O 3.55Å; G246-E250 WeakPolarHBondContact CA-O 3.26Å; G246-I298 WeakPolarHBondContact O-CD1 3.37Å |
| 247 | Y | 96.9 | Very high | 97.8 | Very high | 25 Ų | 25 | 21.1 Ų | 21.1 | 10% | 0.098 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 129 | 177.1 | -179.1 | -104.6 | 0 | 0 | 0 | 110.1 | G249 E250 Y252 D301 F334 | Y247-G249 VanDerWaalsContact C-N 3.26Å; Y247-G249 PolarHBondContact O-N 3.28Å; Y247-E250 PolarHBondContact N-O 3.48Å; Y247-E250 PolarHBondContact O-N 3Å; Y247-Y252 HydrophobicContact CD1-CE2 4.39Å; Y247-D301 WeakPolarHBondContact CE2-OD1 3.26Å; Y247-D301 PolarHBondContact OH-OD1 2.85Å; Y247-F334 AromaticContact CD1-CD1 3.68Å; Y247-F334 HydrophobicContact CD1-CD1 3.68Å; Y247-F334 AromaticContact CD1-CD2 3.98Å; Y247-F334 HydrophobicContact CD1-CD2 3.98Å; Y247-F334 AromaticContact CD1-CE1 3.69Å; Y247-F334 HydrophobicContact CD1-CE1 3.69Å; Y247-F334 AromaticContact CD1-CE2 3.95Å; Y247-F334 HydrophobicContact CD1-CE2 3.95Å; Y247-F334 AromaticContact CD1-CG 3.85Å; Y247-F334 HydrophobicContact CD1-CG 3.85Å; Y247-F334 AromaticContact CD1-CZ 3.83Å; Y247-F334 HydrophobicContact CD1-CZ 3.83Å; Y247-F334 HydrophobicContact CD2-CD2 4.48Å; Y247-F334 HydrophobicContact CE1-CB 3.75Å; Y247-F334 AromaticContact CE1-CD1 3.46Å; Y247-F334 HydrophobicContact CE1-CD1 3.46Å; Y247-F334 VanDerWaalsContact CE1-CD1 3.46Å; Y247-F334 AromaticContact CE1-CD2 3.82Å; Y247-F334 HydrophobicContact CE1-CD2 3.82Å; Y247-F334 AromaticContact CE1-CE1 3.99Å; Y247-F334 HydrophobicContact CE1-CE1 3.99Å; Y247-F334 HydrophobicContact CE1-CE2 4.27Å; Y247-F334 AromaticContact CE1-CG 3.38Å; Y247-F334 HydrophobicContact CE1-CG 3.38Å; Y247-F334 HydrophobicContact CE1-CZ 4.37Å; Y247-F334 HydrophobicContact CE2-CD2 4.36Å; Y247-F334 HydrophobicContact CG-CD2 4.31Å; Y247-F334 HydrophobicContact CG-CE2 4.08Å; Y247-F334 HydrophobicContact CG-CZ 4.22Å; Y247-F334 AromaticContact CZ-CG 3.82Å |
| 248 | N | 95.4 | Very high | 97.8 | Very high | 124 Ų | 124 | 18 Ų | 18 | 66% | 0.663 | 11% | 0.112 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 42.5 | -177.5 | -68.4 | -13.6 | 0 | 0 | 0 | 114.4 | E250 | N248-E250 PolarHBondContact O-N 3.07Š|
| 249 | G | 96.8 | Very high | 97.7 | Very high | 50 Ų | 50 | 19.6 Ų | 19.6 | 52% | 0.515 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 4.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y247 P273 | Y247-G249 VanDerWaalsContact C-N 3.26Å; Y247-G249 PolarHBondContact O-N 3.28Å; G249-P273 WeakPolarHBondContact O-CD 3.35Å; G249-P273 WeakPolarHBondContact O-CG 3.09Å |
| 250 | E | 97.8 | Very high | 97.5 | Very high | 31 Ų | 31 | 27.7 Ų | 27.7 | 15% | 0.145 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 150.1 | 177.2 | -62.4 | -177.6 | 116.9 | 0 | 0 | 110.4 | G246 Y247 N248 Y252 K270 N272 | G246-E250 CarbonylContact C-O 3.55Å; G246-E250 WeakPolarHBondContact CA-O 3.26Å; Y247-E250 PolarHBondContact N-O 3.48Å; Y247-E250 PolarHBondContact O-N 3Å; N248-E250 PolarHBondContact O-N 3.07Å; E250-Y252 HydrophobicContact CB-CE2 4.02Å; E250-K270 HydrophobicContact CB-CD 4.34Å; E250-K270 HydrophobicContact CB-CG 4.09Å; E250-K270 WeakPolarHBondContact OE1-CE 3.27Å; E250-K270 IonicContact OE1-NZ 3.41Å; E250-K270 PolarHBondContact OE1-NZ 2.82Å; E250-K270 VanDerWaalsContact OE2-CD 3.24Å; E250-K270 WeakPolarHBondContact OE2-CD 3.43Å; E250-K270 WeakPolarHBondContact OE2-CE 3.26Å; E250-K270 IonicContact OE2-NZ 3.49Å; E250-K270 PolarHBondContact OE2-NZ 3.01Å; E250-N272 PolarHBondContact OE1-ND2 3.17Å; E250-N272 VanDerWaalsContact OE1-ND2 3.15Å |
| 251 | L | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 135.9 | 176.1 | 164.8 | 67.8 | 0 | 0 | 0 | 109.3 | T186 L188 I216 A244 K270 F271 W278 | T186-L251 HydrophobicContact CG2-CD1 3.93Å; T186-L251 WeakPolarHBondContact OG1-CD1 3.44Å; L188-L251 HydrophobicContact CD1-CB 4.02Å; I216-L251 HydrophobicContact CD1-CD2 3.64Å; A244-L251 HydrophobicContact CB-CD1 4.2Å; L251-K270 CarbonylContact O-C 3.59Å; L251-K270 WeakPolarHBondContact O-CA 3.49Å; L251-F271 HydrophobicContact CB-CB 4.09Å; L251-F271 HydrophobicContact CB-CD1 4.31Å; L251-F271 HydrophobicContact CD2-CB 4.36Å; L251-F271 HydrophobicContact CD2-CD1 4.38Å; L251-F271 HydrophobicContact CG-CB 4.41Å; L251-F271 PolarHBondContact N-O 3.33Å; L251-F271 PolarHBondContact O-N 2.83Å; L251-W278 HydrophobicContact CD2-CH2 4.19Å; L251-W278 HydrophobicContact CG-CH2 4.47Å |
| 252 | Y | 98.5 | Very high | 97 | Very high | 14 Ų | 14 | 36.4 Ų | 36.4 | 6% | 0.055 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 147.2 | 172.9 | -69.7 | -103.4 | 0 | 0 | 0 | 110.7 | A244 F245 Y247 E250 L268 W269 K270 I281 F334 | A244-Y252 CarbonylContact C-O 3.59Å; A244-Y252 WeakPolarHBondContact CA-O 3.35Å; F245-Y252 HydrophobicContact CD2-CD2 4.26Å; F245-Y252 HydrophobicContact CD2-CG 4.29Å; F245-Y252 HydrophobicContact CE2-CD1 4.28Å; F245-Y252 AromaticContact CE2-CD2 3.78Å; F245-Y252 HydrophobicContact CE2-CD2 3.78Å; F245-Y252 AromaticContact CE2-CG 3.57Å; F245-Y252 HydrophobicContact CE2-CG 3.57Å; F245-Y252 HydrophobicContact CZ-CD1 4.19Å; F245-Y252 HydrophobicContact CZ-CD2 4.43Å; F245-Y252 AromaticContact CZ-CG 3.75Å; F245-Y252 HydrophobicContact CZ-CG 3.75Å; F245-Y252 PolarHBondContact N-O 2.88Å; F245-Y252 PolarHBondContact O-N 3.37Å; Y247-Y252 HydrophobicContact CD1-CE2 4.39Å; E250-Y252 HydrophobicContact CB-CE2 4.02Å; Y252-L268 HydrophobicContact CD1-CD1 4.08Å; Y252-L268 HydrophobicContact CD1-CG 4.35Å; Y252-W269 CarbonylContact C-O 3.59Å; Y252-W269 WeakPolarHBondContact CA-O 3.42Å; Y252-K270 HydrophobicContact CD1-CB 3.99Å; Y252-K270 HydrophobicContact CD1-CG 4.17Å; Y252-K270 HydrophobicContact CD2-CG 4.42Å; Y252-K270 HydrophobicContact CE1-CB 3.75Å; Y252-K270 HydrophobicContact CE1-CD 3.7Å; Y252-K270 HydrophobicContact CE1-CG 3.69Å; Y252-K270 HydrophobicContact CE2-CD 4.07Å; Y252-K270 HydrophobicContact CE2-CG 3.94Å; Y252-K270 WeakPolarHBondContact OH-CD 2.99Å; Y252-I281 HydrophobicContact CE1-CG1 4.47Å; Y252-F334 HydrophobicContact CD1-CZ 4.32Å; Y252-F334 AromaticContact CE1-CE1 3.74Å; Y252-F334 HydrophobicContact CE1-CE1 3.74Å; Y252-F334 AromaticContact CE1-CZ 3.93Å; Y252-F334 HydrophobicContact CE1-CZ 3.93Å; Y252-F334 HydrophobicContact CE2-CE1 4.29Å; Y252-F334 HydrophobicContact CE2-CZ 4.28Å; Y252-F334 AromaticContact CZ-CE1 3.58Å; Y252-F334 AromaticContact CZ-CZ 3.9Å; Y252-F334 WeakPolarHBondContact OH-CE1 3.38Å |
| 253 | I | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 147 | 168.8 | 67.2 | 166.9 | 0 | 0 | 0 | 110.9 | F195 P236 S243 A244 L268 W269 W278 | F195-I253 HydrophobicContact CD1-CD1 3.61Å; F195-I253 HydrophobicContact CD1-CG2 4.12Å; F195-I253 HydrophobicContact CE1-CD1 3.23Å; F195-I253 HydrophobicContact CG-CD1 4.49Å; F195-I253 HydrophobicContact CZ-CD1 3.83Å; P236-I253 HydrophobicContact CB-CD1 4.15Å; P236-I253 HydrophobicContact CG-CD1 3.36Å; P236-I253 HydrophobicContact CG-CG1 4.3Å; S243-I253 CarbonylContact O-C 3.59Å; S243-I253 VanDerWaalsContact O-CA 3.26Å; S243-I253 WeakPolarHBondContact O-CA 3.41Å; A244-I253 HydrophobicContact CB-CG2 3.92Å; I253-L268 WeakPolarHBondContact O-CA 3.41Å; I253-L268 WeakPolarHBondContact O-CD1 3.44Å; I253-W269 HydrophobicContact CD1-CB 4.35Å; I253-W269 HydrophobicContact CG1-CB 3.77Å; I253-W269 PolarHBondContact N-O 2.97Å; I253-W269 PolarHBondContact O-N 3.14Å; I253-W278 HydrophobicContact CD1-CH2 4.05Å; I253-W278 HydrophobicContact CD1-CZ3 4.27Å; I253-W278 HydrophobicContact CG1-CH2 4.04Å; I253-W278 HydrophobicContact CG1-CZ3 3.94Å; I253-W278 HydrophobicContact CG2-CH2 3.94Å; I253-W278 HydrophobicContact CG2-CZ3 4.44Å |
| 254 | F | 98.7 | Very high | 96.8 | Very high | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 137.4 | 177 | 179.8 | -88.5 | 0 | 0 | 0 | 112 | W4 H242 S243 H266 D267 L268 P288 R291 Q294 L305 | W4-F254 HydrophobicContact CZ2-CD2 4.42Å; W4-F254 AromaticContact CZ2-CE2 3.99Å; W4-F254 HydrophobicContact CZ2-CE2 3.99Å; H242-F254 WeakPolarHBondContact CB-O 3.42Å; S243-F254 PolarHBondContact N-O 3.36Å; S243-F254 PolarHBondContact O-N 3.4Å; F254-H266 WeakPolarHBondContact CE2-O 3.31Å; F254-H266 HydrophobicContact CZ-CB 4.32Å; F254-D267 WeakPolarHBondContact CA-O 3.23Å; F254-L268 HydrophobicContact CB-CD1 4.24Å; F254-L268 HydrophobicContact CD2-CB 4.33Å; F254-L268 HydrophobicContact CD2-CD1 4.48Å; F254-P288 HydrophobicContact CE1-CB 4.19Å; F254-P288 HydrophobicContact CE1-CG 4.06Å; F254-P288 HydrophobicContact CE2-CG 4.48Å; F254-P288 HydrophobicContact CZ-CB 3.88Å; F254-P288 HydrophobicContact CZ-CG 3.65Å; F254-R291 HydrophobicContact CE1-CG 4.45Å; F254-Q294 PolarHBondContact O-NE2 2.9Å; F254-Q294 VanDerWaalsContact O-NE2 3.13Å; F254-L305 HydrophobicContact CD1-CD1 3.33Å; F254-L305 HydrophobicContact CE1-CD1 3.52Å; F254-L305 HydrophobicContact CG-CD1 3.99Å; F254-L305 HydrophobicContact CZ-CD1 4.3Å |
| 255 | G | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | 67.9 | -150.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | R239 H242 F265 D267 | R239-G255 WeakPolarHBondContact CD-O 3.32Å; R239-G255 PolarHBondContact NH1-O 3.3Å; H242-G255 VanDerWaalsContact CB-O 3.27Å; H242-G255 WeakPolarHBondContact CB-O 3.22Å; G255-F265 VanDerWaalsContact CA-O 3.24Å; G255-F265 WeakPolarHBondContact CA-O 3.19Å; G255-D267 PolarHBondContact N-O 2.89Å | ||
| 256 | G | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | 104.5 | -176.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R240 H264 F265 R291 | R240-G256 CarbonylContact O-C 3.55Å; R240-G256 VanDerWaalsContact O-CA 3.28Å; R240-G256 WeakPolarHBondContact O-CA 3.39Å; G256-H264 WeakPolarHBondContact O-CA 3.14Å; G256-F265 WeakPolarHBondContact O-CD2 3.43Å; G256-F265 PolarHBondContact O-N 2.9Å; G256-R291 PolarHBondContact N-O 2.8Å | ||
| 257 | Y | 97.8 | Very high | 96.8 | Very high | 10 Ų | 10 | 46.4 Ų | 46.4 | 4% | 0.039 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 147.6 | -178.2 | 177.9 | -110.3 | 0 | 0 | 0 | 112.6 | R239 R240 A259 N262 R263 H264 R292 | R239-Y257 WeakPolarHBondContact CA-O 3.13Å; R240-Y257 PolarHBondContact N-O 2.81Å; R240-Y257 PolarHBondContact O-N 3Å; Y257-A259 HydrophobicContact CD1-CB 4.4Å; Y257-A259 VanDerWaalsContact CE1-CA 3.43Å; Y257-A259 HydrophobicContact CE1-CB 3.6Å; Y257-N262 PolarHBondContact OH-OD1 2.82Å; Y257-R263 WeakPolarHBondContact CA-O 3.24Å; Y257-R263 VanDerWaalsContact CD2-C 3.45Å; Y257-R263 WeakPolarHBondContact CD2-O 3.47Å; Y257-H264 AromaticContact CD2-CD2 3.8Å; Y257-H264 AromaticContact CD2-CE1 3.3Å; Y257-H264 WeakPolarHBondContact CD2-CE1 3.28Å; Y257-H264 AromaticContact CD2-CG 3.67Å; Y257-H264 AromaticContact CD2-ND1 3.36Å; Y257-H264 WeakPolarHBondContact CD2-ND1 3.12Å; Y257-H264 AromaticContact CD2-NE2 3.56Å; Y257-H264 AromaticContact CE2-CE1 3.42Å; Y257-H264 VanDerWaalsContact CE2-CE1 3.42Å; Y257-H264 WeakPolarHBondContact CE2-CE1 3.46Å; Y257-H264 AromaticContact CE2-ND1 3.55Å; Y257-R292 VanDerWaalsContact CB-CD 3.45Å |
| 258 | N | 97.3 | Very high | 96.9 | Very high | 6 Ų | 6 | 45.5 Ų | 45.5 | 3% | 0.032 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 111.4 | 170.7 | -176.9 | -32.5 | 0 | 0 | 0 | 109 | Y212 G238 R260 L261 N262 R263 F265 | Y212-N258 WeakPolarHBondContact CD2-OD1 3.28Å; Y212-N258 HydrophobicContact CG-CB 4.48Å; G238-N258 WeakPolarHBondContact O-CB 3.39Å; G238-N258 PolarHBondContact O-ND2 3.03Å; N258-R260 VanDerWaalsContact C-N 3.33Å; N258-R260 PolarHBondContact O-N 3.09Å; N258-R260 WeakPolarHBondContact OD1-CB 3.29Å; N258-R260 PolarHBondContact OD1-N 2.88Å; N258-L261 HydrophobicContact CB-CB 4.33Å; N258-L261 HydrophobicContact CB-CD1 4.35Å; N258-L261 HydrophobicContact CB-CG 4.41Å; N258-L261 PolarHBondContact O-N 2.91Å; N258-L261 PolarHBondContact OD1-N 2.77Å; N258-N262 WeakPolarHBondContact O-CA 3.42Å; N258-N262 PolarHBondContact O-N 3.1Å; N258-R263 PolarHBondContact N-O 2.98Å; N258-R263 PolarHBondContact O-N 2.85Å; N258-F265 HydrophobicContact CB-CE2 3.78Å; N258-F265 HydrophobicContact CB-CZ 4.1Å |
| 259 | A | 94 | Very high | 97 | Very high | 34 Ų | 34 | 40.9 Ų | 40.9 | 28% | 0.281 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -67.3 | -33.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y212 Y257 L261 N262 | Y212-A259 HydrophobicContact CE2-CB 4.2Å; Y212-A259 WeakPolarHBondContact OH-CB 3.34Å; Y257-A259 HydrophobicContact CD1-CB 4.4Å; Y257-A259 VanDerWaalsContact CE1-CA 3.43Å; Y257-A259 HydrophobicContact CE1-CB 3.6Å; A259-L261 PolarHBondContact O-N 3.5Å; A259-N262 PolarHBondContact O-N 3.05Å |
