A0A077ZKY4_TRITR Loading...

Aldehyde dehydrogenase

AlphaFold DB , UniProt , Accession A0A077ZKY4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 496 aa.

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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
1M36.3Very low81.7Confident243 Ų24373.1 Ų73.1100%1.19741%0.406SS*.  0118.20-69.3172177.700106.1S3M1-S3 PolarHBondContact O-N 3.23Å
2S52.5Low83.1Confident120 Ų12067 Ų6784%0.83937%0.372SS*.PPolyproline II helixtrans-59.8135.4171.1490000107.5
3S60.1Low84.3Confident44 Ų4465.2 Ų65.231%0.30836%0.356SS..PPolyproline II helixtrans-55.4144.7171.962.80000108.4M1 E7M1-S3 PolarHBondContact O-N 3.23Å; S3-E7 VanDerWaalsContact CA-OE2 3.25Å; S3-E7 WeakPolarHBondContact CA-OE2 3.42Å; S3-E7 WeakPolarHBondContact CB-OE2 3.41Å
4S84Confident85.3Confident55 Ų5569.7 Ų69.739%0.38537%0.371SS..PPolyproline II helixtrans-56.1156.5173.466.20000110.5A6 E7 A8S4-A6 PolarHBondContact O-N 2.92Å; S4-E7 PolarHBondContact N-OE2 3.41Å; S4-E7 PolarHBondContact O-N 3.44Å; S4-E7 VanDerWaalsContact O-N 3.14Å; S4-E7 VanDerWaalsContact OG-CG 3.31Å; S4-E7 WeakPolarHBondContact OG-CG 3.41Å; S4-E7 PolarHBondContact OG-N 3.17Å; S4-A8 PolarHBondContact O-N 3.02Å; S4-A8 VanDerWaalsContact O-N 3.11Å
5C89.3Confident86.2Confident23 Ų2365.9 Ų65.916%0.15535%0.352CS..Hα-helixtrans-54.6-41175.250.30000111.2E7 A8 V9 F182 L192C5-E7 PolarHBondContact O-N 3.05Å; C5-A8 PolarHBondContact O-N 3.04Å; C5-V9 WeakPolarHBondContact O-CG2 3.41Å; C5-V9 PolarHBondContact O-N 3Å; C5-F182 HydrophobicContact CB-CD2 4.33Å; C5-F182 HydrophobicContact CB-CE2 3.76Å; C5-F182 HydrophobicContact CB-CZ 4.22Å; C5-L192 HydrophobicContact CB-CD1 3.86Å
6A93.4Very high86.9Confident37 Ų3764.2 Ų64.231%0.30634%0.34SS..Hα-helixtrans-57.5-47.1174.900000113S4 A8 V9 E10S4-A6 PolarHBondContact O-N 2.92Å; A6-A8 VanDerWaalsContact C-N 3.31Å; A6-A8 PolarHBondContact O-N 3.32Å; A6-V9 PolarHBondContact O-N 3.12Å; A6-E10 WeakPolarHBondContact O-CB 3.29Å; A6-E10 PolarHBondContact O-N 2.52Å
7E95.4Very high87.6Confident115 Ų11568.4 Ų68.454%0.53736%0.357SS..Hα-helixtrans-62.3-38177.7-78.6169.8-167.600112.5S3 S4 C5 R11S3-E7 VanDerWaalsContact CA-OE2 3.25Å; S3-E7 WeakPolarHBondContact CA-OE2 3.42Å; S3-E7 WeakPolarHBondContact CB-OE2 3.41Å; S4-E7 PolarHBondContact N-OE2 3.41Å; S4-E7 PolarHBondContact O-N 3.44Å; S4-E7 VanDerWaalsContact O-N 3.14Å; S4-E7 VanDerWaalsContact OG-CG 3.31Å; S4-E7 WeakPolarHBondContact OG-CG 3.41Å; S4-E7 PolarHBondContact OG-N 3.17Å; C5-E7 PolarHBondContact O-N 3.05Å; E7-R11 WeakPolarHBondContact O-CB 3.34Å; E7-R11 PolarHBondContact O-N 2.87Å