| 260 | R | 93.8 | Very high | 97 | Very high | 170 Ų | 170 | 40.5 Ų | 40.5 | 64% | 0.642 | 19% | 0.186 | S | C | * | . | G | 310 helix | trans | -65.7 | -27.3 | 178.6 | -66.3 | -171.3 | 67.1 | -157.4 | -3.2 | 113 | E210 Y212 N258 | E210-R260 WeakPolarHBondContact O-CD 3.49Å; Y212-R260 HydrophobicContact CD2-CG 4.21Å; Y212-R260 HydrophobicContact CE2-CG 4.04Å; N258-R260 VanDerWaalsContact C-N 3.33Å; N258-R260 PolarHBondContact O-N 3.09Å; N258-R260 WeakPolarHBondContact OD1-CB 3.29Å; N258-R260 PolarHBondContact OD1-N 2.88Å |
| 261 | L | 94.2 | Very high | 97 | Very high | 88 Ų | 88 | 39 Ų | 39 | 46% | 0.461 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -98.4 | -2.2 | 175.7 | -57.4 | -179.5 | 0 | 0 | 0 | 112.3 | E237 N258 A259 R263 | E237-L261 HydrophobicContact CG-CD1 3.54Å; N258-L261 HydrophobicContact CB-CB 4.33Å; N258-L261 HydrophobicContact CB-CD1 4.35Å; N258-L261 HydrophobicContact CB-CG 4.41Å; N258-L261 PolarHBondContact O-N 2.91Å; N258-L261 PolarHBondContact OD1-N 2.77Å; A259-L261 PolarHBondContact O-N 3.5Å; L261-R263 HydrophobicContact CB-CB 3.94Å; L261-R263 PolarHBondContact O-N 2.91Å; L261-R263 VanDerWaalsContact O-N 3.17Å |
| 262 | N | 92.3 | Very high | 97 | Very high | 119 Ų | 119 | 41.1 Ų | 41.1 | 64% | 0.636 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 39.7 | 47.1 | -165.3 | -165.9 | 22 | 0 | 0 | 0 | 113.3 | Y257 N258 A259 | Y257-N262 PolarHBondContact OH-OD1 2.82Å; N258-N262 WeakPolarHBondContact O-CA 3.42Å; N258-N262 PolarHBondContact O-N 3.1Å; A259-N262 PolarHBondContact O-N 3.05Å |
| 263 | R | 95.3 | Very high | 96.9 | Very high | 141 Ų | 141 | 41.8 Ų | 41.8 | 53% | 0.532 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 122.3 | -168.2 | -173.5 | 173.7 | -179.7 | -177.5 | 3.1 | 112.3 | Y257 N258 L261 F265 | Y257-R263 WeakPolarHBondContact CA-O 3.24Å; Y257-R263 VanDerWaalsContact CD2-C 3.45Å; Y257-R263 WeakPolarHBondContact CD2-O 3.47Å; N258-R263 PolarHBondContact N-O 2.98Å; N258-R263 PolarHBondContact O-N 2.85Å; L261-R263 HydrophobicContact CB-CB 3.94Å; L261-R263 PolarHBondContact O-N 2.91Å; L261-R263 VanDerWaalsContact O-N 3.17Å; R263-F265 HydrophobicContact CB-CZ 4.39Å; R263-F265 HydrophobicContact CG-CD1 4.32Å; R263-F265 HydrophobicContact CG-CE1 4.03Å; R263-F265 HydrophobicContact CG-CZ 4.24Å |
| 264 | H | 97 | Very high | 96.7 | Very high | 21 Ų | 21 | 48.6 Ų | 48.6 | 10% | 0.097 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 141.3 | 162.9 | -69.3 | 80.1 | 0 | 0 | 0 | 109.7 | G256 Y257 P290 P311 | G256-H264 WeakPolarHBondContact O-CA 3.14Å; Y257-H264 AromaticContact CD2-CD2 3.8Å; Y257-H264 AromaticContact CD2-CE1 3.3Å; Y257-H264 WeakPolarHBondContact CD2-CE1 3.28Å; Y257-H264 AromaticContact CD2-CG 3.67Å; Y257-H264 AromaticContact CD2-ND1 3.36Å; Y257-H264 WeakPolarHBondContact CD2-ND1 3.12Å; Y257-H264 AromaticContact CD2-NE2 3.56Å; Y257-H264 AromaticContact CE2-CE1 3.42Å; Y257-H264 VanDerWaalsContact CE2-CE1 3.42Å; Y257-H264 WeakPolarHBondContact CE2-CE1 3.46Å; Y257-H264 AromaticContact CE2-ND1 3.55Å; H264-P290 HydrophobicContact CB-CB 3.75Å; H264-P311 HydrophobicContact CB-CG 4.49Å; H264-P311 WeakPolarHBondContact ND1-CD 3.33Å; H264-P311 VanDerWaalsContact ND1-CG 3.3Å; H264-P311 WeakPolarHBondContact ND1-CG 3.39Å |
| 265 | F | 98.1 | Very high | 96.4 | Very high | 5 Ų | 5 | 51.4 Ų | 51.4 | 2% | 0.022 | 26% | 0.258 | C | S | . | . | trans | -109.2 | 155.8 | -177.9 | -60.3 | -80.7 | 0 | 0 | 0 | 111.4 | E237 R239 G255 G256 N258 R263 D267 P290 R291 | E237-F265 HydrophobicContact CB-CE1 4.07Å; E237-F265 HydrophobicContact CB-CZ 3.98Å; E237-F265 HydrophobicContact CG-CE1 4.22Å; E237-F265 HydrophobicContact CG-CZ 3.77Å; R239-F265 HydrophobicContact CB-CD2 4.04Å; R239-F265 HydrophobicContact CB-CE2 3.86Å; R239-F265 VanDerWaalsContact NH1-CB 3.32Å; G255-F265 VanDerWaalsContact CA-O 3.24Å; G255-F265 WeakPolarHBondContact CA-O 3.19Å; G256-F265 WeakPolarHBondContact O-CD2 3.43Å; G256-F265 PolarHBondContact O-N 2.9Å; N258-F265 HydrophobicContact CB-CE2 3.78Å; N258-F265 HydrophobicContact CB-CZ 4.1Å; R263-F265 HydrophobicContact CB-CZ 4.39Å; R263-F265 HydrophobicContact CG-CD1 4.32Å; R263-F265 HydrophobicContact CG-CE1 4.03Å; R263-F265 HydrophobicContact CG-CZ 4.24Å; F265-D267 WeakPolarHBondContact CB-OD1 3.24Å; F265-P290 CarbonylContact O-C 3.54Å; F265-P290 VanDerWaalsContact O-CA 3.27Å; F265-P290 WeakPolarHBondContact O-CA 3.42Å; F265-R291 PolarHBondContact O-N 2.99Å | ||
| 266 | H | 97.4 | Very high | 96.3 | Very high | 107 Ų | 107 | 52.6 Ų | 52.6 | 50% | 0.495 | 26% | 0.263 | S | S | . | . | trans | -138.9 | 8.9 | 171.1 | 65 | -80.4 | 0 | 0 | 0 | 111.6 | F254 P290 | F254-H266 WeakPolarHBondContact CE2-O 3.31Å; F254-H266 HydrophobicContact CZ-CB 4.32Å; H266-P290 HydrophobicContact CB-CB 4.38Å; H266-P290 HydrophobicContact CB-CG 4.26Å | ||
| 267 | D | 98.1 | Very high | 96.1 | Very high | 24 Ų | 24 | 55.9 Ų | 55.9 | 13% | 0.128 | 28% | 0.283 | C | S | . | . | trans | -74.2 | 144 | 180 | 52.3 | -7.6 | 0 | 0 | 0 | 110.5 | R239 F254 G255 F265 W269 | R239-D267 IonicContact CZ-OD1 2.74Å; R239-D267 IonicContact CZ-OD2 2.88Å; R239-D267 IonicContact NH1-OD1 2.89Å; R239-D267 PolarHBondContact NH1-OD1 3.14Å; R239-D267 IonicContact NH1-OD2 3.69Å; R239-D267 IonicContact NH2-OD1 3.74Å; R239-D267 PolarHBondContact NH2-OD1 3.18Å; R239-D267 IonicContact NH2-OD2 3.7Å; R239-D267 PolarHBondContact NH2-OD2 3.08Å; F254-D267 WeakPolarHBondContact CA-O 3.23Å; G255-D267 PolarHBondContact N-O 2.89Å; F265-D267 WeakPolarHBondContact CB-OD1 3.24Å; D267-W269 PolarHBondContact OD2-NE1 3.06Å | ||
| 268 | L | 98.4 | Very high | 96.1 | Very high | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 124.9 | 172.1 | -178.8 | 65.1 | 0 | 0 | 0 | 108.2 | L2 F245 Y252 I253 F254 I281 P283 L332 | L2-L268 HydrophobicContact CD2-CD2 4.13Å; F245-L268 HydrophobicContact CZ-CD1 4.35Å; Y252-L268 HydrophobicContact CD1-CD1 4.08Å; Y252-L268 HydrophobicContact CD1-CG 4.35Å; I253-L268 WeakPolarHBondContact O-CA 3.41Å; I253-L268 WeakPolarHBondContact O-CD1 3.44Å; F254-L268 HydrophobicContact CB-CD1 4.24Å; F254-L268 HydrophobicContact CD2-CB 4.33Å; F254-L268 HydrophobicContact CD2-CD1 4.48Å; L268-I281 HydrophobicContact CB-CB 4.34Å; L268-I281 HydrophobicContact CD2-CB 4.01Å; L268-I281 HydrophobicContact CD2-CG2 3.91Å; L268-I281 HydrophobicContact CG-CB 4.07Å; L268-I281 PolarHBondContact O-N 2.89Å; L268-P283 HydrophobicContact CD2-CG 3.66Å; L268-L332 HydrophobicContact CD2-CD2 3.71Å |
| 269 | W | 98.3 | Very high | 96 | Very high | 28 Ų | 28 | 63.2 Ų | 63.2 | 11% | 0.106 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 147 | 175.7 | -70.1 | 84 | 0 | 0 | 0 | 110.4 | L235 P236 Y252 I253 D267 W278 K280 | L235-W269 HydrophobicContact CB-CH2 4.11Å; L235-W269 HydrophobicContact CB-CZ3 4.25Å; L235-W269 HydrophobicContact CD1-CH2 4.39Å; P236-W269 HydrophobicContact CB-CD2 3.74Å; P236-W269 HydrophobicContact CB-CE3 4.38Å; P236-W269 HydrophobicContact CB-CG 3.77Å; P236-W269 HydrophobicContact CB-CZ2 4.28Å; P236-W269 HydrophobicContact CG-CB 4.08Å; P236-W269 HydrophobicContact CG-CD2 4.05Å; P236-W269 HydrophobicContact CG-CG 3.84Å; Y252-W269 CarbonylContact C-O 3.59Å; Y252-W269 WeakPolarHBondContact CA-O 3.42Å; I253-W269 HydrophobicContact CD1-CB 4.35Å; I253-W269 HydrophobicContact CG1-CB 3.77Å; I253-W269 PolarHBondContact N-O 2.97Å; I253-W269 PolarHBondContact O-N 3.14Å; D267-W269 PolarHBondContact OD2-NE1 3.06Å; W269-W278 HydrophobicContact CB-CE3 3.68Å; W269-W278 HydrophobicContact CB-CZ3 3.74Å; W269-W278 HydrophobicContact CE3-CB 4.08Å; W269-W278 HydrophobicContact CZ3-CB 4.37Å; W269-K280 HydrophobicContact CD2-CB 4.06Å; W269-K280 HydrophobicContact CD2-CG 4.26Å; W269-K280 HydrophobicContact CE3-CB 3.89Å; W269-K280 HydrophobicContact CH2-CB 3.82Å; W269-K280 HydrophobicContact CH2-CG 4.37Å; W269-K280 HydrophobicContact CZ2-CB 3.97Å; W269-K280 HydrophobicContact CZ2-CD 4.09Å; W269-K280 HydrophobicContact CZ2-CG 4.01Å; W269-K280 HydrophobicContact CZ3-CB 3.77Å |
| 270 | K | 97.6 | Very high | 96.2 | Very high | 42 Ų | 42 | 66.5 Ų | 66.5 | 18% | 0.183 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 129.4 | 176.3 | -174.7 | 179.2 | 85.6 | 146.7 | 0 | 109.8 | E250 L251 Y252 W278 K279 I281 | E250-K270 HydrophobicContact CB-CD 4.34Å; E250-K270 HydrophobicContact CB-CG 4.09Å; E250-K270 WeakPolarHBondContact OE1-CE 3.27Å; E250-K270 IonicContact OE1-NZ 3.41Å; E250-K270 PolarHBondContact OE1-NZ 2.82Å; E250-K270 VanDerWaalsContact OE2-CD 3.24Å; E250-K270 WeakPolarHBondContact OE2-CD 3.43Å; E250-K270 WeakPolarHBondContact OE2-CE 3.26Å; E250-K270 IonicContact OE2-NZ 3.49Å; E250-K270 PolarHBondContact OE2-NZ 3.01Å; L251-K270 CarbonylContact O-C 3.59Å; L251-K270 WeakPolarHBondContact O-CA 3.49Å; Y252-K270 HydrophobicContact CD1-CB 3.99Å; Y252-K270 HydrophobicContact CD1-CG 4.17Å; Y252-K270 HydrophobicContact CD2-CG 4.42Å; Y252-K270 HydrophobicContact CE1-CB 3.75Å; Y252-K270 HydrophobicContact CE1-CD 3.7Å; Y252-K270 HydrophobicContact CE1-CG 3.69Å; Y252-K270 HydrophobicContact CE2-CD 4.07Å; Y252-K270 HydrophobicContact CE2-CG 3.94Å; Y252-K270 WeakPolarHBondContact OH-CD 2.99Å; K270-W278 VanDerWaalsContact C-CE3 3.46Å; K270-W278 CarbonylContact O-C 3.5Å; K270-W278 WeakPolarHBondContact O-CA 3.29Å; K270-K279 PolarHBondContact N-O 3.13Å; K270-K279 PolarHBondContact O-N 2.73Å; K270-I281 HydrophobicContact CB-CD1 3.96Å; K270-I281 HydrophobicContact CB-CG1 3.71Å; K270-I281 HydrophobicContact CD-CD1 4.34Å |
| 271 | F | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 127.7 | 174.8 | 178.6 | -105.1 | 0 | 0 | 0 | 109.6 | Y193 I216 L251 P273 F276 W278 | Y193-F271 HydrophobicContact CD1-CD1 4.41Å; Y193-F271 AromaticContact CD1-CE1 3.87Å; Y193-F271 HydrophobicContact CD1-CE1 3.87Å; Y193-F271 AromaticContact CE1-CE1 3.87Å; Y193-F271 HydrophobicContact CE1-CE1 3.87Å; I216-F271 HydrophobicContact CB-CZ 4.42Å; I216-F271 HydrophobicContact CG1-CD2 4.28Å; I216-F271 HydrophobicContact CG1-CE2 4.19Å; I216-F271 HydrophobicContact CG1-CG 4.48Å; I216-F271 HydrophobicContact CG1-CZ 4.31Å; I216-F271 HydrophobicContact CG2-CE1 4.22Å; I216-F271 HydrophobicContact CG2-CZ 4.05Å; L251-F271 HydrophobicContact CB-CB 4.09Å; L251-F271 HydrophobicContact CB-CD1 4.31Å; L251-F271 HydrophobicContact CD2-CB 4.36Å; L251-F271 HydrophobicContact CD2-CD1 4.38Å; L251-F271 HydrophobicContact CG-CB 4.41Å; L251-F271 PolarHBondContact N-O 3.33Å; L251-F271 PolarHBondContact O-N 2.83Å; F271-P273 HydrophobicContact CD1-CG 4.26Å; F271-P273 HydrophobicContact CE1-CB 4.3Å; F271-P273 HydrophobicContact CE1-CG 4.29Å; F271-P273 WeakPolarHBondContact O-CD 3.06Å; F271-F276 HydrophobicContact CE1-CD2 4.4Å; F271-F276 HydrophobicContact CE1-CE2 4.43Å; F271-F276 HydrophobicContact CE2-CD2 4.34Å; F271-F276 HydrophobicContact CE2-CG 4.31Å; F271-F276 HydrophobicContact CZ-CB 4.5Å; F271-F276 HydrophobicContact CZ-CD1 4.44Å; F271-F276 AromaticContact CZ-CD2 3.52Å; F271-F276 HydrophobicContact CZ-CD2 3.52Å; F271-F276 AromaticContact CZ-CE2 3.62Å; F271-F276 HydrophobicContact CZ-CE2 3.62Å; F271-F276 AromaticContact CZ-CG 3.91Å; F271-F276 HydrophobicContact CZ-CG 3.91Å; F271-F276 HydrophobicContact CZ-CZ 4.08Å; F271-W278 HydrophobicContact CB-CD2 3.68Å; F271-W278 HydrophobicContact CB-CE3 3.53Å; F271-W278 HydrophobicContact CB-CH2 3.7Å; F271-W278 HydrophobicContact CB-CZ2 3.86Å; F271-W278 HydrophobicContact CB-CZ3 3.52Å; F271-W278 AromaticContact CD2-CD1 3.75Å; F271-W278 AromaticContact CD2-CD2 3.8Å; F271-W278 HydrophobicContact CD2-CD2 3.8Å; F271-W278 AromaticContact CD2-CE2 3.62Å; F271-W278 AromaticContact CD2-CG 3.93Å; F271-W278 HydrophobicContact CD2-CG 3.93Å; F271-W278 HydrophobicContact CD2-CZ2 4.24Å; F271-W278 AromaticContact CD2-NE1 3.55Å; F271-W278 HydrophobicContact CG-CD2 4.2Å; F271-W278 HydrophobicContact CG-CZ2 4.22Å |