8A95.6Very high88.2Confident6 Ų669.2 Ų69.25%0.0537%0.37CS..Hα-helixtrans-68.2-45.217700000111.5S4 C5 A6 E10 R11 L12 M152S4-A8 PolarHBondContact O-N 3.02Å; S4-A8 VanDerWaalsContact O-N 3.11Å; C5-A8 PolarHBondContact O-N 3.04Å; A6-A8 VanDerWaalsContact C-N 3.31Å; A6-A8 PolarHBondContact O-N 3.32Å; A8-E10 PolarHBondContact O-N 3.09Å; A8-R11 PolarHBondContact O-N 2.69Å; A8-L12 WeakPolarHBondContact O-CG 3.39Å; A8-L12 PolarHBondContact O-N 2.62Å; A8-M152 HydrophobicContact CB-CE 3.69Å
9V97.4Very high88.7Confident4 Ų466.5 Ų66.52%0.02436%0.36CS..Hα-helixtrans-61.5-43.6176.4173.60000111.2C5 A6 R11 L12 R13 M152 E195 F197C5-V9 WeakPolarHBondContact O-CG2 3.41Å; C5-V9 PolarHBondContact O-N 3Å; A6-V9 PolarHBondContact O-N 3.12Å; V9-R11 VanDerWaalsContact C-N 3.34Å; V9-R11 PolarHBondContact O-N 3.24Å; V9-L12 PolarHBondContact O-N 3.33Å; V9-R13 WeakPolarHBondContact O-CB 3.4Å; V9-R13 PolarHBondContact O-N 3.5Å; V9-M152 HydrophobicContact CG2-CE 3.82Å; V9-E195 HydrophobicContact CG1-CB 4.45Å; V9-E195 HydrophobicContact CG2-CB 4.01Å; V9-E195 HydrophobicContact CG2-CG 4.2Å; V9-F197 HydrophobicContact CG2-CE1 3.85Å; V9-F197 HydrophobicContact CG2-CE2 4.45Å; V9-F197 HydrophobicContact CG2-CZ 3.59Å
10E97.5Very high89.2Confident85 Ų8566.1 Ų66.140%0.39736%0.355SS..Hα-helixtrans-64.4-38.1178.1-178.256.1-158.200112.1A6 A8 R13 K14A6-E10 WeakPolarHBondContact O-CB 3.29Å; A6-E10 PolarHBondContact O-N 2.52Å; A8-E10 PolarHBondContact O-N 3.09Å; E10-R13 PolarHBondContact O-N 3.2Å; E10-K14 WeakPolarHBondContact O-CG 3.34Å; E10-K14 PolarHBondContact O-N 3.04Å; E10-K14 WeakPolarHBondContact OE1-CE 3.47Å
11R97.7Very high89.6Confident72 Ų7263 Ų6327%0.27234%0.338SS..Hα-helixtrans-62.7-44.9174-179.3177.161.8-114.40.4112.2E7 A8 V9 R13 T15 K176 D177E7-R11 WeakPolarHBondContact O-CB 3.34Å; E7-R11 PolarHBondContact O-N 2.87Å; A8-R11 PolarHBondContact O-N 2.69Å; V9-R11 VanDerWaalsContact C-N 3.34Å; V9-R11 PolarHBondContact O-N 3.24Å; R11-R13 VanDerWaalsContact C-N 3.32Å; R11-T15 PolarHBondContact O-N 3.3Å; R11-T15 PolarHBondContact O-OG1 3.14Å; R11-K176 PolarHBondContact NE-O 3.46Å; R11-K176 PolarHBondContact NH2-O 3.37Å; R11-D177 HydrophobicContact CG-CB 4.08Å
12L98.4Very high92.4Very high0 Ų056.6 Ų56.60%031%0.305CS..Hα-helixtrans-61.3-43.4175.5-64.9177.2000110.7A8 V9 T15 F16 V123 C150 M152 D177 T180A8-L12 WeakPolarHBondContact O-CG 3.39Å; A8-L12 PolarHBondContact O-N 2.62Å; V9-L12 PolarHBondContact O-N 3.33Å; L12-T15 WeakPolarHBondContact O-CB 3.5Å; L12-T15 PolarHBondContact O-N 3.01Å; L12-F16 PolarHBondContact O-N 2.9Å; L12-V123 HydrophobicContact CB-CG1 3.84Å; L12-V123 HydrophobicContact CB-CG2 4.01Å; L12-V123 HydrophobicContact CD1-CG1 3.74Å; L12-V123 HydrophobicContact CG-CG1 4.46Å; L12-C150 HydrophobicContact CB-CB 3.91Å; L12-C150 HydrophobicContact CD2-CB 4.15Å; L12-C150 HydrophobicContact CG-CB 4.49Å; L12-M152 HydrophobicContact CD1-CB 4.08Å; L12-M152 HydrophobicContact CD1-CE 4.33Å; L12-D177 WeakPolarHBondContact CD2-O 3.42Å; L12-T180 HydrophobicContact CD1-CG2 4.07Å; L12-T180 HydrophobicContact CD2-CG2 4.36Å; L12-T180 HydrophobicContact CG-CG2 4.47Å
13R98.4Very high94.6Very high43 Ų4354.3 Ų54.316%0.16229%0.288CS..Hα-helixtrans-62.4-45-179.9-172.9173-69.7-113.5-12.7112.5V9 E10 R11 T15 F16 Q17 V123 R196V9-R13 WeakPolarHBondContact O-CB 3.4Å; V9-R13 PolarHBondContact O-N 3.5Å; E10-R13 PolarHBondContact O-N 3.2Å; R11-R13 VanDerWaalsContact C-N 3.32Å; R13-T15 VanDerWaalsContact C-N 3.29Å; R13-T15 PolarHBondContact O-N 2.93Å; R13-F16 PolarHBondContact O-N 2.78Å; R13-Q17 WeakPolarHBondContact O-CB 3.33Å; R13-Q17 VanDerWaalsContact O-CG 3.28Å; R13-Q17 WeakPolarHBondContact O-CG 3.33Å; R13-Q17 PolarHBondContact O-N 2.93Å; R13-V123 HydrophobicContact CB-CG2 3.94Å; R13-R196 PolarHBondContact NH2-O 3.33Å
14K98.3Very high96.4Very high129 Ų12955.1 Ų55.156%0.56129%0.288SS*.Hα-helixtrans-58.8-41.9173.9-75177.7-178174.30111.9E10 Q17 S18E10-K14 WeakPolarHBondContact O-CG 3.34Å; E10-K14 PolarHBondContact O-N 3.04Å; E10-K14 WeakPolarHBondContact OE1-CE 3.47Å; K14-Q17 PolarHBondContact O-N 2.94Å; K14-S18 PolarHBondContact O-N 3.17Å
15T98.4Very high97.1Very high13 Ų1356.1 Ų56.18%0.0830%0.3CS..Hα-helixtrans-64.7-45.1178.3-55.90000111.5R11 L12 R13 Q17 S18 K20 D177R11-T15 PolarHBondContact O-N 3.3Å; R11-T15 PolarHBondContact O-OG1 3.14Å; L12-T15 WeakPolarHBondContact O-CB 3.5Å; L12-T15 PolarHBondContact O-N 3.01Å; R13-T15 VanDerWaalsContact C-N 3.29Å; R13-T15 PolarHBondContact O-N 2.93Å; T15-Q17 PolarHBondContact O-N 3.39Å; T15-S18 PolarHBondContact O-N 2.64Å; T15-S18 PolarHBondContact O-OG 3.17Å; T15-K20 HydrophobicContact CG2-CB 4.33Å; T15-K20 HydrophobicContact CG2-CD 3.57Å; T15-D177 WeakPolarHBondContact CB-O 3.29Å; T15-D177 HydrophobicContact CG2-CB 4.32Å; T15-D177 WeakPolarHBondContact CG2-O 3.49Å; T15-D177 VanDerWaalsContact OG1-CB 3.3Å; T15-D177 WeakPolarHBondContact OG1-CB 3.43Å; T15-D177 PolarHBondContact OG1-O 2.89Å