| 272 | N | 96.7 | Very high | 96.5 | Very high | 44 Ų | 44 | 62.9 Ų | 62.9 | 24% | 0.235 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 115.3 | 173.6 | -174.4 | -61.6 | 0 | 0 | 0 | 109.2 | E250 V274 S275 F276 T277 | E250-N272 PolarHBondContact OE1-ND2 3.17Å; E250-N272 VanDerWaalsContact OE1-ND2 3.15Å; N272-V274 VanDerWaalsContact C-N 3.29Å; N272-V274 PolarHBondContact O-N 3.41Å; N272-V274 WeakPolarHBondContact OD1-CA 3.34Å; N272-V274 WeakPolarHBondContact OD1-CB 3.49Å; N272-V274 PolarHBondContact OD1-N 3.13Å; N272-S275 WeakPolarHBondContact CB-OG 3.48Å; N272-S275 PolarHBondContact OD1-N 2.79Å; N272-S275 PolarHBondContact OD1-OG 2.95Å; N272-F276 WeakPolarHBondContact O-CA 3.38Å; N272-F276 PolarHBondContact O-N 3.04Å; N272-T277 PolarHBondContact N-O 3.21Å; N272-T277 PolarHBondContact O-N 3.38Å |
| 273 | P | 96 | Very high | 96.7 | Very high | 28 Ų | 28 | 58.7 Ų | 58.7 | 18% | 0.182 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -22.3 | -178.5 | -22.7 | 34.7 | 0 | 0 | 0 | 115.2 | L188 Y193 G249 F271 | L188-P273 HydrophobicContact CD1-CG 3.79Å; Y193-P273 HydrophobicContact CE1-CB 3.97Å; Y193-P273 HydrophobicContact CE1-CG 4.3Å; Y193-P273 WeakPolarHBondContact OH-CB 3.45Å; G249-P273 WeakPolarHBondContact O-CD 3.35Å; G249-P273 WeakPolarHBondContact O-CG 3.09Å; F271-P273 HydrophobicContact CD1-CG 4.26Å; F271-P273 HydrophobicContact CE1-CB 4.3Å; F271-P273 HydrophobicContact CE1-CG 4.29Å; F271-P273 WeakPolarHBondContact O-CD 3.06Å |
| 274 | V | 94.5 | Very high | 96.8 | Very high | 142 Ų | 142 | 56.6 Ų | 56.6 | 86% | 0.861 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -50.8 | -178.5 | -179.8 | 0 | 0 | 0 | 0 | 110.7 | N272 F276 | N272-V274 VanDerWaalsContact C-N 3.29Å; N272-V274 PolarHBondContact O-N 3.41Å; N272-V274 WeakPolarHBondContact OD1-CA 3.34Å; N272-V274 WeakPolarHBondContact OD1-CB 3.49Å; N272-V274 PolarHBondContact OD1-N 3.13Å; V274-F276 VanDerWaalsContact C-N 3.29Å |
| 275 | S | 94.2 | Very high | 96.6 | Very high | 66 Ų | 66 | 57.6 Ų | 57.6 | 46% | 0.462 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -11.9 | 175.9 | 63.5 | 0 | 0 | 0 | 0 | 112.9 | N272 T277 | N272-S275 WeakPolarHBondContact CB-OG 3.48Å; N272-S275 PolarHBondContact OD1-N 2.79Å; N272-S275 PolarHBondContact OD1-OG 2.95Å; S275-T277 VanDerWaalsContact C-N 3.3Å; S275-T277 WeakPolarHBondContact O-CG2 3.18Å; S275-T277 PolarHBondContact O-N 3.14Å; S275-T277 PolarHBondContact OG-OG1 2.87Å |
| 276 | F | 94.6 | Very high | 96.4 | Very high | 24 Ų | 24 | 65.4 Ų | 65.4 | 11% | 0.105 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 40 | -177.1 | -151.4 | -100.1 | 0 | 0 | 0 | 112.4 | I216 V218 C229 P230 T232 F271 N272 V274 | I216-F276 HydrophobicContact CB-CZ 4.35Å; I216-F276 HydrophobicContact CG2-CE2 4.19Å; I216-F276 HydrophobicContact CG2-CZ 3.97Å; V218-F276 HydrophobicContact CG2-CE2 4.1Å; C229-F276 HydrophobicContact CB-CE1 3.8Å; C229-F276 HydrophobicContact CB-CE2 4.19Å; C229-F276 HydrophobicContact CB-CZ 3.4Å; C229-F276 VanDerWaalsContact CB-CZ 3.4Å; P230-F276 HydrophobicContact CB-CD1 3.99Å; P230-F276 HydrophobicContact CG-CB 4.41Å; P230-F276 HydrophobicContact CG-CD1 4.04Å; P230-F276 HydrophobicContact CG-CG 4.16Å; P230-F276 WeakPolarHBondContact O-CE1 3.13Å; T232-F276 HydrophobicContact CG2-CD1 3.13Å; T232-F276 HydrophobicContact CG2-CE1 3.39Å; T232-F276 HydrophobicContact CG2-CG 4.28Å; T232-F276 WeakPolarHBondContact CG2-O 3.45Å; F271-F276 HydrophobicContact CE1-CD2 4.4Å; F271-F276 HydrophobicContact CE1-CE2 4.43Å; F271-F276 HydrophobicContact CE2-CD2 4.34Å; F271-F276 HydrophobicContact CE2-CG 4.31Å; F271-F276 HydrophobicContact CZ-CB 4.5Å; F271-F276 HydrophobicContact CZ-CD1 4.44Å; F271-F276 AromaticContact CZ-CD2 3.52Å; F271-F276 HydrophobicContact CZ-CD2 3.52Å; F271-F276 AromaticContact CZ-CE2 3.62Å; F271-F276 HydrophobicContact CZ-CE2 3.62Å; F271-F276 AromaticContact CZ-CG 3.91Å; F271-F276 HydrophobicContact CZ-CG 3.91Å; F271-F276 HydrophobicContact CZ-CZ 4.08Å; N272-F276 WeakPolarHBondContact O-CA 3.38Å; N272-F276 PolarHBondContact O-N 3.04Å; V274-F276 VanDerWaalsContact C-N 3.29Å |
| 277 | T | 95 | Very high | 96.3 | Very high | 69 Ų | 69 | 61.4 Ų | 61.4 | 42% | 0.423 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 145.6 | -175.5 | 56.3 | 0 | 0 | 0 | 0 | 113.1 | N272 S275 | N272-T277 PolarHBondContact N-O 3.21Å; N272-T277 PolarHBondContact O-N 3.38Å; S275-T277 VanDerWaalsContact C-N 3.3Å; S275-T277 WeakPolarHBondContact O-CG2 3.18Å; S275-T277 PolarHBondContact O-N 3.14Å; S275-T277 PolarHBondContact OG-OG1 2.87Å |
| 278 | W | 96.7 | Very high | 96.2 | Very high | 34 Ų | 34 | 60.7 Ų | 60.7 | 13% | 0.129 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 144.6 | 169.7 | -72.8 | 101 | 0 | 0 | 0 | 112.5 | F195 I216 L235 P236 L251 I253 W269 K270 F271 | F195-W278 HydrophobicContact CD2-CH2 4.36Å; F195-W278 AromaticContact CD2-CZ2 3.64Å; F195-W278 HydrophobicContact CD2-CZ2 3.64Å; F195-W278 AromaticContact CE2-CZ2 3.93Å; F195-W278 HydrophobicContact CE2-CZ2 3.93Å; F195-W278 HydrophobicContact CG-CH2 4.47Å; F195-W278 HydrophobicContact CG-CZ2 4.16Å; I216-W278 HydrophobicContact CD1-CH2 4.41Å; I216-W278 HydrophobicContact CD1-CZ2 3.66Å; I216-W278 HydrophobicContact CG1-CZ2 3.57Å; L235-W278 VanDerWaalsContact O-CG 3.26Å; P236-W278 VanDerWaalsContact CD-CE2 3.41Å; P236-W278 VanDerWaalsContact CD-CG 3.49Å; P236-W278 HydrophobicContact CG-CD2 4.11Å; P236-W278 HydrophobicContact CG-CE3 4.13Å; P236-W278 HydrophobicContact CG-CH2 4.31Å; P236-W278 HydrophobicContact CG-CZ2 4.26Å; P236-W278 HydrophobicContact CG-CZ3 4.24Å; L251-W278 HydrophobicContact CD2-CH2 4.19Å; L251-W278 HydrophobicContact CG-CH2 4.47Å; I253-W278 HydrophobicContact CD1-CH2 4.05Å; I253-W278 HydrophobicContact CD1-CZ3 4.27Å; I253-W278 HydrophobicContact CG1-CH2 4.04Å; I253-W278 HydrophobicContact CG1-CZ3 3.94Å; I253-W278 HydrophobicContact CG2-CH2 3.94Å; I253-W278 HydrophobicContact CG2-CZ3 4.44Å; W269-W278 HydrophobicContact CB-CE3 3.68Å; W269-W278 HydrophobicContact CB-CZ3 3.74Å; W269-W278 HydrophobicContact CE3-CB 4.08Å; W269-W278 HydrophobicContact CZ3-CB 4.37Å; K270-W278 VanDerWaalsContact C-CE3 3.46Å; K270-W278 CarbonylContact O-C 3.5Å; K270-W278 WeakPolarHBondContact O-CA 3.29Å; F271-W278 HydrophobicContact CB-CD2 3.68Å; F271-W278 HydrophobicContact CB-CE3 3.53Å; F271-W278 HydrophobicContact CB-CH2 3.7Å; F271-W278 HydrophobicContact CB-CZ2 3.86Å; F271-W278 HydrophobicContact CB-CZ3 3.52Å; F271-W278 AromaticContact CD2-CD1 3.75Å; F271-W278 AromaticContact CD2-CD2 3.8Å; F271-W278 HydrophobicContact CD2-CD2 3.8Å; F271-W278 AromaticContact CD2-CE2 3.62Å; F271-W278 AromaticContact CD2-CG 3.93Å; F271-W278 HydrophobicContact CD2-CG 3.93Å; F271-W278 HydrophobicContact CD2-CZ2 4.24Å; F271-W278 AromaticContact CD2-NE1 3.55Å; F271-W278 HydrophobicContact CG-CD2 4.2Å; F271-W278 HydrophobicContact CG-CZ2 4.22Å |
| 279 | K | 96.5 | Very high | 96.1 | Very high | 136 Ų | 136 | 62.6 Ų | 62.6 | 59% | 0.591 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 126.5 | 171.4 | -177.5 | 175 | -179.7 | 174.2 | 0 | 109.3 | K270 I281 | K270-K279 PolarHBondContact N-O 3.13Å; K270-K279 PolarHBondContact O-N 2.73Å; K279-I281 HydrophobicContact CD-CD1 4.3Å; K279-I281 HydrophobicContact CG-CD1 4.15Å |
| 280 | K | 97.5 | Very high | 96.1 | Very high | 103 Ų | 103 | 63.6 Ų | 63.6 | 45% | 0.448 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 136 | 170.7 | -166.1 | -177 | 177.6 | -155.9 | 0 | 109.2 | W269 E282 | W269-K280 HydrophobicContact CD2-CB 4.06Å; W269-K280 HydrophobicContact CD2-CG 4.26Å; W269-K280 HydrophobicContact CE3-CB 3.89Å; W269-K280 HydrophobicContact CH2-CB 3.82Å; W269-K280 HydrophobicContact CH2-CG 4.37Å; W269-K280 HydrophobicContact CZ2-CB 3.97Å; W269-K280 HydrophobicContact CZ2-CD 4.09Å; W269-K280 HydrophobicContact CZ2-CG 4.01Å; W269-K280 HydrophobicContact CZ3-CB 3.77Å; K280-E282 IonicContact NZ-OE1 3.4Å |
| 281 | I | 97.4 | Very high | 96.1 | Very high | 29 Ų | 29 | 61.8 Ų | 61.8 | 15% | 0.149 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 136.9 | -179.6 | -54.5 | -60.4 | 0 | 0 | 0 | 108.8 | L2 Y252 L268 K270 K279 P283 | L2-I281 HydrophobicContact CD2-CG2 3.3Å; Y252-I281 HydrophobicContact CE1-CG1 4.47Å; L268-I281 HydrophobicContact CB-CB 4.34Å; L268-I281 HydrophobicContact CD2-CB 4.01Å; L268-I281 HydrophobicContact CD2-CG2 3.91Å; L268-I281 HydrophobicContact CG-CB 4.07Å; L268-I281 PolarHBondContact O-N 2.89Å; K270-I281 HydrophobicContact CB-CD1 3.96Å; K270-I281 HydrophobicContact CB-CG1 3.71Å; K270-I281 HydrophobicContact CD-CD1 4.34Å; K279-I281 HydrophobicContact CD-CD1 4.3Å; K279-I281 HydrophobicContact CG-CD1 4.15Å; I281-P283 HydrophobicContact CG2-CG 4.44Å; I281-P283 WeakPolarHBondContact O-CD 3.24Å |
| 282 | E | 96.6 | Very high | 96 | Very high | 154 Ų | 154 | 62.2 Ų | 62.2 | 72% | 0.72 | 34% | 0.337 | S | S | * | . | trans | -119.3 | 88.5 | 178.7 | -62.6 | -170.3 | 162.9 | 0 | 0 | 109 | K280 | K280-E282 IonicContact NZ-OE1 3.4Š| ||
| 283 | P | 96.9 | Very high | 96.1 | Very high | 30 Ų | 30 | 62.2 Ų | 62.2 | 20% | 0.195 | 33% | 0.333 | C | S | . | . | trans | -62.2 | 145.4 | 173.8 | -21.6 | 33.9 | 0 | 0 | 0 | 111.2 | L2 L268 I281 L332 | L2-P283 HydrophobicContact CD2-CB 4.35Å; L2-P283 HydrophobicContact CD2-CG 3.97Å; L2-P283 HydrophobicContact CG-CB 4.2Å; L2-P283 HydrophobicContact CG-CG 4.31Å; L268-P283 HydrophobicContact CD2-CG 3.66Å; I281-P283 HydrophobicContact CG2-CG 4.44Å; I281-P283 WeakPolarHBondContact O-CD 3.24Å; P283-L332 HydrophobicContact CB-CD1 3.7Å; P283-L332 HydrophobicContact CG-CD1 3.91Å | ||
| 284 | K | 96.6 | Very high | 96.2 | Very high | 97 Ų | 97 | 61.3 Ų | 61.3 | 42% | 0.422 | 33% | 0.327 | S | S | . | . | B | Isolated β-bridge | trans | -73.5 | 165.5 | 167.6 | -68.7 | -171.8 | 168 | 171.4 | 0 | 110.8 | M1 L2 R3 W4 | M1-K284 HydrophobicContact CG-CD 4.49Å; M1-K284 HydrophobicContact SD-CD 3.49Å; M1-K284 WeakPolarHBondContact SD-CD 3.2Å; M1-K284 WeakPolarHBondContact SD-CE 2.94Å; M1-K284 HydrophobicContact SD-CG 4.1Å; M1-K284 PolarHBondContact SD-NZ 3.33Å; L2-K284 PolarHBondContact O-N 3.31Å; L2-K284 VanDerWaalsContact O-N 3.14Å; R3-K284 CarbonylContact C-O 3.55Å; R3-K284 VanDerWaalsContact CA-O 3.28Å; R3-K284 WeakPolarHBondContact CA-O 3.34Å; R3-K284 HydrophobicContact CB-CB 4.15Å; R3-K284 HydrophobicContact CG-CB 4.14Å; R3-K284 WeakPolarHBondContact CG-O 3.49Å; W4-K284 PolarHBondContact N-O 2.85Å |
| 285 | G | 93.9 | Very high | 96.3 | Very high | 43 Ų | 43 | 55.4 Ų | 55.4 | 44% | 0.443 | 29% | 0.291 | S | S | . | . | S | Bend | trans | 82.7 | 172.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | G287 | G285-G287 PolarHBondContact O-N 3.06Š|
| 286 | K | 93.3 | Very high | 96.4 | Very high | 168 Ų | 168 | 53.3 Ų | 53.3 | 73% | 0.73 | 28% | 0.277 | S | S | * | . | trans | -81 | 114.1 | 179 | -171.7 | -179.6 | -179.2 | -173.5 | 0 | 109.1 | W4 | W4-K286 WeakPolarHBondContact CB-O 3.36Š| ||
| 287 | G | 95.4 | Very high | 96.5 | Very high | 24 Ų | 24 | 52.5 Ų | 52.5 | 25% | 0.247 | 27% | 0.274 | C | S | . | . | trans | -93.4 | -176.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | W4 G285 | W4-G287 VanDerWaalsContact CD1-CA 3.43Å; G285-G287 PolarHBondContact O-N 3.06Å | ||
| 288 | P | 96.8 | Very high | 96.6 | Very high | 8 Ų | 8 | 51.9 Ų | 51.9 | 5% | 0.052 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 151.4 | 175.8 | -12.3 | 23.8 | 0 | 0 | 0 | 112.1 | W4 F254 L305 H330 | W4-P288 HydrophobicContact CH2-CG 3.89Å; W4-P288 VanDerWaalsContact CZ2-CD 3.49Å; W4-P288 HydrophobicContact CZ2-CG 4.18Å; W4-P288 HydrophobicContact CZ3-CG 4.2Å; F254-P288 HydrophobicContact CE1-CB 4.19Å; F254-P288 HydrophobicContact CE1-CG 4.06Å; F254-P288 HydrophobicContact CE2-CG 4.48Å; F254-P288 HydrophobicContact CZ-CB 3.88Å; F254-P288 HydrophobicContact CZ-CG 3.65Å; P288-L305 HydrophobicContact CB-CD2 4.15Å; P288-L305 HydrophobicContact CG-CD1 4.26Å; P288-L305 HydrophobicContact CG-CD2 3.69Å; P288-H330 HydrophobicContact CG-CB 3.94Å |
| 289 | C | 96 | Very high | 96.6 | Very high | 45 Ų | 45 | 51 Ų | 51 | 30% | 0.304 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 165.7 | 169.7 | 70.1 | 0 | 0 | 0 | 0 | 111.7 | R291 H326 | C289-R291 WeakPolarHBondContact O-CG 3.46Å; C289-R291 PolarHBondContact O-N 2.86Å; C289-R291 PolarHBondContact O-NE 2.8Å; C289-R291 PolarHBondContact SG-NH2 2.91Å; C289-H326 VanDerWaalsContact SG-CE1 3.57Å |
| 290 | P | 97.3 | Very high | 96.5 | Very high | 50 Ų | 50 | 47.5 Ų | 47.5 | 33% | 0.325 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -55 | 123.3 | 172.2 | -19.2 | 28.9 | 0 | 0 | 0 | 112 | H264 F265 H266 S310 | H264-P290 HydrophobicContact CB-CB 3.75Å; F265-P290 CarbonylContact O-C 3.54Å; F265-P290 VanDerWaalsContact O-CA 3.27Å; F265-P290 WeakPolarHBondContact O-CA 3.42Å; H266-P290 HydrophobicContact CB-CB 4.38Å; H266-P290 HydrophobicContact CB-CG 4.26Å; P290-S310 WeakPolarHBondContact O-CB 3.3Å |
| 291 | R | 97.4 | Very high | 96.3 | Very high | 3 Ų | 3 | 46.6 Ų | 46.6 | 1% | 0.011 | 27% | 0.268 | C | S | . | . | trans | -156 | 163.7 | -172.8 | 63.9 | -177.7 | 65.2 | -171.4 | 2.6 | 113.6 | F254 G256 F265 C289 Q294 G307 T309 D328 | F254-R291 HydrophobicContact CE1-CG 4.45Å; G256-R291 PolarHBondContact N-O 2.8Å; F265-R291 PolarHBondContact O-N 2.99Å; C289-R291 WeakPolarHBondContact O-CG 3.46Å; C289-R291 PolarHBondContact O-N 2.86Å; C289-R291 PolarHBondContact O-NE 2.8Å; C289-R291 PolarHBondContact SG-NH2 2.91Å; R291-Q294 HydrophobicContact CG-CG 4.37Å; R291-Q294 PolarHBondContact O-OE1 3.38Å; R291-G307 PolarHBondContact NH1-O 2.96Å; R291-T309 CarbonylContact C-O 3.47Å; R291-T309 WeakPolarHBondContact CA-O 3.19Å; R291-T309 VanDerWaalsContact CB-O 3.24Å; R291-T309 WeakPolarHBondContact CB-O 3.31Å; R291-D328 IonicContact CZ-OD1 3.12Å; R291-D328 IonicContact CZ-OD2 3.62Å; R291-D328 VanDerWaalsContact NH1-CG 3.35Å; R291-D328 IonicContact NH1-OD1 2.65Å; R291-D328 PolarHBondContact NH1-OD1 3Å; R291-D328 IonicContact NH1-OD2 2.75Å; R291-D328 PolarHBondContact NH1-OD2 2.91Å; R291-D328 IonicContact NH2-OD1 3.55Å; R291-D328 IonicContact NH2-OD2 3.53Å; R291-D328 PolarHBondContact NH2-OD2 3.23Å | ||
| 292 | R | 97.4 | Very high | 96.3 | Very high | 9 Ų | 9 | 48.5 Ų | 48.5 | 3% | 0.034 | 28% | 0.275 | C | S | . | . | B | Isolated β-bridge | trans | -130.1 | 162.5 | 175.4 | 68.8 | -176.9 | -172.8 | -176.3 | 3.9 | 111 | Y257 Q294 G308 T309 E320 L323 | Y257-R292 VanDerWaalsContact CB-CD 3.45Å; R292-Q294 PolarHBondContact O-N 2.78Å; R292-Q294 PolarHBondContact O-OE1 3.06Å; R292-G308 CarbonylContact O-C 3.49Å; R292-G308 WeakPolarHBondContact O-CA 3.32Å; R292-T309 VanDerWaalsContact CG-OG1 3.29Å; R292-T309 WeakPolarHBondContact CG-OG1 3.21Å; R292-T309 PolarHBondContact N-O 3.41Å; R292-T309 PolarHBondContact O-N 3.08Å; R292-E320 IonicContact NH1-OE1 3.55Å; R292-E320 IonicContact NH2-OE1 3.61Å; R292-L323 VanDerWaalsContact NH2-CD1 3.3Å |
| 293 | R | 97.6 | Very high | 96.4 | Very high | 44 Ų | 44 | 41.3 Ų | 41.3 | 17% | 0.166 | 24% | 0.242 | C | C | . | . | S | Bend | trans | 62.8 | 22.5 | 172.1 | -60.1 | 171.1 | 169.6 | 176 | -6 | 114.4 | V15 N16 Y32 S241 | V15-R293 HydrophobicContact CG1-CB 3.46Å; V15-R293 VanDerWaalsContact CG1-CB 3.46Å; V15-R293 HydrophobicContact CG1-CG 4.17Å; N16-R293 HydrophobicContact CB-CB 4.1Å; N16-R293 HydrophobicContact CB-CG 4.22Å; N16-R293 PolarHBondContact N-O 3.42Å; Y32-R293 PolarHBondContact OH-NH1 2.66Å; S241-R293 VanDerWaalsContact CB-CG 3.49Å; S241-R293 PolarHBondContact O-N 3.17Å |
| 294 | Q | 97.8 | Very high | 96.4 | Very high | 9 Ų | 9 | 40 Ų | 40 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | trans | -81.8 | 156.4 | 169.7 | 73.2 | -68.2 | -22.8 | 0 | 0 | 111.6 | S243 F254 R291 R292 L305 G307 | S243-Q294 VanDerWaalsContact OG-CG 3.31Å; S243-Q294 WeakPolarHBondContact OG-CG 3.17Å; S243-Q294 PolarHBondContact OG-NE2 2.78Å; S243-Q294 PolarHBondContact OG-O 3.39Å; F254-Q294 PolarHBondContact O-NE2 2.9Å; F254-Q294 VanDerWaalsContact O-NE2 3.13Å; R291-Q294 HydrophobicContact CG-CG 4.37Å; R291-Q294 PolarHBondContact O-OE1 3.38Å; R292-Q294 PolarHBondContact O-N 2.78Å; R292-Q294 PolarHBondContact O-OE1 3.06Å; Q294-L305 HydrophobicContact CG-CD1 4.15Å; Q294-L305 HydrophobicContact CG-CD2 4.2Å; Q294-L305 HydrophobicContact CG-CG 4.11Å; Q294-G307 WeakPolarHBondContact CB-O 3.4Å | ||
| 295 | C | 97.3 | Very high | 96.5 | Very high | 18 Ų | 18 | 35.4 Ų | 35.4 | 12% | 0.122 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 153.2 | 170 | -81.2 | 0 | 0 | 0 | 0 | 111.6 | H17 A19 L305 F306 | H17-C295 PolarHBondContact CD2-SG 2.85Å; H17-C295 VanDerWaalsContact NE2-CB 3.34Å; H17-C295 WeakPolarHBondContact NE2-CB 3.44Å; H17-C295 PolarHBondContact NE2-SG 2.91Å; H17-C295 VanDerWaalsContact NE2-SG 3.45Å; H17-C295 PolarHBondContact O-SG 2.83Å; A19-C295 HydrophobicContact CB-CB 4.08Å; C295-L305 WeakPolarHBondContact O-CA 3.37Å; C295-F306 HydrophobicContact CB-CE1 4.17Å; C295-F306 HydrophobicContact CB-CZ 4.05Å; C295-F306 PolarHBondContact N-O 2.7Å; C295-F306 PolarHBondContact O-N 2.74Å |
| 296 | C | 96.1 | Very high | 96.7 | Very high | 23 Ų | 23 | 33.5 Ų | 33.5 | 16% | 0.155 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 139.6 | 166.1 | 68.4 | 0 | 0 | 0 | 0 | 110.5 | S243 F245 I303 V304 | S243-C296 WeakPolarHBondContact CB-SG 3.2Å; F245-C296 HydrophobicContact CD1-CB 4.46Å; F245-C296 VanDerWaalsContact CD1-SG 3.55Å; C296-I303 HydrophobicContact CB-CG2 3.73Å; C296-V304 CarbonylContact C-O 3.5Å; C296-V304 VanDerWaalsContact CA-O 3.26Å; C296-V304 WeakPolarHBondContact CA-O 3.26Å |
| 297 | C | 97.4 | Very high | 96.9 | Very high | 7 Ų | 7 | 25.5 Ų | 25.5 | 5% | 0.047 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 141 | 174 | -59 | 0 | 0 | 0 | 0 | 110.4 | A21 V26 I303 V304 | A21-C297 HydrophobicContact CB-CB 4.1Å; V26-C297 HydrophobicContact CG1-CB 3.97Å; V26-C297 VanDerWaalsContact CG1-SG 3.59Å; V26-C297 HydrophobicContact CG2-CB 3.93Å; C297-I303 WeakPolarHBondContact O-CA 3.22Å; C297-V304 PolarHBondContact N-O 3.33Å; C297-V304 PolarHBondContact O-N 2.77Å |
| 298 | I | 96.6 | Very high | 97 | Very high | 55 Ų | 55 | 24.3 Ų | 24.3 | 28% | 0.282 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 126.5 | 173.3 | -64.8 | 160.8 | 0 | 0 | 0 | 108.8 | A21 F245 G246 G300 K302 I303 | A21-I298 WeakPolarHBondContact CB-O 3.45Å; F245-I298 HydrophobicContact CB-CD1 3.97Å; F245-I298 HydrophobicContact CB-CG1 4.27Å; F245-I298 HydrophobicContact CD2-CD1 4Å; F245-I298 HydrophobicContact CD2-CG1 4.14Å; F245-I298 HydrophobicContact CG-CD1 4.4Å; F245-I298 HydrophobicContact CG-CG1 4.46Å; G246-I298 WeakPolarHBondContact O-CD1 3.37Å; I298-G300 WeakPolarHBondContact CG2-O 3.34Å; I298-K302 CarbonylContact C-O 3.57Å; I298-K302 WeakPolarHBondContact CA-O 3.13Å; I298-I303 HydrophobicContact CB-CD1 4.28Å; I298-I303 HydrophobicContact CD1-CD1 4.37Å; I298-I303 HydrophobicContact CG1-CD1 3.32Å |
| 299 | V | 96.9 | Very high | 96.9 | Very high | 17 Ų | 17 | 24 Ų | 24 | 10% | 0.103 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 101.3 | 172.6 | -178 | 0 | 0 | 0 | 0 | 108 | A21 V26 A51 D301 K302 V304 | A21-V299 HydrophobicContact CB-CG2 3.98Å; V26-V299 HydrophobicContact CG2-CG2 3.55Å; A51-V299 HydrophobicContact CB-CB 4.46Å; A51-V299 HydrophobicContact CB-CG1 3.76Å; V299-D301 PolarHBondContact O-N 3.05Å; V299-K302 PolarHBondContact N-O 3.47Å; V299-K302 PolarHBondContact O-N 3.01Å; V299-V304 HydrophobicContact CB-CG2 4.49Å; V299-V304 HydrophobicContact CG2-CG2 4.04Å |
| 300 | G | 93.9 | Very high | 96.9 | Very high | 61 Ų | 61 | 22.1 Ų | 22.1 | 63% | 0.629 | 13% | 0.131 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | -126.2 | -168.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | I298 K302 | I298-G300 WeakPolarHBondContact CG2-O 3.34Å; G300-K302 VanDerWaalsContact C-N 3.31Å; G300-K302 PolarHBondContact O-N 3.27Å |
| 301 | D | 93.8 | Very high | 96.6 | Very high | 85 Ų | 85 | 22.7 Ų | 22.7 | 46% | 0.455 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 21.3 | 177.8 | -66.2 | -50.6 | 0 | 0 | 0 | 114.2 | Y247 V299 F334 | Y247-D301 WeakPolarHBondContact CE2-OD1 3.26Å; Y247-D301 PolarHBondContact OH-OD1 2.85Å; V299-D301 PolarHBondContact O-N 3.05Å; D301-F334 PolarHBondContact O-N 3.31Å; D301-F334 VanDerWaalsContact O-N 3.14Å |
| 302 | K | 97.3 | Very high | 95.9 | Very high | 69 Ų | 69 | 24.4 Ų | 24.4 | 30% | 0.3 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 143.6 | -174.6 | -66.9 | 167.9 | -178.3 | -75.7 | 0 | 111.3 | I298 V299 G300 I331 L332 D333 | I298-K302 CarbonylContact C-O 3.57Å; I298-K302 WeakPolarHBondContact CA-O 3.13Å; V299-K302 PolarHBondContact N-O 3.47Å; V299-K302 PolarHBondContact O-N 3.01Å; G300-K302 VanDerWaalsContact C-N 3.31Å; G300-K302 PolarHBondContact O-N 3.27Å; K302-I331 HydrophobicContact CB-CG2 3.86Å; K302-I331 HydrophobicContact CD-CG2 4.02Å; K302-I331 HydrophobicContact CG-CG2 4.05Å; K302-L332 CarbonylContact C-O 3.54Å; K302-L332 VanDerWaalsContact CA-O 3.27Å; K302-L332 WeakPolarHBondContact CA-O 3.43Å; K302-D333 HydrophobicContact CG-CB 4.33Å; K302-D333 IonicContact NZ-OD2 3.58Å; K302-D333 PolarHBondContact NZ-OD2 2.86Å |
| 303 | I | 97.9 | Very high | 94.7 | Very high | 3 Ų | 3 | 29.4 Ų | 29.4 | 2% | 0.015 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 125.1 | 166.7 | -50.7 | -58.9 | 0 | 0 | 0 | 108.6 | F245 C296 C297 I298 I331 L332 F334 | F245-I303 HydrophobicContact CD1-CD1 4.29Å; F245-I303 HydrophobicContact CD2-CD1 3.45Å; F245-I303 VanDerWaalsContact CD2-CD1 3.45Å; F245-I303 HydrophobicContact CD2-CG1 4.29Å; F245-I303 HydrophobicContact CE1-CD1 4.18Å; F245-I303 HydrophobicContact CE1-CG1 4.13Å; F245-I303 HydrophobicContact CE1-CG2 4.3Å; F245-I303 HydrophobicContact CE2-CD1 3.32Å; F245-I303 HydrophobicContact CE2-CG1 3.69Å; F245-I303 HydrophobicContact CG-CD1 3.94Å; F245-I303 HydrophobicContact CZ-CD1 3.71Å; F245-I303 HydrophobicContact CZ-CG1 3.59Å; C296-I303 HydrophobicContact CB-CG2 3.73Å; C297-I303 WeakPolarHBondContact O-CA 3.22Å; I298-I303 HydrophobicContact CB-CD1 4.28Å; I298-I303 HydrophobicContact CD1-CD1 4.37Å; I298-I303 HydrophobicContact CG1-CD1 3.32Å; I303-I331 CarbonylContact O-C 3.56Å; I303-I331 VanDerWaalsContact O-CA 3.26Å; I303-I331 WeakPolarHBondContact O-CA 3.41Å; I303-L332 HydrophobicContact CB-CB 4.08Å; I303-L332 HydrophobicContact CG1-CB 4.43Å; I303-L332 HydrophobicContact CG1-CD2 4.46Å; I303-L332 PolarHBondContact N-O 3.08Å; I303-L332 PolarHBondContact O-N 2.89Å; I303-F334 HydrophobicContact CD1-CE2 4.01Å; I303-F334 HydrophobicContact CG1-CE2 3.68Å |
| 304 | V | 98.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 113.9 | 166.3 | -175.7 | 0 | 0 | 0 | 0 | 107.4 | V26 F49 C296 C297 V299 F306 L329 | V26-V304 HydrophobicContact CG2-CB 4.34Å; V26-V304 HydrophobicContact CG2-CG2 4.33Å; F49-V304 HydrophobicContact CD1-CG1 3.93Å; F49-V304 HydrophobicContact CD1-CG2 4.31Å; F49-V304 HydrophobicContact CE1-CG1 3.91Å; F49-V304 HydrophobicContact CE1-CG2 3.99Å; C296-V304 CarbonylContact C-O 3.5Å; C296-V304 VanDerWaalsContact CA-O 3.26Å; C296-V304 WeakPolarHBondContact CA-O 3.26Å; C297-V304 PolarHBondContact N-O 3.33Å; C297-V304 PolarHBondContact O-N 2.77Å; V299-V304 HydrophobicContact CB-CG2 4.49Å; V299-V304 HydrophobicContact CG2-CG2 4.04Å; V304-F306 HydrophobicContact CG1-CD1 4.1Å; V304-L329 HydrophobicContact CG1-CD1 3.59Å; V304-L329 HydrophobicContact CG1-CG 4.03Å |
| 305 | L | 98.4 | Very high | 90.7 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 131.5 | 177.1 | -178.7 | 153.9 | 0 | 0 | 0 | 109.5 | W4 F254 P288 Q294 C295 L329 H330 | W4-L305 HydrophobicContact CH2-CD1 4.32Å; F254-L305 HydrophobicContact CD1-CD1 3.33Å; F254-L305 HydrophobicContact CE1-CD1 3.52Å; F254-L305 HydrophobicContact CG-CD1 3.99Å; F254-L305 HydrophobicContact CZ-CD1 4.3Å; P288-L305 HydrophobicContact CB-CD2 4.15Å; P288-L305 HydrophobicContact CG-CD1 4.26Å; P288-L305 HydrophobicContact CG-CD2 3.69Å; Q294-L305 HydrophobicContact CG-CD1 4.15Å; Q294-L305 HydrophobicContact CG-CD2 4.2Å; Q294-L305 HydrophobicContact CG-CG 4.11Å; C295-L305 WeakPolarHBondContact O-CA 3.37Å; L305-L329 CarbonylContact O-C 3.55Å; L305-L329 WeakPolarHBondContact O-CA 3.3Å; L305-H330 PolarHBondContact N-O 2.78Å; L305-H330 PolarHBondContact O-N 2.83Å |