16F98.5Very high97.5Very high38 Ų3856.9 Ų56.917%0.16730%0.3CS..Hα-helixtrans-59.4-47.8174.6-179.1-106000112.1L12 R13 S18 G19 P120 G122L12-F16 PolarHBondContact O-N 2.9Å; R13-F16 PolarHBondContact O-N 2.78Å; F16-S18 VanDerWaalsContact C-N 3.26Å; F16-S18 PolarHBondContact O-N 3.21Å; F16-G19 PolarHBondContact O-N 3.41Å; F16-P120 HydrophobicContact CE2-CB 3.7Å; F16-P120 HydrophobicContact CE2-CG 3.56Å; F16-P120 HydrophobicContact CZ-CB 4.18Å; F16-P120 HydrophobicContact CZ-CG 3.95Å; F16-G122 VanDerWaalsContact CE1-CA 3.49Å; F16-G122 VanDerWaalsContact CZ-CA 3.49Å
17Q98.2Very high97.8Very high135 Ų13556.1 Ų56.163%0.63129%0.289SS*.Hα-helixtrans-64.4-27.3-179.4-73.1174.7-8.500113.6R13 K14 T15 G19R13-Q17 WeakPolarHBondContact O-CB 3.33Å; R13-Q17 VanDerWaalsContact O-CG 3.28Å; R13-Q17 WeakPolarHBondContact O-CG 3.33Å; R13-Q17 PolarHBondContact O-N 2.93Å; K14-Q17 PolarHBondContact O-N 2.94Å; T15-Q17 PolarHBondContact O-N 3.39Å; Q17-G19 PolarHBondContact O-N 2.95Å
18S98.2Very high97.9Very high84 Ų8453.7 Ų53.759%0.58728%0.279SS*.THydrogen-bonded Turntrans-65.3-15.2173.878.10000113.6K14 T15 F16 K20K14-S18 PolarHBondContact O-N 3.17Å; T15-S18 PolarHBondContact O-N 2.64Å; T15-S18 PolarHBondContact O-OG 3.17Å; F16-S18 VanDerWaalsContact C-N 3.26Å; F16-S18 PolarHBondContact O-N 3.21Å; S18-K20 VanDerWaalsContact C-N 3.27Å; S18-K20 PolarHBondContact O-N 2.94Å; S18-K20 WeakPolarHBondContact OG-CB 3.3Å; S18-K20 PolarHBondContact OG-N 3.45Å
19G97.6Very high98.1Very high18 Ų1855.4 Ų55.419%0.18629%0.293CS..THydrogen-bonded Turntrans80.8-0.2-174.900000114.3F16 Q17 T21 Q22 P23F16-G19 PolarHBondContact O-N 3.41Å; Q17-G19 PolarHBondContact O-N 2.95Å; G19-T21 PolarHBondContact O-N 2.75Å; G19-T21 VanDerWaalsContact O-N 3.12Å; G19-Q22 WeakPolarHBondContact O-CB 3.45Å; G19-Q22 PolarHBondContact O-N 3.32Å; G19-P23 WeakPolarHBondContact O-CD 3.18Å
20K98Very high98.1Very high57 Ų5755.3 Ų55.325%0.24829%0.293CS..THydrogen-bonded Turntrans-49.1-39.8-179.9-176-169.3-174.2-171.90113.4T15 S18 P23 Y26 E175 D177T15-K20 HydrophobicContact CG2-CB 4.33Å; T15-K20 HydrophobicContact CG2-CD 3.57Å; S18-K20 VanDerWaalsContact C-N 3.27Å; S18-K20 PolarHBondContact O-N 2.94Å; S18-K20 WeakPolarHBondContact OG-CB 3.3Å; S18-K20 PolarHBondContact OG-N 3.45Å; K20-P23 WeakPolarHBondContact O-CD 3.44Å; K20-Y26 HydrophobicContact CD-CE2 4.19Å; K20-Y26 VanDerWaalsContact CE-OH 3.29Å; K20-Y26 WeakPolarHBondContact CE-OH 3.11Å; K20-Y26 HydrophobicContact CG-CD2 4.32Å; K20-Y26 HydrophobicContact CG-CE2 3.87Å; K20-E175 WeakPolarHBondContact CE-OE2 3.36Å; K20-E175 IonicContact NZ-OE2 3.67Å; K20-E175 PolarHBondContact NZ-OE2 3.43Å; K20-D177 IonicContact NZ-OD1 2.74Å; K20-D177 PolarHBondContact NZ-OD1 3.33Å; K20-D177 IonicContact NZ-OD2 3.92Å; K20-D177 PolarHBondContact NZ-OD2 2.93Å