| 306 | F | 98.3 | Very high | 88.4 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.009 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 158.3 | -178.4 | 62.3 | -79.8 | 0 | 0 | 0 | 112.4 | P12 H17 A19 V26 W56 C295 V304 D328 L329 | P12-F306 HydrophobicContact CG-CD2 4.35Å; P12-F306 HydrophobicContact CG-CE2 4.47Å; H17-F306 AromaticContact CD2-CE2 3.73Å; H17-F306 AromaticContact NE2-CD2 3.61Å; H17-F306 AromaticContact NE2-CE2 3.09Å; H17-F306 WeakPolarHBondContact NE2-CE2 3.41Å; H17-F306 AromaticContact NE2-CZ 3.67Å; A19-F306 HydrophobicContact CB-CE1 4.36Å; A19-F306 HydrophobicContact CB-CZ 3.77Å; V26-F306 HydrophobicContact CG1-CE1 3.99Å; V26-F306 HydrophobicContact CG1-CZ 4.24Å; W56-F306 HydrophobicContact CH2-CD1 4.15Å; W56-F306 AromaticContact CH2-CD2 3.74Å; W56-F306 HydrophobicContact CH2-CD2 3.74Å; W56-F306 AromaticContact CH2-CE1 3.97Å; W56-F306 HydrophobicContact CH2-CE1 3.97Å; W56-F306 AromaticContact CH2-CE2 3.52Å; W56-F306 HydrophobicContact CH2-CE2 3.52Å; W56-F306 HydrophobicContact CH2-CG 4.05Å; W56-F306 AromaticContact CH2-CZ 3.66Å; W56-F306 HydrophobicContact CH2-CZ 3.66Å; W56-F306 HydrophobicContact CZ2-CB 4.27Å; W56-F306 HydrophobicContact CZ2-CD1 4.04Å; W56-F306 AromaticContact CZ2-CD2 3.7Å; W56-F306 HydrophobicContact CZ2-CD2 3.7Å; W56-F306 HydrophobicContact CZ2-CE1 4.33Å; W56-F306 HydrophobicContact CZ2-CE2 4.01Å; W56-F306 AromaticContact CZ2-CG 3.73Å; W56-F306 HydrophobicContact CZ2-CG 3.73Å; W56-F306 HydrophobicContact CZ2-CZ 4.32Å; W56-F306 HydrophobicContact CZ3-CE2 4.49Å; C295-F306 HydrophobicContact CB-CE1 4.17Å; C295-F306 HydrophobicContact CB-CZ 4.05Å; C295-F306 PolarHBondContact N-O 2.7Å; C295-F306 PolarHBondContact O-N 2.74Å; V304-F306 HydrophobicContact CG1-CD1 4.1Å; F306-D328 WeakPolarHBondContact CA-O 3.22Å; F306-D328 VanDerWaalsContact CB-O 3.29Å; F306-D328 WeakPolarHBondContact CB-O 2.97Å; F306-L329 HydrophobicContact CB-CB 4.26Å |
| 307 | G | 97 | Very high | 85.8 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | trans | 71 | -154.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | R14 R291 Q294 H326 D328 | R14-G307 WeakPolarHBondContact O-CA 3.42Å; R291-G307 PolarHBondContact NH1-O 2.96Å; Q294-G307 WeakPolarHBondContact CB-O 3.4Å; G307-H326 WeakPolarHBondContact CA-O 3.41Å; G307-D328 PolarHBondContact N-O 2.89Å | ||
| 308 | G | 97 | Very high | 83.2 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 34% | 0.338 | C | S | . | . | trans | 82.8 | -176.5 | -175 | 0 | 0 | 0 | 0 | 0 | 113.7 | R14 R292 H326 | R14-G308 PolarHBondContact O-N 3.05Å; R292-G308 CarbonylContact O-C 3.49Å; R292-G308 WeakPolarHBondContact O-CA 3.32Å; G308-H326 PolarHBondContact O-CD2 3.43Å; G308-H326 PolarHBondContact O-N 2.83Å | ||
| 309 | T | 95.8 | Very high | 80.9 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 145.2 | -176.1 | 52.9 | 0 | 0 | 0 | 0 | 112.6 | V15 R291 R292 I324 D325 | V15-T309 HydrophobicContact CB-CG2 4.14Å; V15-T309 HydrophobicContact CG1-CG2 3.56Å; V15-T309 HydrophobicContact CG2-CG2 3.44Å; V15-T309 VanDerWaalsContact CG2-CG2 3.44Å; R291-T309 CarbonylContact C-O 3.47Å; R291-T309 WeakPolarHBondContact CA-O 3.19Å; R291-T309 VanDerWaalsContact CB-O 3.24Å; R291-T309 WeakPolarHBondContact CB-O 3.31Å; R292-T309 VanDerWaalsContact CG-OG1 3.29Å; R292-T309 WeakPolarHBondContact CG-OG1 3.21Å; R292-T309 PolarHBondContact N-O 3.41Å; R292-T309 PolarHBondContact O-N 3.08Å; T309-I324 VanDerWaalsContact CA-O 3.24Å; T309-I324 WeakPolarHBondContact CA-O 3.31Å; T309-D325 WeakPolarHBondContact CG2-OD1 3.39Å |
| 310 | S | 94.8 | Very high | 78.7 | Confident | 7 Ų | 7 | 63.5 Ų | 63.5 | 5% | 0.049 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 164.4 | 167.6 | 70.4 | 0 | 0 | 0 | 0 | 111.1 | P290 L323 I324 H326 | P290-S310 WeakPolarHBondContact O-CB 3.3Å; S310-L323 CarbonylContact O-C 3.6Å; S310-L323 WeakPolarHBondContact O-CA 3.39Å; S310-L323 WeakPolarHBondContact O-CD2 3.47Å; S310-I324 PolarHBondContact N-O 3.19Å; S310-I324 VanDerWaalsContact N-O 3.11Å; S310-I324 PolarHBondContact O-N 3.32Å; S310-I324 WeakPolarHBondContact OG-CD1 3.35Å; S310-I324 WeakPolarHBondContact OG-CG1 3.23Å; S310-H326 WeakPolarHBondContact CB-NE2 3.25Å; S310-H326 PolarHBondContact OG-NE2 2.88Å |
| 311 | P | 90.7 | Very high | 76.9 | Confident | 62 Ų | 62 | 69 Ų | 69 | 40% | 0.403 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.9 | 145 | 164.6 | -23.7 | 35.3 | 0 | 0 | 0 | 111.5 | H264 D322 | H264-P311 HydrophobicContact CB-CG 4.49Å; H264-P311 WeakPolarHBondContact ND1-CD 3.33Å; H264-P311 VanDerWaalsContact ND1-CG 3.3Å; H264-P311 WeakPolarHBondContact ND1-CG 3.39Å; P311-D322 CarbonylContact C-O 3.53Å |
| 312 | S | 83.5 | Confident | 76.1 | Confident | 38 Ų | 38 | 68.2 Ų | 68.2 | 27% | 0.266 | 38% | 0.377 | S | S | . | . | trans | -66.2 | 139.4 | 168.6 | -173.6 | 0 | 0 | 0 | 0 | 110.1 | E314 D322 | S312-E314 VanDerWaalsContact C-N 3.3Å; S312-E314 PolarHBondContact OG-N 3.42Å; S312-D322 WeakPolarHBondContact CB-O 3.15Å; S312-D322 PolarHBondContact N-O 2.86Å | ||
| 313 | P | 71.4 | Confident | 75.7 | Confident | 115 Ų | 115 | 66.6 Ų | 66.6 | 75% | 0.747 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -73.8 | -19.2 | 171.1 | -14.5 | 29.4 | 0 | 0 | 0 | 113.9 | ||
| 314 | E | 65.1 | Low | 75.5 | Confident | 164 Ų | 164 | 69.3 Ų | 69.3 | 77% | 0.766 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -82.7 | 123.4 | 179.9 | -65.5 | -177.3 | -177.7 | 0 | 0 | 109.1 | S312 G316 | S312-E314 VanDerWaalsContact C-N 3.3Å; S312-E314 PolarHBondContact OG-N 3.42Å; E314-G316 VanDerWaalsContact C-N 3.29Å; E314-G316 PolarHBondContact O-N 3.06Å |
| 315 | E | 47.7 | Very low | 75.2 | Confident | 206 Ų | 206 | 70.1 Ų | 70.1 | 96% | 0.963 | 39% | 0.39 | S | S | * | . | trans | -66.5 | 84 | 179.3 | -70.4 | -174.7 | 164.7 | 0 | 0 | 110.8 | ||||
| 316 | G | 48 | Very low | 75.1 | Confident | 40 Ų | 40 | 71.2 Ų | 71.2 | 41% | 0.412 | 40% | 0.395 | S | S | . | . | trans | -95.4 | 158.1 | 157.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | E314 G318 D322 | E314-G316 VanDerWaalsContact C-N 3.29Å; E314-G316 PolarHBondContact O-N 3.06Å; G316-G318 PolarHBondContact O-N 3.43Å; G316-D322 VanDerWaalsContact CA-OD2 3.26Å; G316-D322 WeakPolarHBondContact CA-OD2 3.48Å | ||
| 317 | L | 42.3 | Very low | 75 | Confident | 171 Ų | 171 | 71.9 Ų | 71.9 | 90% | 0.895 | 40% | 0.4 | S | S | * | . | trans | -58.7 | 90.3 | -172.9 | -73.9 | 144.9 | 0 | 0 | 0 | 112.7 | D319 | L317-D319 PolarHBondContact O-N 2.83Š| ||
| 318 | G | 42.5 | Very low | 74.9 | Confident | 76 Ų | 76 | 72.1 Ų | 72.1 | 78% | 0.784 | 40% | 0.402 | S | S | * | . | S | Bend | trans | 56.1 | 5.4 | 132.8 | 0 | 0 | 0 | 0 | 0 | 121.3 | G316 | G316-G318 PolarHBondContact O-N 3.43Š|
| 319 | D | 47.9 | Very low | 75 | Confident | 120 Ų | 120 | 72.2 Ų | 72.2 | 64% | 0.642 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -113.3 | 162.8 | -177.8 | -77.6 | -22.6 | 0 | 0 | 0 | 112.7 | L317 F321 D322 | L317-D319 PolarHBondContact O-N 2.83Å; D319-F321 HydrophobicContact CB-CD2 3.86Å; D319-F321 PolarHBondContact O-N 3.02Å; D319-D322 PolarHBondContact O-N 3.37Å |
| 320 | E | 50.7 | Low | 75.1 | Confident | 111 Ų | 111 | 72.5 Ų | 72.5 | 52% | 0.519 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -1.4 | 177 | -88.4 | -158.5 | 127 | 0 | 0 | 115.1 | R240 R292 | R240-E320 IonicContact NH2-OE1 3.8Å; R292-E320 IonicContact NH1-OE1 3.55Å; R292-E320 IonicContact NH2-OE1 3.61Å |
| 321 | F | 55.5 | Low | 75.3 | Confident | 176 Ų | 176 | 72.4 Ų | 72.4 | 77% | 0.772 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -14.8 | -174.2 | -62.8 | -71.7 | 0 | 0 | 0 | 114.9 | D319 L323 | D319-F321 HydrophobicContact CB-CD2 3.86Å; D319-F321 PolarHBondContact O-N 3.02Å; F321-L323 PolarHBondContact O-N 2.73Å; F321-L323 VanDerWaalsContact O-N 3.08Å |
| 322 | D | 77.8 | Confident | 75.6 | Confident | 69 Ų | 69 | 69.5 Ų | 69.5 | 37% | 0.369 | 38% | 0.383 | S | S | . | . | trans | -89 | 57.2 | 176.3 | -73.7 | -21.2 | 0 | 0 | 0 | 111.4 | P311 S312 G316 D319 | P311-D322 CarbonylContact C-O 3.53Å; S312-D322 WeakPolarHBondContact CB-O 3.15Å; S312-D322 PolarHBondContact N-O 2.86Å; G316-D322 VanDerWaalsContact CA-OD2 3.26Å; G316-D322 WeakPolarHBondContact CA-OD2 3.48Å; D319-D322 PolarHBondContact O-N 3.37Å | ||
| 323 | L | 89.3 | Confident | 76.3 | Confident | 36 Ų | 36 | 68 Ų | 68 | 19% | 0.188 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 139.5 | 173.9 | -63.9 | 177.9 | 0 | 0 | 0 | 111.1 | R292 S310 F321 | R292-L323 VanDerWaalsContact NH2-CD1 3.3Å; S310-L323 CarbonylContact O-C 3.6Å; S310-L323 WeakPolarHBondContact O-CA 3.39Å; S310-L323 WeakPolarHBondContact O-CD2 3.47Å; F321-L323 PolarHBondContact O-N 2.73Å; F321-L323 VanDerWaalsContact O-N 3.08Å |
| 324 | I | 92.3 | Very high | 77.5 | Confident | 60 Ų | 60 | 63.9 Ų | 63.9 | 31% | 0.308 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 132.3 | 170.8 | 60.7 | 167.7 | 0 | 0 | 0 | 110.2 | T309 S310 | T309-I324 VanDerWaalsContact CA-O 3.24Å; T309-I324 WeakPolarHBondContact CA-O 3.31Å; S310-I324 PolarHBondContact N-O 3.19Å; S310-I324 VanDerWaalsContact N-O 3.11Å; S310-I324 PolarHBondContact O-N 3.32Å; S310-I324 WeakPolarHBondContact OG-CD1 3.35Å; S310-I324 WeakPolarHBondContact OG-CG1 3.23Å |
| 325 | D | 93.9 | Very high | 78.9 | Confident | 18 Ų | 18 | 60.1 Ų | 60.1 | 10% | 0.096 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 127.4 | 175.1 | -57.4 | -29.1 | 0 | 0 | 0 | 110.3 | R13 V15 C33 S34 T309 | R13-D325 HydrophobicContact CG-CB 3.49Å; R13-D325 VanDerWaalsContact CG-CB 3.49Å; R13-D325 PolarHBondContact NE-O 3.49Å; V15-D325 HydrophobicContact CG2-CB 3.98Å; V15-D325 WeakPolarHBondContact CG2-OD1 3.31Å; C33-D325 WeakPolarHBondContact CA-OD2 3.49Å; S34-D325 WeakPolarHBondContact CA-OD2 3.46Å; S34-D325 WeakPolarHBondContact CB-OD2 3.28Å; S34-D325 PolarHBondContact N-OD2 3.41Å; S34-D325 PolarHBondContact OG-OD1 3.07Å; S34-D325 PolarHBondContact OG-OD2 3.4Å; T309-D325 WeakPolarHBondContact CG2-OD1 3.39Å |
| 326 | H | 95.4 | Very high | 81.1 | Confident | 24 Ų | 24 | 50.9 Ų | 50.9 | 11% | 0.111 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -87.9 | 140 | -174.7 | -69.4 | -83.6 | 0 | 0 | 0 | 112.2 | R13 C289 G307 G308 S310 D328 | R13-H326 WeakPolarHBondContact CA-O 3.29Å; C289-H326 VanDerWaalsContact SG-CE1 3.57Å; G307-H326 WeakPolarHBondContact CA-O 3.41Å; G308-H326 PolarHBondContact O-CD2 3.43Å; G308-H326 PolarHBondContact O-N 2.83Å; S310-H326 WeakPolarHBondContact CB-NE2 3.25Å; S310-H326 PolarHBondContact OG-NE2 2.88Å; H326-D328 WeakPolarHBondContact CB-OD1 3.19Å; H326-D328 IonicContact CG-OD1 3.28Å |
| 327 | S | 95.6 | Very high | 83.4 | Confident | 16 Ų | 16 | 51.8 Ų | 51.8 | 11% | 0.112 | 29% | 0.293 | C | S | . | . | trans | -108.8 | 8.4 | 167.4 | 52.4 | 0 | 0 | 0 | 0 | 112.6 | G10 G11 | G10-S327 PolarHBondContact N-O 3.49Å; G11-S327 WeakPolarHBondContact CA-O 3.25Å; G11-S327 PolarHBondContact N-O 2.74Å; G11-S327 WeakPolarHBondContact O-CB 3.37Å | ||
| 328 | D | 96.6 | Very high | 86 | Confident | 6 Ų | 6 | 49.9 Ų | 49.9 | 3% | 0.032 | 28% | 0.283 | C | S | . | . | trans | -77.9 | 160.8 | -176.9 | 70.3 | -9.2 | 0 | 0 | 0 | 111.7 | L8 E9 R291 F306 G307 H326 H330 | L8-D328 CarbonylContact O-C 3.52Å; L8-D328 VanDerWaalsContact O-CA 3.22Å; L8-D328 WeakPolarHBondContact O-CA 3.42Å; E9-D328 WeakPolarHBondContact OE1-CB 3.43Å; E9-D328 WeakPolarHBondContact OE2-CB 3.46Å; R291-D328 IonicContact CZ-OD1 3.12Å; R291-D328 IonicContact CZ-OD2 3.62Å; R291-D328 VanDerWaalsContact NH1-CG 3.35Å; R291-D328 IonicContact NH1-OD1 2.65Å; R291-D328 PolarHBondContact NH1-OD1 3Å; R291-D328 IonicContact NH1-OD2 2.75Å; R291-D328 PolarHBondContact NH1-OD2 2.91Å; R291-D328 IonicContact NH2-OD1 3.55Å; R291-D328 IonicContact NH2-OD2 3.53Å; R291-D328 PolarHBondContact NH2-OD2 3.23Å; F306-D328 WeakPolarHBondContact CA-O 3.22Å; F306-D328 VanDerWaalsContact CB-O 3.29Å; F306-D328 WeakPolarHBondContact CB-O 2.97Å; G307-D328 PolarHBondContact N-O 2.89Å; H326-D328 WeakPolarHBondContact CB-OD1 3.19Å; H326-D328 IonicContact CG-OD1 3.28Å; D328-H330 IonicContact OD2-CD2 2.8Å; D328-H330 PolarHBondContact OD2-CD2 3.12Å; D328-H330 IonicContact OD2-CE1 2.67Å; D328-H330 IonicContact OD2-NE2 2.61Å; D328-H330 PolarHBondContact OD2-NE2 3.32Å | ||
| 329 | L | 97.4 | Very high | 88.5 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 133.5 | 173.8 | 175.9 | 145.9 | 0 | 0 | 0 | 108.6 | V6 H7 L8 F49 W56 V304 L305 F306 I331 | V6-L329 HydrophobicContact CG1-CD2 4.39Å; H7-L329 VanDerWaalsContact CA-O 3.28Å; H7-L329 WeakPolarHBondContact CA-O 3.41Å; L8-L329 PolarHBondContact N-O 3.43Å; L8-L329 PolarHBondContact O-N 3.42Å; F49-L329 HydrophobicContact CD1-CD1 4.17Å; F49-L329 HydrophobicContact CD2-CD1 3.62Å; F49-L329 HydrophobicContact CE1-CD1 3.95Å; F49-L329 HydrophobicContact CE2-CD1 3.38Å; F49-L329 HydrophobicContact CE2-CD2 4.23Å; F49-L329 HydrophobicContact CE2-CG 4.47Å; F49-L329 HydrophobicContact CG-CD1 4Å; F49-L329 HydrophobicContact CZ-CD1 3.55Å; F49-L329 HydrophobicContact CZ-CD2 3.91Å; F49-L329 HydrophobicContact CZ-CG 4.42Å; W56-L329 HydrophobicContact CZ2-CD1 3.75Å; V304-L329 HydrophobicContact CG1-CD1 3.59Å; V304-L329 HydrophobicContact CG1-CG 4.03Å; L305-L329 CarbonylContact O-C 3.55Å; L305-L329 WeakPolarHBondContact O-CA 3.3Å; F306-L329 HydrophobicContact CB-CB 4.26Å; L329-I331 HydrophobicContact CD2-CD1 4.11Å; L329-I331 HydrophobicContact CD2-CG1 3.73Å |
| 330 | H | 98.4 | Very high | 90.8 | Very high | 5 Ų | 5 | 45.4 Ų | 45.4 | 2% | 0.023 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 137.5 | 176.6 | -66.4 | -100.1 | 0 | 0 | 0 | 110.1 | W4 V6 H7 P288 L305 D328 | W4-H330 HydrophobicContact CE3-CB 3.7Å; W4-H330 HydrophobicContact CZ3-CB 3.54Å; V6-H330 CarbonylContact O-C 3.49Å; V6-H330 VanDerWaalsContact O-CA 3.3Å; V6-H330 WeakPolarHBondContact O-CA 3.29Å; H7-H330 AromaticContact CE1-CE1 3.75Å; H7-H330 AromaticContact CE1-NE2 3.74Å; H7-H330 AromaticContact CG-CE1 3.81Å; H7-H330 AromaticContact ND1-CD2 4Å; H7-H330 AromaticContact ND1-CE1 3.1Å; H7-H330 PolarHBondContact ND1-CE1 2.98Å; H7-H330 AromaticContact ND1-ND1 3.73Å; H7-H330 AromaticContact ND1-NE2 3.28Å; H7-H330 PolarHBondContact ND1-NE2 3.33Å; P288-H330 HydrophobicContact CG-CB 3.94Å; L305-H330 PolarHBondContact N-O 2.78Å; L305-H330 PolarHBondContact O-N 2.83Å; D328-H330 IonicContact OD2-CD2 2.8Å; D328-H330 PolarHBondContact OD2-CD2 3.12Å; D328-H330 IonicContact OD2-CE1 2.67Å; D328-H330 IonicContact OD2-NE2 2.61Å; D328-H330 PolarHBondContact OD2-NE2 3.32Å |
| 331 | I | 98.4 | Very high | 93 | Very high | 5 Ų | 5 | 43.3 Ų | 43.3 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 113.1 | 173.4 | -58.1 | -175.2 | 0 | 0 | 0 | 110.8 | W4 T5 V6 F49 L54 K302 I303 L329 | W4-I331 CarbonylContact C-O 3.54Å; W4-I331 WeakPolarHBondContact CA-O 3.09Å; T5-I331 PolarHBondContact N-O 3.32Å; T5-I331 PolarHBondContact OG1-O 2.93Å; V6-I331 HydrophobicContact CB-CB 3.87Å; V6-I331 HydrophobicContact CB-CD1 4.02Å; V6-I331 HydrophobicContact CB-CG1 3.92Å; V6-I331 HydrophobicContact CG1-CD1 4.35Å; V6-I331 HydrophobicContact CG1-CG1 4.45Å; V6-I331 HydrophobicContact CG2-CB 4.23Å; V6-I331 HydrophobicContact CG2-CD1 4.08Å; V6-I331 HydrophobicContact CG2-CG1 4.41Å; V6-I331 PolarHBondContact O-N 2.83Å; F49-I331 HydrophobicContact CE1-CD1 4.43Å; F49-I331 HydrophobicContact CZ-CD1 4.28Å; L54-I331 HydrophobicContact CD2-CD1 3.48Å; L54-I331 VanDerWaalsContact CD2-CD1 3.48Å; K302-I331 HydrophobicContact CB-CG2 3.86Å; K302-I331 HydrophobicContact CD-CG2 4.02Å; K302-I331 HydrophobicContact CG-CG2 4.05Å; I303-I331 CarbonylContact O-C 3.56Å; I303-I331 VanDerWaalsContact O-CA 3.26Å; I303-I331 WeakPolarHBondContact O-CA 3.41Å; L329-I331 HydrophobicContact CD2-CD1 4.11Å; L329-I331 HydrophobicContact CD2-CG1 3.73Å |
| 332 | L | 98.3 | Very high | 95 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 120.6 | 169.5 | -176.2 | 62.7 | 0 | 0 | 0 | 109 | L2 W4 L268 P283 K302 I303 | L2-L332 HydrophobicContact CD1-CD1 3.6Å; L2-L332 HydrophobicContact CD1-CD2 3.97Å; L2-L332 HydrophobicContact CD1-CG 3.61Å; L2-L332 HydrophobicContact CG-CD1 3.85Å; L2-L332 HydrophobicContact CG-CG 4.36Å; W4-L332 HydrophobicContact CD2-CB 4.18Å; W4-L332 HydrophobicContact CD2-CD1 3.92Å; W4-L332 HydrophobicContact CE3-CB 3.7Å; W4-L332 HydrophobicContact CE3-CD1 4.32Å; W4-L332 HydrophobicContact CG-CD1 4.22Å; W4-L332 HydrophobicContact CH2-CB 3.91Å; W4-L332 HydrophobicContact CH2-CD2 4.41Å; W4-L332 HydrophobicContact CZ2-CB 4.35Å; W4-L332 HydrophobicContact CZ2-CD1 4.32Å; W4-L332 HydrophobicContact CZ2-CD2 4.34Å; W4-L332 HydrophobicContact CZ3-CB 3.57Å; L268-L332 HydrophobicContact CD2-CD2 3.71Å; P283-L332 HydrophobicContact CB-CD1 3.7Å; P283-L332 HydrophobicContact CG-CD1 3.91Å; K302-L332 CarbonylContact C-O 3.54Å; K302-L332 VanDerWaalsContact CA-O 3.27Å; K302-L332 WeakPolarHBondContact CA-O 3.43Å; I303-L332 HydrophobicContact CB-CB 4.08Å; I303-L332 HydrophobicContact CG1-CB 4.43Å; I303-L332 HydrophobicContact CG1-CD2 4.46Å; I303-L332 PolarHBondContact N-O 3.08Å; I303-L332 PolarHBondContact O-N 2.89Å |
| 333 | D | 97.4 | Very high | 95.9 | Very high | 6 Ų | 6 | 36.1 Ų | 36.1 | 3% | 0.032 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 119.4 | 178.9 | -170.4 | -18.1 | 0 | 0 | 0 | 110 | L2 R3 T5 K302 S335 P336 | L2-D333 WeakPolarHBondContact CA-O 3.26Å; L2-D333 WeakPolarHBondContact CD1-O 3.33Å; R3-D333 PolarHBondContact N-O 3.34Å; R3-D333 VanDerWaalsContact N-O 3.09Å; R3-D333 PolarHBondContact O-N 3.13Å; T5-D333 HydrophobicContact CG2-CB 3.47Å; T5-D333 VanDerWaalsContact CG2-CB 3.47Å; K302-D333 HydrophobicContact CG-CB 4.33Å; K302-D333 IonicContact NZ-OD2 3.58Å; K302-D333 PolarHBondContact NZ-OD2 2.86Å; D333-S335 VanDerWaalsContact C-N 3.34Å; D333-S335 PolarHBondContact OD1-N 2.94Å; D333-P336 HydrophobicContact CB-CB 4.32Å; D333-P336 VanDerWaalsContact OD2-CA 3.3Å; D333-P336 WeakPolarHBondContact OD2-CA 3.4Å |
| 334 | F | 96.4 | Very high | 96.3 | Very high | 28 Ų | 28 | 35.6 Ų | 35.6 | 12% | 0.123 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -70.8 | -29.8 | 178.8 | -81.2 | -87.2 | 0 | 0 | 0 | 113 | L2 F245 Y247 Y252 D301 I303 | L2-F334 HydrophobicContact CD1-CB 4.28Å; L2-F334 HydrophobicContact CD1-CD1 3.55Å; L2-F334 HydrophobicContact CD1-CD2 4.26Å; L2-F334 HydrophobicContact CD1-CE1 3.8Å; L2-F334 HydrophobicContact CD1-CG 3.78Å; L2-F334 HydrophobicContact CD1-CZ 4.29Å; L2-F334 HydrophobicContact CD2-CE1 4.49Å; F245-F334 HydrophobicContact CE2-CE2 4.06Å; F245-F334 AromaticContact CE2-CZ 3.87Å; F245-F334 HydrophobicContact CE2-CZ 3.87Å; F245-F334 HydrophobicContact CZ-CZ 4.26Å; Y247-F334 AromaticContact CD1-CD1 3.68Å; Y247-F334 HydrophobicContact CD1-CD1 3.68Å; Y247-F334 AromaticContact CD1-CD2 3.98Å; Y247-F334 HydrophobicContact CD1-CD2 3.98Å; Y247-F334 AromaticContact CD1-CE1 3.69Å; Y247-F334 HydrophobicContact CD1-CE1 3.69Å; Y247-F334 AromaticContact CD1-CE2 3.95Å; Y247-F334 HydrophobicContact CD1-CE2 3.95Å; Y247-F334 AromaticContact CD1-CG 3.85Å; Y247-F334 HydrophobicContact CD1-CG 3.85Å; Y247-F334 AromaticContact CD1-CZ 3.83Å; Y247-F334 HydrophobicContact CD1-CZ 3.83Å; Y247-F334 HydrophobicContact CD2-CD2 4.48Å; Y247-F334 HydrophobicContact CE1-CB 3.75Å; Y247-F334 AromaticContact CE1-CD1 3.46Å; Y247-F334 HydrophobicContact CE1-CD1 3.46Å; Y247-F334 VanDerWaalsContact CE1-CD1 3.46Å; Y247-F334 AromaticContact CE1-CD2 3.82Å; Y247-F334 HydrophobicContact CE1-CD2 3.82Å; Y247-F334 AromaticContact CE1-CE1 3.99Å; Y247-F334 HydrophobicContact CE1-CE1 3.99Å; Y247-F334 HydrophobicContact CE1-CE2 4.27Å; Y247-F334 AromaticContact CE1-CG 3.38Å; Y247-F334 HydrophobicContact CE1-CG 3.38Å; Y247-F334 HydrophobicContact CE1-CZ 4.37Å; Y247-F334 HydrophobicContact CE2-CD2 4.36Å; Y247-F334 HydrophobicContact CG-CD2 4.31Å; Y247-F334 HydrophobicContact CG-CE2 4.08Å; Y247-F334 HydrophobicContact CG-CZ 4.22Å; Y247-F334 AromaticContact CZ-CG 3.82Å; Y252-F334 HydrophobicContact CD1-CZ 4.32Å; Y252-F334 AromaticContact CE1-CE1 3.74Å; Y252-F334 HydrophobicContact CE1-CE1 3.74Å; Y252-F334 AromaticContact CE1-CZ 3.93Å; Y252-F334 HydrophobicContact CE1-CZ 3.93Å; Y252-F334 HydrophobicContact CE2-CE1 4.29Å; Y252-F334 HydrophobicContact CE2-CZ 4.28Å; Y252-F334 AromaticContact CZ-CE1 3.58Å; Y252-F334 AromaticContact CZ-CZ 3.9Å; Y252-F334 WeakPolarHBondContact OH-CE1 3.38Å; D301-F334 PolarHBondContact O-N 3.31Å; D301-F334 VanDerWaalsContact O-N 3.14Å; I303-F334 HydrophobicContact CD1-CE2 4.01Å; I303-F334 HydrophobicContact CG1-CE2 3.68Å |
| 335 | S | 94.4 | Very high | 96.5 | Very high | 85 Ų | 85 | 34.3 Ų | 34.3 | 59% | 0.594 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -143.2 | 68.3 | -176.5 | -168.7 | 0 | 0 | 0 | 0 | 111.5 | D333 S337 | D333-S335 VanDerWaalsContact C-N 3.34Å; D333-S335 PolarHBondContact OD1-N 2.94Å; S335-S337 PolarHBondContact O-N 2.65Å |
| 336 | P | 95.3 | Very high | 96.6 | Very high | 12 Ų | 12 | 34.4 Ų | 34.4 | 8% | 0.078 | 20% | 0.199 | C | C | . | . | trans | -63.1 | 124.2 | -179.3 | 25.4 | -34 | 0 | 0 | 0 | 110.7 | M1 T5 D333 T340 L341 | M1-P336 WeakPolarHBondContact O-CD 3.43Å; M1-P336 VanDerWaalsContact O-CG 3.29Å; M1-P336 WeakPolarHBondContact O-CG 3.45Å; T5-P336 HydrophobicContact CG2-CB 4.37Å; D333-P336 HydrophobicContact CB-CB 4.32Å; D333-P336 VanDerWaalsContact OD2-CA 3.3Å; D333-P336 WeakPolarHBondContact OD2-CA 3.4Å; P336-T340 HydrophobicContact CB-CG2 4.06Å; P336-L341 HydrophobicContact CB-CD2 4.11Å; P336-L341 HydrophobicContact CB-CG 4.37Å; P336-L341 HydrophobicContact CG-CD2 4.12Å | ||
| 337 | S | 95.7 | Very high | 96.7 | Very high | 60 Ų | 60 | 36.1 Ų | 36.1 | 42% | 0.42 | 21% | 0.209 | S | C | . | . | trans | -63.1 | 162.1 | 175 | 74 | 0 | 0 | 0 | 0 | 112.1 | S335 K339 T340 L341 | S335-S337 PolarHBondContact O-N 2.65Å; S337-K339 PolarHBondContact O-N 2.92Å; S337-K339 PolarHBondContact OG-N 2.64Å; S337-T340 WeakPolarHBondContact O-CA 3.39Å; S337-T340 WeakPolarHBondContact O-CB 3.27Å; S337-T340 PolarHBondContact O-N 3.47Å; S337-T340 PolarHBondContact OG-N 2.9Å; S337-T340 PolarHBondContact OG-OG1 3.45Å; S337-T340 VanDerWaalsContact OG-OG1 3.04Å; S337-L341 WeakPolarHBondContact O-CG 3.3Å; S337-L341 PolarHBondContact O-N 3Å | ||
| 338 | L | 96.4 | Very high | 96.6 | Very high | 131 Ų | 131 | 41.4 Ų | 41.4 | 69% | 0.686 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -56.2 | -41.7 | 171.8 | -178.3 | 60.5 | 0 | 0 | 0 | 111.4 | T340 L341 C342 | L338-T340 VanDerWaalsContact C-N 3.31Å; L338-T340 PolarHBondContact O-N 2.69Å; L338-L341 PolarHBondContact O-N 3.15Å; L338-L341 VanDerWaalsContact O-N 3.13Å; L338-C342 PolarHBondContact O-N 2.81Å; L338-C342 PolarHBondContact O-SG 2.91Å |
| 339 | K | 96.1 | Very high | 96.7 | Very high | 84 Ų | 84 | 48.5 Ų | 48.5 | 37% | 0.365 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -56.2 | -44.8 | 174 | 175 | 169.4 | 162.3 | 169.6 | 0 | 111.3 | S337 C342 K343 D359 I360 E363 | S337-K339 PolarHBondContact O-N 2.92Å; S337-K339 PolarHBondContact OG-N 2.64Å; K339-C342 PolarHBondContact O-N 2.97Å; K339-K343 WeakPolarHBondContact O-CG 3.49Å; K339-K343 PolarHBondContact O-N 3.12Å; K339-K343 VanDerWaalsContact O-N 3.08Å; K339-D359 IonicContact NZ-OD2 2.86Å; K339-D359 PolarHBondContact NZ-OD2 2.8Å; K339-I360 HydrophobicContact CD-CD1 3.89Å; K339-I360 HydrophobicContact CG-CD1 4.26Å; K339-E363 VanDerWaalsContact CE-CD 3.44Å; K339-E363 WeakPolarHBondContact CE-OE1 3.38Å; K339-E363 WeakPolarHBondContact CE-OE2 3.37Å; K339-E363 IonicContact NZ-OE1 3.32Å; K339-E363 PolarHBondContact NZ-OE1 3.11Å; K339-E363 IonicContact NZ-OE2 2.75Å; K339-E363 PolarHBondContact NZ-OE2 2.72Å |
| 340 | T | 96.1 | Very high | 96.6 | Very high | 17 Ų | 17 | 55 Ų | 55 | 10% | 0.104 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.3 | -46.9 | 175.1 | -56 | 0 | 0 | 0 | 0 | 111.4 | T5 P336 S337 L338 C342 K343 L344 | T5-T340 HydrophobicContact CG2-CG2 4.01Å; P336-T340 HydrophobicContact CB-CG2 4.06Å; S337-T340 WeakPolarHBondContact O-CA 3.39Å; S337-T340 WeakPolarHBondContact O-CB 3.27Å; S337-T340 PolarHBondContact O-N 3.47Å; S337-T340 PolarHBondContact OG-N 2.9Å; S337-T340 PolarHBondContact OG-OG1 3.45Å; S337-T340 VanDerWaalsContact OG-OG1 3.04Å; L338-T340 VanDerWaalsContact C-N 3.31Å; L338-T340 PolarHBondContact O-N 2.69Å; T340-C342 PolarHBondContact O-N 3.49Å; T340-K343 PolarHBondContact O-N 3.1Å; T340-L344 WeakPolarHBondContact O-CG 3.49Å; T340-L344 PolarHBondContact O-N 2.73Å |
| 341 | L | 96.7 | Very high | 96.5 | Very high | 68 Ų | 68 | 58.9 Ų | 58.9 | 36% | 0.356 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.4 | -39.5 | -179.1 | -64.4 | 175.1 | 0 | 0 | 0 | 112.4 | P336 S337 L338 L344 A345 | P336-L341 HydrophobicContact CB-CD2 4.11Å; P336-L341 HydrophobicContact CB-CG 4.37Å; P336-L341 HydrophobicContact CG-CD2 4.12Å; S337-L341 WeakPolarHBondContact O-CG 3.3Å; S337-L341 PolarHBondContact O-N 3Å; L338-L341 PolarHBondContact O-N 3.15Å; L338-L341 VanDerWaalsContact O-N 3.13Å; L341-L344 HydrophobicContact CD2-CD1 4.37Å; L341-L344 PolarHBondContact O-N 3.22Å; L341-A345 PolarHBondContact O-N 3.02Å; L341-A345 VanDerWaalsContact O-N 3.08Å |