21T98Very high98.2Very high2 Ų251.2 Ų51.21%0.01227%0.274CS..THydrogen-bonded Turntrans-84.9-8.6-176.164.80000114.3G19 Y26 R27 G148G19-T21 PolarHBondContact O-N 2.75Å; G19-T21 VanDerWaalsContact O-N 3.12Å; T21-Y26 HydrophobicContact CG2-CD1 4.38Å; T21-Y26 HydrophobicContact CG2-CE1 3.88Å; T21-R27 WeakPolarHBondContact O-CG 3.14Å; T21-R27 PolarHBondContact O-NE 2.92Å; T21-G148 WeakPolarHBondContact CB-O 3.48Å; T21-G148 PolarHBondContact OG1-O 2.95Å
22Q95.6Very high98.2Very high108 Ų10852.3 Ų52.351%0.50528%0.282SS..  trans-71.9-42.1-175.1-62.7-177.313.800114.2G19 R27G19-Q22 WeakPolarHBondContact O-CB 3.45Å; G19-Q22 PolarHBondContact O-N 3.32Å; Q22-R27 PolarHBondContact O-NE 3.22Å; Q22-R27 VanDerWaalsContact O-NE 3.08Å; Q22-R27 PolarHBondContact O-NH2 3.36Å
23P97.9Very high98.2Very high72 Ų7256.4 Ų56.447%0.46830%0.297SS..SBendtrans-62.5136.9-178.1-24.535.3000112.9G19 K20 A25 Y26 R27G19-P23 WeakPolarHBondContact O-CD 3.18Å; K20-P23 WeakPolarHBondContact O-CD 3.44Å; P23-A25 PolarHBondContact O-N 3.02Å; P23-Y26 WeakPolarHBondContact O-CB 3.5Å; P23-Y26 PolarHBondContact O-N 3.24Å; P23-R27 PolarHBondContact O-N 3.36Å
24L97.9Very high98.2Very high62 Ų6254.3 Ų54.333%0.32529%0.29SS..Hα-helixtrans-57.3-37.1178.3-68.6171.1000112.8Y26 R27 L28 L94 S98L24-Y26 VanDerWaalsContact C-N 3.27Å; L24-Y26 PolarHBondContact O-N 2.95Å; L24-R27 PolarHBondContact O-N 2.82Å; L24-L28 WeakPolarHBondContact O-CG 3.39Å; L24-L28 PolarHBondContact O-N 3.08Å; L24-L94 HydrophobicContact CD2-CD1 4.25Å; L24-L94 HydrophobicContact CD2-CD2 4.27Å; L24-L94 HydrophobicContact CD2-CG 3.89Å; L24-S98 WeakPolarHBondContact CD2-OG 3.49Å
25A98.4Very high98.3Very high76 Ų7650.9 Ų50.963%0.62828%0.275SS*.Hα-helixtrans-59.3-39177.500000112.2P23 A29P23-A25 PolarHBondContact O-N 3.02Å; A25-A29 WeakPolarHBondContact O-CB 3.35Å; A25-A29 PolarHBondContact O-N 3.05Å
26Y98.5Very high98.3Very high39 Ų3952.5 Ų52.515%0.15328%0.284CS..Hα-helixtrans-65.5-46.3176.7-173.4-93.1000111.2K20 T21 P23 L24 A29 Q30 T178K20-Y26 HydrophobicContact CD-CE2 4.19Å; K20-Y26 VanDerWaalsContact CE-OH 3.29Å; K20-Y26 WeakPolarHBondContact CE-OH 3.11Å; K20-Y26 HydrophobicContact CG-CD2 4.32Å; K20-Y26 HydrophobicContact CG-CE2 3.87Å; T21-Y26 HydrophobicContact CG2-CD1 4.38Å; T21-Y26 HydrophobicContact CG2-CE1 3.88Å; P23-Y26 WeakPolarHBondContact O-CB 3.5Å; P23-Y26 