| 342 | C | 97 | Very high | 96.4 | Very high | 71 Ų | 71 | 64 Ų | 64 | 48% | 0.48 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 174 | -68.4 | 0 | 0 | 0 | 0 | 111.6 | L338 K339 T340 L344 A345 V346 | L338-C342 PolarHBondContact O-N 2.81Å; L338-C342 PolarHBondContact O-SG 2.91Å; K339-C342 PolarHBondContact O-N 2.97Å; T340-C342 PolarHBondContact O-N 3.49Å; C342-L344 VanDerWaalsContact C-N 3.31Å; C342-L344 PolarHBondContact O-N 3.21Å; C342-A345 WeakPolarHBondContact O-CB 3.18Å; C342-A345 PolarHBondContact O-N 3.04Å; C342-A345 VanDerWaalsContact O-N 3.13Å; C342-V346 WeakPolarHBondContact O-CG2 3.31Å; C342-V346 PolarHBondContact O-N 3.41Å |
| 343 | K | 97.1 | Very high | 96.3 | Very high | 22 Ų | 22 | 66.8 Ų | 66.8 | 10% | 0.096 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.7 | -41.1 | 174.9 | -73.1 | -173.2 | -59.3 | 174.2 | 0 | 112.3 | K339 T340 A345 V346 I347 I360 E363 L364 M367 | K339-K343 WeakPolarHBondContact O-CG 3.49Å; K339-K343 PolarHBondContact O-N 3.12Å; K339-K343 VanDerWaalsContact O-N 3.08Å; T340-K343 PolarHBondContact O-N 3.1Å; K343-A345 VanDerWaalsContact C-N 3.3Å; K343-A345 PolarHBondContact O-N 2.65Å; K343-V346 PolarHBondContact O-N 3.07Å; K343-I347 WeakPolarHBondContact O-CG1 3.37Å; K343-I347 PolarHBondContact O-N 3.4Å; K343-I360 HydrophobicContact CG-CG2 4.4Å; K343-E363 HydrophobicContact CD-CB 3.96Å; K343-E363 WeakPolarHBondContact CD-OE2 3.46Å; K343-E363 VanDerWaalsContact CE-OE2 3.32Å; K343-E363 WeakPolarHBondContact CE-OE2 3.29Å; K343-E363 IonicContact NZ-OE2 3.79Å; K343-E363 PolarHBondContact NZ-OE2 3.27Å; K343-L364 HydrophobicContact CB-CD2 3.72Å; K343-L364 HydrophobicContact CD-CD2 4.39Å; K343-L364 HydrophobicContact CD-CG 4.41Å; K343-L364 HydrophobicContact CG-CD2 3.91Å; K343-L364 HydrophobicContact CG-CG 4.21Å; K343-M367 HydrophobicContact CB-SD 4.36Å; K343-M367 HydrophobicContact CD-SD 4.12Å |
| 344 | L | 96.6 | Very high | 96.1 | Very high | 26 Ų | 26 | 70.8 Ų | 70.8 | 14% | 0.136 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.8 | -38.7 | 175.5 | -66.7 | 176.6 | 0 | 0 | 0 | 112.1 | T5 T340 L341 C342 I347 Q348 M367 | T5-L344 HydrophobicContact CG2-CD1 4.16Å; T5-L344 VanDerWaalsContact O-CD2 3.23Å; T5-L344 WeakPolarHBondContact O-CD2 3.26Å; T340-L344 WeakPolarHBondContact O-CG 3.49Å; T340-L344 PolarHBondContact O-N 2.73Å; L341-L344 HydrophobicContact CD2-CD1 4.37Å; L341-L344 PolarHBondContact O-N 3.22Å; C342-L344 VanDerWaalsContact C-N 3.31Å; C342-L344 PolarHBondContact O-N 3.21Å; L344-I347 PolarHBondContact O-N 2.82Å; L344-Q348 WeakPolarHBondContact O-CB 3.26Å; L344-Q348 PolarHBondContact O-N 2.74Å; L344-M367 HydrophobicContact CD2-CE 3.76Å |
| 345 | A | 96.8 | Very high | 96.1 | Very high | 33 Ų | 33 | 74.4 Ų | 74.4 | 27% | 0.273 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.1 | -43.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L341 C342 K343 I347 Q348 Y349 | L341-A345 PolarHBondContact O-N 3.02Å; L341-A345 VanDerWaalsContact O-N 3.08Å; C342-A345 WeakPolarHBondContact O-CB 3.18Å; C342-A345 PolarHBondContact O-N 3.04Å; C342-A345 VanDerWaalsContact O-N 3.13Å; K343-A345 VanDerWaalsContact C-N 3.3Å; K343-A345 PolarHBondContact O-N 2.65Å; A345-I347 VanDerWaalsContact C-N 3.31Å; A345-I347 PolarHBondContact O-N 3.01Å; A345-Q348 PolarHBondContact O-N 2.96Å; A345-Y349 HydrophobicContact CB-CD2 4.24Å; A345-Y349 HydrophobicContact CB-CE2 4.47Å; A345-Y349 WeakPolarHBondContact O-CB 3.44Å; A345-Y349 VanDerWaalsContact O-CD2 3.26Å; A345-Y349 WeakPolarHBondContact O-CD2 3.32Å; A345-Y349 PolarHBondContact O-N 3.33Å |
| 346 | V | 97.4 | Very high | 96.1 | Very high | 20 Ų | 20 | 72.4 Ų | 72.4 | 12% | 0.121 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -56 | -46.2 | 175 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | C342 K343 N350 L351 Q353 L356 L364 | C342-V346 WeakPolarHBondContact O-CG2 3.31Å; C342-V346 PolarHBondContact O-N 3.41Å; K343-V346 PolarHBondContact O-N 3.07Å; V346-N350 WeakPolarHBondContact O-CA 3.5Å; V346-N350 PolarHBondContact O-N 2.77Å; V346-N350 VanDerWaalsContact O-N 3.08Å; V346-L351 HydrophobicContact CG1-CB 4.31Å; V346-L351 HydrophobicContact CG2-CD1 4.25Å; V346-L351 PolarHBondContact O-N 2.92Å; V346-Q353 HydrophobicContact CG1-CG 3.85Å; V346-L356 HydrophobicContact CG1-CD1 4.38Å; V346-L364 HydrophobicContact CB-CD2 4.16Å; V346-L364 HydrophobicContact CG1-CD1 3.82Å; V346-L364 HydrophobicContact CG1-CD2 4.06Å |
| 347 | I | 96.1 | Very high | 96.2 | Very high | 59 Ų | 59 | 75.4 Ų | 75.4 | 30% | 0.303 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -66.7 | -49.8 | 177.8 | -63.7 | 166.7 | 0 | 0 | 0 | 110.9 | K343 L344 A345 Y349 N350 L364 M367 T368 | K343-I347 WeakPolarHBondContact O-CG1 3.37Å; K343-I347 PolarHBondContact O-N 3.4Å; L344-I347 PolarHBondContact O-N 2.82Å; A345-I347 VanDerWaalsContact C-N 3.31Å; A345-I347 PolarHBondContact O-N 3.01Å; I347-Y349 VanDerWaalsContact C-N 3.34Å; I347-Y349 PolarHBondContact O-N 2.82Å; I347-N350 PolarHBondContact O-N 3.08Å; I347-L364 HydrophobicContact CD1-CD2 3.97Å; I347-L364 HydrophobicContact CG1-CD2 3.74Å; I347-M367 HydrophobicContact CD1-CB 4.02Å; I347-M367 HydrophobicContact CD1-CE 4.04Å; I347-M367 HydrophobicContact CD1-SD 4.49Å; I347-T368 HydrophobicContact CD1-CG2 3.79Å; I347-T368 HydrophobicContact CG1-CG2 3.85Å; I347-T368 HydrophobicContact CG2-CG2 4.06Å |
| 348 | Q | 95.2 | Very high | 96.3 | Very high | 127 Ų | 127 | 78.9 Ų | 78.9 | 59% | 0.593 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -63.3 | -38.4 | -174.1 | 179.9 | 179 | -14 | 0 | 0 | 112.7 | L344 A345 | L344-Q348 WeakPolarHBondContact O-CB 3.26Å; L344-Q348 PolarHBondContact O-N 2.74Å; A345-Q348 PolarHBondContact O-N 2.96Å |
| 349 | Y | 96.9 | Very high | 96.2 | Very high | 156 Ų | 156 | 76.3 Ų | 76.3 | 61% | 0.612 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | 7.3 | -178.1 | -62.2 | -70.4 | 0 | 0 | 0 | 113.2 | A345 I347 L351 | A345-Y349 HydrophobicContact CB-CD2 4.24Å; A345-Y349 HydrophobicContact CB-CE2 4.47Å; A345-Y349 WeakPolarHBondContact O-CB 3.44Å; A345-Y349 VanDerWaalsContact O-CD2 3.26Å; A345-Y349 WeakPolarHBondContact O-CD2 3.32Å; A345-Y349 PolarHBondContact O-N 3.33Å; I347-Y349 VanDerWaalsContact C-N 3.34Å; I347-Y349 PolarHBondContact O-N 2.82Å; Y349-L351 VanDerWaalsContact C-N 3.26Å; Y349-L351 PolarHBondContact O-N 3.22Å |
| 350 | N | 95.7 | Very high | 96.2 | Very high | 139 Ų | 139 | 73.6 Ų | 73.6 | 74% | 0.743 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | 46.9 | -178.5 | -166.8 | 42.7 | 0 | 0 | 0 | 112.9 | V346 I347 | V346-N350 WeakPolarHBondContact O-CA 3.5Å; V346-N350 PolarHBondContact O-N 2.77Å; V346-N350 VanDerWaalsContact O-N 3.08Å; I347-N350 PolarHBondContact O-N 3.08Å |
| 351 | L | 97.2 | Very high | 96.3 | Very high | 86 Ų | 86 | 77.8 Ų | 77.8 | 45% | 0.45 | 41% | 0.412 | S | S | . | . | trans | -71.4 | 150.9 | -176.9 | -56.3 | -179.1 | 0 | 0 | 0 | 110.9 | V346 Y349 Q353 | V346-L351 HydrophobicContact CG1-CB 4.31Å; V346-L351 HydrophobicContact CG2-CD1 4.25Å; V346-L351 PolarHBondContact O-N 2.92Å; Y349-L351 VanDerWaalsContact C-N 3.26Å; Y349-L351 PolarHBondContact O-N 3.22Å; L351-Q353 WeakPolarHBondContact O-CG 3.29Å; L351-Q353 PolarHBondContact O-N 3.41Å | ||
| 352 | D | 95.7 | Very high | 96.3 | Very high | 113 Ų | 113 | 80.1 Ų | 80.1 | 60% | 0.604 | 42% | 0.416 | S | S | * | . | trans | -59.5 | 133.4 | 175.4 | -179.5 | 27 | 0 | 0 | 0 | 111 | S354 | D352-S354 WeakPolarHBondContact OD1-CB 3.43Å; D352-S354 PolarHBondContact OD1-N 3.45Å; D352-S354 PolarHBondContact OD1-OG 3.37Å; D352-S354 PolarHBondContact OD2-OG 3.22Å | ||
| 353 | Q | 95.5 | Very high | 96.2 | Very high | 60 Ų | 60 | 78.8 Ų | 78.8 | 28% | 0.28 | 40% | 0.403 | S | S | . | . | trans | -108 | -7.5 | -176 | -54.7 | -178.3 | 31.1 | 0 | 0 | 112 | V346 L351 C355 L356 R361 L364 | V346-Q353 HydrophobicContact CG1-CG 3.85Å; L351-Q353 WeakPolarHBondContact O-CG 3.29Å; L351-Q353 PolarHBondContact O-N 3.41Å; Q353-C355 VanDerWaalsContact C-N 3.27Å; Q353-C355 PolarHBondContact O-N 3.33Å; Q353-L356 HydrophobicContact CB-CD1 4.03Å; Q353-L356 HydrophobicContact CG-CD1 4.21Å; Q353-L356 WeakPolarHBondContact O-CB 3.34Å; Q353-L356 PolarHBondContact O-N 2.82Å; Q353-R361 VanDerWaalsContact O-CD 3.26Å; Q353-R361 WeakPolarHBondContact O-CD 3.42Å; Q353-L364 HydrophobicContact CG-CD1 4.27Å | ||
| 354 | S | 94.6 | Very high | 96.3 | Very high | 89 Ų | 89 | 77.8 Ų | 77.8 | 62% | 0.622 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -37.3 | -171.2 | 71.5 | 0 | 0 | 0 | 0 | 113.5 | D352 | D352-S354 WeakPolarHBondContact OD1-CB 3.43Å; D352-S354 PolarHBondContact OD1-N 3.45Å; D352-S354 PolarHBondContact OD1-OG 3.37Å; D352-S354 PolarHBondContact OD2-OG 3.22Å |
| 355 | C | 94.9 | Very high | 96.2 | Very high | 105 Ų | 105 | 80.5 Ų | 80.5 | 71% | 0.709 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -4.2 | -179.6 | 62.5 | 0 | 0 | 0 | 0 | 114 | Q353 | Q353-C355 VanDerWaalsContact C-N 3.27Å; Q353-C355 PolarHBondContact O-N 3.33Å |
| 356 | L | 96.1 | Very high | 96.2 | Very high | 43 Ų | 43 | 79.1 Ų | 79.1 | 23% | 0.225 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -75.7 | 145 | -177.8 | -62.7 | 178.9 | 0 | 0 | 0 | 111.4 | V346 Q353 I360 R361 L364 | V346-L356 HydrophobicContact CG1-CD1 4.38Å; Q353-L356 HydrophobicContact CB-CD1 4.03Å; Q353-L356 HydrophobicContact CG-CD1 4.21Å; Q353-L356 WeakPolarHBondContact O-CB 3.34Å; Q353-L356 PolarHBondContact O-N 2.82Å; L356-I360 HydrophobicContact CB-CB 4.48Å; L356-I360 HydrophobicContact CB-CG2 4.39Å; L356-I360 HydrophobicContact CD1-CG2 4.09Å; L356-R361 HydrophobicContact CB-CG 3.83Å; L356-R361 PolarHBondContact O-NE 3.14Å; L356-R361 VanDerWaalsContact O-NE 3.14Å; L356-L364 HydrophobicContact CD1-CD1 3.56Å |
| 357 | P | 97 | Very high | 96.2 | Very high | 75 Ų | 75 | 78.9 Ų | 78.9 | 49% | 0.487 | 40% | 0.4 | S | S | . | . | trans | -51.3 | 148.5 | 171.4 | -28 | 36.3 | 0 | 0 | 0 | 112.6 | D359 I360 R361 | P357-D359 VanDerWaalsContact C-N 3.31Å; P357-D359 WeakPolarHBondContact CB-OD1 3.46Å; P357-D359 PolarHBondContact O-N 2.94Å; P357-I360 HydrophobicContact CB-CG1 4.17Å; P357-I360 HydrophobicContact CG-CG1 4.38Å; P357-I360 PolarHBondContact O-N 3.4Å; P357-I360 VanDerWaalsContact O-N 3.12Å; P357-R361 PolarHBondContact O-N 3.38Å | ||
| 358 | H | 96.2 | Very high | 96.1 | Very high | 132 Ų | 132 | 79.3 Ų | 79.3 | 61% | 0.611 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -57.8 | -41 | -173.8 | 175.6 | -88.5 | 0 | 0 | 0 | 113.2 | R361 W362 | H358-R361 PolarHBondContact O-N 2.94Å; H358-W362 WeakPolarHBondContact O-CB 3.42Å; H358-W362 PolarHBondContact O-N 3.39Å |
| 359 | D | 95.4 | Very high | 96.1 | Very high | 77 Ų | 77 | 76.1 Ų | 76.1 | 41% | 0.412 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.7 | -41.2 | 177.5 | 67.2 | -47.9 | 0 | 0 | 0 | 111.9 | K339 P357 W362 E363 | K339-D359 IonicContact NZ-OD2 2.86Å; K339-D359 PolarHBondContact NZ-OD2 2.8Å; P357-D359 VanDerWaalsContact C-N 3.31Å; P357-D359 WeakPolarHBondContact CB-OD1 3.46Å; P357-D359 PolarHBondContact O-N 2.94Å; D359-W362 PolarHBondContact O-N 2.89Å; D359-E363 WeakPolarHBondContact O-CG 3.49Å; D359-E363 PolarHBondContact O-N 3.02Å |
| 360 | I | 96.6 | Very high | 96 | Very high | 28 Ų | 28 | 72.8 Ų | 72.8 | 14% | 0.144 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -65.6 | -44.9 | 176.2 | -56.6 | -57.3 | 0 | 0 | 0 | 110.9 | K339 K343 L356 P357 W362 E363 L364 | K339-I360 HydrophobicContact CD-CD1 3.89Å; K339-I360 HydrophobicContact CG-CD1 4.26Å; K343-I360 HydrophobicContact CG-CG2 4.4Å; L356-I360 HydrophobicContact CB-CB 4.48Å; L356-I360 HydrophobicContact CB-CG2 4.39Å; L356-I360 HydrophobicContact CD1-CG2 4.09Å; P357-I360 HydrophobicContact CB-CG1 4.17Å; P357-I360 HydrophobicContact CG-CG1 4.38Å; P357-I360 PolarHBondContact O-N 3.4Å; P357-I360 VanDerWaalsContact O-N 3.12Å; I360-W362 VanDerWaalsContact C-N 3.3Å; I360-W362 PolarHBondContact O-N 2.91Å; I360-E363 PolarHBondContact O-N 2.76Å; I360-L364 HydrophobicContact CG2-CD1 3.93Å; I360-L364 HydrophobicContact CG2-CG 4.37Å; I360-L364 WeakPolarHBondContact O-CB 3.32Å; I360-L364 VanDerWaalsContact O-CG 3.28Å; I360-L364 WeakPolarHBondContact O-CG 3.31Å; I360-L364 PolarHBondContact O-N 3.04Å |
| 361 | R | 96.7 | Very high | 95.8 | Very high | 105 Ų | 105 | 66.9 Ų | 66.9 | 40% | 0.396 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.4 | -41 | 175.3 | -69.8 | -170.6 | -70.8 | 132 | -4.3 | 111.7 | Q353 L356 P357 H358 L364 N365 | Q353-R361 VanDerWaalsContact O-CD 3.26Å; Q353-R361 WeakPolarHBondContact O-CD 3.42Å; L356-R361 HydrophobicContact CB-CG 3.83Å; L356-R361 PolarHBondContact O-NE 3.14Å; L356-R361 VanDerWaalsContact O-NE 3.14Å; P357-R361 PolarHBondContact O-N 3.38Å; H358-R361 PolarHBondContact O-N 2.94Å; R361-L364 PolarHBondContact O-N 2.54Å; R361-N365 WeakPolarHBondContact O-CB 3.2Å; R361-N365 PolarHBondContact O-N 2.7Å |
| 362 | W | 96.8 | Very high | 95.3 | Very high | 116 Ų | 116 | 69.4 Ų | 69.4 | 44% | 0.439 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.5 | -46.1 | 176.4 | -178.1 | 91.2 | 0 | 0 | 0 | 111.7 | V52 H358 D359 I360 N365 A366 | V52-W362 HydrophobicContact CG1-CH2 4.35Å; V52-W362 WeakPolarHBondContact O-CH2 3.5Å; H358-W362 WeakPolarHBondContact O-CB 3.42Å; H358-W362 PolarHBondContact O-N 3.39Å; D359-W362 PolarHBondContact O-N 2.89Å; I360-W362 VanDerWaalsContact C-N 3.3Å; I360-W362 PolarHBondContact O-N 2.91Å; W362-N365 PolarHBondContact O-N 3.33Å; W362-A366 WeakPolarHBondContact O-CB 3.29Å; W362-A366 PolarHBondContact O-N 2.54Å |
| 363 | E | 96.7 | Very high | 94.9 | Very high | 44 Ų | 44 | 66.6 Ų | 66.6 | 21% | 0.206 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.8 | -39.8 | 177.6 | -73.1 | 177.5 | -163 | 0 | 0 | 112.3 | K339 K343 D359 I360 A366 M367 | K339-E363 VanDerWaalsContact CE-CD 3.44Å; K339-E363 WeakPolarHBondContact CE-OE1 3.38Å; K339-E363 WeakPolarHBondContact CE-OE2 3.37Å; K339-E363 IonicContact NZ-OE1 3.32Å; K339-E363 PolarHBondContact NZ-OE1 3.11Å; K339-E363 IonicContact NZ-OE2 2.75Å; K339-E363 PolarHBondContact NZ-OE2 2.72Å; K343-E363 HydrophobicContact CD-CB 3.96Å; K343-E363 WeakPolarHBondContact CD-OE2 3.46Å; K343-E363 VanDerWaalsContact CE-OE2 3.32Å; K343-E363 WeakPolarHBondContact CE-OE2 3.29Å; K343-E363 IonicContact NZ-OE2 3.79Å; K343-E363 PolarHBondContact NZ-OE2 3.27Å; D359-E363 WeakPolarHBondContact O-CG 3.49Å; D359-E363 PolarHBondContact O-N 3.02Å; I360-E363 PolarHBondContact O-N 2.76Å; E363-A366 WeakPolarHBondContact O-CB 3.4Å; E363-A366 PolarHBondContact O-N 2.84Å; E363-M367 VanDerWaalsContact O-CG 3.24Å; E363-M367 WeakPolarHBondContact O-CG 3.22Å; E363-M367 PolarHBondContact O-N 3.29Å |
| 364 | L | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.3 | -48.1 | 174.1 | -75.8 | 167.3 | 0 | 0 | 0 | 110.6 | K343 V346 I347 Q353 L356 I360 R361 A366 M367 T368 | K343-L364 HydrophobicContact CB-CD2 3.72Å; K343-L364 HydrophobicContact CD-CD2 4.39Å; K343-L364 HydrophobicContact CD-CG 4.41Å; K343-L364 HydrophobicContact CG-CD2 3.91Å; K343-L364 HydrophobicContact CG-CG 4.21Å; V346-L364 HydrophobicContact CB-CD2 4.16Å; V346-L364 HydrophobicContact CG1-CD1 3.82Å; V346-L364 HydrophobicContact CG1-CD2 4.06Å; I347-L364 HydrophobicContact CD1-CD2 3.97Å; I347-L364 HydrophobicContact CG1-CD2 3.74Å; Q353-L364 HydrophobicContact CG-CD1 4.27Å; L356-L364 HydrophobicContact CD1-CD1 3.56Å; I360-L364 HydrophobicContact CG2-CD1 3.93Å; I360-L364 HydrophobicContact CG2-CG 4.37Å; I360-L364 WeakPolarHBondContact O-CB 3.32Å; I360-L364 VanDerWaalsContact O-CG 3.28Å; I360-L364 WeakPolarHBondContact O-CG 3.31Å; I360-L364 PolarHBondContact O-N 3.04Å; R361-L364 PolarHBondContact O-N 2.54Å; L364-A366 VanDerWaalsContact C-N 3.31Å; L364-A366 PolarHBondContact O-N 3.37Å; L364-M367 PolarHBondContact O-N 2.98Å; L364-M367 VanDerWaalsContact O-N 3.1Å; L364-T368 PolarHBondContact O-N 2.88Å; L364-T368 VanDerWaalsContact O-N 3.13Å; L364-T368 PolarHBondContact O-OG1 3.47Å; L364-T368 VanDerWaalsContact O-OG1 3.05Å |
| 365 | N | 96.3 | Very high | 92.2 | Very high | 83 Ų | 83 | 70.9 Ų | 70.9 | 44% | 0.444 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.2 | -37.5 | 176 | -172.7 | 27.9 | 0 | 0 | 0 | 112.4 | R55 R361 W362 M367 T368 T369 | R55-N365 PolarHBondContact NH2-O 2.71Å; R361-N365 WeakPolarHBondContact O-CB 3.2Å; R361-N365 PolarHBondContact O-N 2.7Å; W362-N365 PolarHBondContact O-N 3.33Å; N365-M367 VanDerWaalsContact C-N 3.3Å; N365-M367 PolarHBondContact O-N 3.02Å; N365-T368 PolarHBondContact O-N 3.45Å; N365-T369 VanDerWaalsContact O-CB 3.24Å; N365-T369 WeakPolarHBondContact O-CB 3.34Å; N365-T369 PolarHBondContact O-N 3.15Å; N365-T369 PolarHBondContact O-OG1 2.86Å; N365-T369 PolarHBondContact OD1-OG1 3.32Å |
| 366 | A | 96.3 | Very high | 89.8 | Confident | 5 Ų | 5 | 70.6 Ų | 70.6 | 4% | 0.041 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60 | -42.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L54 R55 W362 E363 L364 T368 | L54-A366 HydrophobicContact CB-CB 4.49Å; L54-A366 HydrophobicContact CD1-CB 4.17Å; L54-A366 HydrophobicContact CG-CB 4.45Å; R55-A366 PolarHBondContact NH1-O 3.42Å; W362-A366 WeakPolarHBondContact O-CB 3.29Å; W362-A366 PolarHBondContact O-N 2.54Å; E363-A366 WeakPolarHBondContact O-CB 3.4Å; E363-A366 PolarHBondContact O-N 2.84Å; L364-A366 VanDerWaalsContact C-N 3.31Å; L364-A366 PolarHBondContact O-N 3.37Å; A366-T368 PolarHBondContact O-N 3.1Å |
| 367 | M | 96.6 | Very high | 87.2 | Confident | 14 Ų | 14 | 74.4 Ų | 74.4 | 7% | 0.069 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -74.6 | -17.6 | -178.3 | -69.1 | 174.5 | 67.6 | 0 | 0 | 114.7 | T5 V6 L8 L54 K343 L344 I347 E363 L364 N365 | T5-M367 VanDerWaalsContact O-CE 3.24Å; T5-M367 WeakPolarHBondContact O-CE 3.14Å; V6-M367 HydrophobicContact CG2-CE 4.07Å; V6-M367 HydrophobicContact CG2-CG 4.06Å; L8-M367 WeakPolarHBondContact CD2-O 3.11Å; L54-M367 HydrophobicContact CD1-CB 4.36Å; L54-M367 HydrophobicContact CD1-CG 3.73Å; K343-M367 HydrophobicContact CB-SD 4.36Å; K343-M367 HydrophobicContact CD-SD 4.12Å; L344-M367 HydrophobicContact CD2-CE 3.76Å; I347-M367 HydrophobicContact CD1-CB 4.02Å; I347-M367 HydrophobicContact CD1-CE 4.04Å; I347-M367 HydrophobicContact CD1-SD 4.49Å; E363-M367 VanDerWaalsContact O-CG 3.24Å; E363-M367 WeakPolarHBondContact O-CG 3.22Å; E363-M367 PolarHBondContact O-N 3.29Å; L364-M367 PolarHBondContact O-N 2.98Å; L364-M367 VanDerWaalsContact O-N 3.1Å; N365-M367 VanDerWaalsContact C-N 3.3Å; N365-M367 PolarHBondContact O-N 3.02Å |
| 368 | T | 95.4 | Very high | 84.3 | Confident | 69 Ų | 69 | 76.7 Ų | 76.7 | 42% | 0.423 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -116.5 | -17.2 | -175.1 | 57.1 | 0 | 0 | 0 | 0 | 114.7 | I347 L364 N365 A366 | I347-T368 HydrophobicContact CD1-CG2 3.79Å; I347-T368 HydrophobicContact CG1-CG2 3.85Å; I347-T368 HydrophobicContact CG2-CG2 4.06Å; L364-T368 PolarHBondContact O-N 2.88Å; L364-T368 VanDerWaalsContact O-N 3.13Å; L364-T368 PolarHBondContact O-OG1 3.47Å; L364-T368 VanDerWaalsContact O-OG1 3.05Å; N365-T368 PolarHBondContact O-N 3.45Å; A366-T368 PolarHBondContact O-N 3.1Å |
| 369 | T | 95.1 | Very high | 81.3 | Confident | 59 Ų | 59 | 75.5 Ų | 75.5 | 36% | 0.362 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -90.6 | 119.2 | -180 | -73.8 | 0 | 0 | 0 | 0 | 111.3 | L8 R55 N365 | L8-T369 WeakPolarHBondContact CD2-O 3.46Å; R55-T369 PolarHBondContact NH1-O 2.8Å; R55-T369 PolarHBondContact NH2-O 3.09Å; N365-T369 VanDerWaalsContact O-CB 3.24Å; N365-T369 WeakPolarHBondContact O-CB 3.34Å; N365-T369 PolarHBondContact O-N 3.15Å; N365-T369 PolarHBondContact O-OG1 2.86Å; N365-T369 PolarHBondContact OD1-OG1 3.32Å |
| 370 | N | 93.8 | Very high | 78.1 | Confident | 87 Ų | 87 | 75.8 Ų | 75.8 | 47% | 0.465 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 156.9 | 179.3 | -68.7 | -28.4 | 0 | 0 | 0 | 112.8 | E9 | E9-N370 HydrophobicContact CB-CB 4.36Å; E9-N370 PolarHBondContact N-OD1 3.26Å; E9-N370 WeakPolarHBondContact O-CB 3.44Å |
| 371 | S | 91.1 | Very high | 75.1 | Confident | 15 Ų | 15 | 79.9 Ų | 79.9 | 11% | 0.105 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -80.5 | 167.4 | 168.1 | -66.1 | 0 | 0 | 0 | 0 | 110.6 | E9 G10 | E9-S371 PolarHBondContact O-N 3.35Å; G10-S371 WeakPolarHBondContact CA-O 3.5Å; G10-S371 CarbonylContact O-C 3.59Å; G10-S371 VanDerWaalsContact O-CB 3.32Å; G10-S371 WeakPolarHBondContact O-CB 3.42Å |
| 372 | N | 88.1 | Confident | 72.1 | Confident | 138 Ų | 138 | 82 Ų | 82 | 74% | 0.738 | 44% | 0.442 | S | S | * | . | trans | -133 | 42 | 178.1 | -166.4 | 15.5 | 0 | 0 | 0 | 111.5 | G10 | G10-N372 PolarHBondContact O-N 3.29Š| ||
| 373 | I | 85.5 | Confident | 69 | Low | 54 Ų | 54 | 81.1 Ų | 81.1 | 28% | 0.277 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -79.7 | -48.2 | 179.9 | -65.5 | -63.1 | 0 | 0 | 0 | 110.6 | G10 P12 W56 K58 | G10-I373 PolarHBondContact O-N 2.79Å; P12-I373 HydrophobicContact CB-CG2 4.5Å; W56-I373 HydrophobicContact CB-CD1 4.23Å; W56-I373 HydrophobicContact CB-CG1 3.54Å; K58-I373 HydrophobicContact CB-CD1 4.41Å |
| 374 | S | 78.6 | Confident | 65.9 | Low | 20 Ų | 20 | 88 Ų | 88 | 14% | 0.14 | 49% | 0.485 | C | S | . | . | S | Bend | trans | -92.8 | 133.8 | 175.3 | -56.1 | 0 | 0 | 0 | 0 | 109 | G11 R13 | G11-S374 WeakPolarHBondContact O-CB 3.5Å; G11-S374 PolarHBondContact O-OG 3.04Å; R13-S374 PolarHBondContact N-OG 3.38Å |
| 375 | R | 55.5 | Low | 62.9 | Low | 219 Ų | 219 | 93.4 Ų | 93.4 | 83% | 0.826 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 142.1 | 169.5 | -68.2 | -175.2 | 179.8 | -176.3 | -0.1 | 108.7 | ||
| 376 | P | 44.5 | Very low | 59.9 | Low | 100 Ų | 100 | 96 Ų | 96 | 65% | 0.649 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -52.9 | 144.5 | 167.5 | -19.9 | 30 | 0 | 0 | 0 | 109.5 | V378 | P376-V378 PolarHBondContact O-N 3.33Š|
| 377 | I | 42.3 | Very low | 57.3 | Low | 123 Ų | 123 | 101.3 Ų | 101.3 | 63% | 0.631 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 116.1 | 159.6 | -64.7 | 164.1 | 0 | 0 | 0 | 103.2 | R13 S379 | R13-I377 VanDerWaalsContact NH1-CD1 3.35Å; I377-S379 VanDerWaalsContact C-N 3.33Å; I377-S379 PolarHBondContact O-N 3.22Å |
| 378 | V | 35.5 | Very low | 54.8 | Low | 122 Ų | 122 | 109.1 Ų | 109.1 | 74% | 0.739 | 64% | 0.639 | S | S | * | * | trans | -58.1 | 107.9 | 166.3 | -179.8 | 0 | 0 | 0 | 0 | 104.8 | P376 S380 | P376-V378 PolarHBondContact O-N 3.33Å; V378-S380 PolarHBondContact O-N 2.84Å; V378-S380 VanDerWaalsContact O-N 3.07Å | ||
| 379 | S | 34.3 | Very low | 52.8 | Low | 107 Ų | 107 | 111.1 Ų | 111.1 | 75% | 0.748 | 65% | 0.65 | S | S | * | * | trans | -55.6 | 115.4 | 161.4 | 50.9 | 0 | 0 | 0 | 0 | 106 | I377 | I377-S379 VanDerWaalsContact C-N 3.33Å; I377-S379 PolarHBondContact O-N 3.22Å | ||
| 380 | S | 28.3 | Very low | 50.6 | Low | 84 Ų | 84 | 113.8 Ų | 113.8 | 59% | 0.587 | 67% | 0.665 | S | S | * | * | trans | 14.6 | 134 | 169.5 | -167.7 | 0 | 0 | 0 | 0 | 119.1 | V378 F382 | V378-S380 PolarHBondContact O-N 2.84Å; V378-S380 VanDerWaalsContact O-N 3.07Å; S380-F382 PolarHBondContact O-N 2.82Å | ||
| 381 | P | 33 | Very low | 48.2 | Very low | 113 Ų | 113 | 115.3 Ų | 115.3 | 73% | 0.734 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -77 | 67.4 | 177.3 | 36.2 | -35.1 | 0 | 0 | 0 | 111.5 | ||
| 382 | F | 33.8 | Very low | 45.6 | Very low | 150 Ų | 150 | 121.2 Ų | 121.2 | 66% | 0.658 | 71% | 0.71 | S | S | * | * | trans | -143.5 | 65.8 | 167.7 | -71.7 | -74.8 | 0 | 0 | 0 | 110.8 | S380 Y384 | S380-F382 PolarHBondContact O-N 2.82Å; F382-Y384 HydrophobicContact CD1-CE2 4.07Å | ||
| 383 | A | 30.8 | Very low | 43 | Very low | 98 Ų | 98 | 120.2 Ų | 120.2 | 81% | 0.81 | 71% | 0.708 | S | S | * | * | trans | -104.5 | 97.7 | 152.3 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 384 | Y | 31.7 | Very low | 40.1 | Very low | 188 Ų | 188 | 124.6 Ų | 124.6 | 74% | 0.737 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 140.3 | 167.6 | -76.4 | -86.2 | 0 | 0 | 0 | 109.2 | F382 V386 | F382-Y384 HydrophobicContact CD1-CE2 4.07Å; Y384-V386 PolarHBondContact O-N 2.48Å |
| 385 | P | 33.5 | Very low | 37.4 | Very low | 113 Ų | 113 | 132.1 Ų | 132.1 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 130.9 | 175.5 | 27.3 | -31 | 0 | 0 | 0 | 109.6 | P387 | P385-P387 WeakPolarHBondContact O-CD 3.39Š|
| 386 | V | 34.7 | Very low | 36 | Very low | 138 Ų | 138 | 125.4 Ų | 125.4 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 122.3 | 166.7 | -176.4 | 0 | 0 | 0 | 0 | 107.2 | Y384 | Y384-V386 PolarHBondContact O-N 2.48Š|
| 387 | P | 40.9 | Very low | 35.3 | Very low | 117 Ų | 117 | 127.5 Ų | 127.5 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 152.5 | 172.8 | -8.4 | 24.7 | 0 | 0 | 0 | 110.7 | P385 | P385-P387 WeakPolarHBondContact O-CD 3.39Š|
| 388 | A | 44.9 | Very low | 34.7 | Very low | 177 Ų | 177 | 127.9 Ų | 127.9 | 100% | 1.463 | 80% | 0.801 | S | S | * | * | trans | -50.5 | 0 | -173.8 | 0 | 0 | 0 | 0 | 0 | 116.1 |
Retrieved 388 of 388 residues in 351 ms
(Link to these results)