PolarHBondContact O-N 3.24Å; L24-Y26 VanDerWaalsContact C-N 3.27Å; L24-Y26 PolarHBondContact O-N 2.95Å; Y26-A29 WeakPolarHBondContact O-CB 3.37Å; Y26-A29 PolarHBondContact O-N 3.48Å; Y26-A29 VanDerWaalsContact O-N 3.17Å; Y26-Q30 HydrophobicContact CD1-CG 3.97Å; Y26-Q30 HydrophobicContact CE1-CG 3.66Å; Y26-Q30 WeakPolarHBondContact O-CG 3.38Å; Y26-Q30 PolarHBondContact O-N 3.45Å; Y26-T178 HydrophobicContact CE1-CG2 3.99Å; Y26-T178 PolarHBondContact OH-OG1 3.32Å
27R98.6Very high98.3Very high20 Ų2050.7 Ų50.78%0.07528%0.276CS..Hα-helixtrans-61.9-45.8-179.6-55.4-175.4-155.3-171.3-2.1111.8T21 Q22 P23 L24 A29 Q30 L31 L94 A146 A147T21-R27 WeakPolarHBondContact O-CG 3.14Å; T21-R27 PolarHBondContact O-NE 2.92Å; Q22-R27 PolarHBondContact O-NE 3.22Å; Q22-R27 VanDerWaalsContact O-NE 3.08Å; Q22-R27 PolarHBondContact O-NH2 3.36Å; P23-R27 PolarHBondContact O-N 3.36Å; L24-R27 PolarHBondContact O-N 2.82Å; R27-A29 VanDerWaalsContact C-N 3.29Å; R27-A29 PolarHBondContact O-N 3.14Å; R27-Q30 PolarHBondContact O-N 2.95Å; R27-Q30 VanDerWaalsContact O-N 3.14Å; R27-L31 WeakPolarHBondContact O-CG 3.4Å; R27-L31 PolarHBondContact O-N 3.43Å; R27-L94 HydrophobicContact CB-CD2 3.82Å; R27-A146 WeakPolarHBondContact CD-O 3.25Å; R27-A146 PolarHBondContact NH1-O 3.24Å; R27-A146 VanDerWaalsContact NH1-O 3.11Å; R27-A147 VanDerWaalsContact CZ-O 3.22Å; R27-A147 PolarHBondContact NH1-O 2.99Å
28L98.7Very high98.3Very high64 Ų6444.2 Ų44.234%0.33525%0.246SC..Hα-helixtrans-59.8-39.7174.4-69.8170000111.7L24 Q30 L31 Q32 T91 L94L24-L28 WeakPolarHBondContact O-CG 3.39Å; L24-L28 PolarHBondContact O-N 3.08Å; L28-Q30 VanDerWaalsContact C-N 3.34Å; L28-Q30 PolarHBondContact O-N 2.94Å; L28-L31 PolarHBondContact O-N 3.27Å; L28-Q32 WeakPolarHBondContact O-CB 3.44Å; L28-Q32 PolarHBondContact O-N 3.46Å; L28-T91 HydrophobicContact CD2-CG2 4.09Å; L28-L94 HydrophobicContact CD2-CB 4.41Å; L28-L94 HydrophobicContact CD2-CD2 3.89Å; L28-L94 HydrophobicContact CG-CD2 4.03Å
29A98.6Very high98.2Very high42 Ų4244.6 Ų44.635%0.34724%0.241SC..Hα-helixtrans-64.1-37.5175.600000112.4A25 Y26 R27 Q32 R33A25-A29 WeakPolarHBondContact O-CB 3.35Å; A25-A29 PolarHBondContact O-N 3.05Å; Y26-A29 WeakPolarHBondContact O-CB 3.37Å; Y26-A29 PolarHBondContact O-N 3.48Å; Y26-A29 VanDerWaalsContact O-N 3.17Å; R27-A29 VanDerWaalsContact C-N 3.29Å; R27-A29 PolarHBondContact O-N 3.14Å; A29-Q32 PolarHBondContact O-N 3.29Å; A29-R33 VanDerWaalsContact O-CG 3.29Å; A29-R33 WeakPolarHBondContact O-CG 3.48Å; A29-R33 PolarHBondContact O-N 3.47Å
30Q98.7Very high98.2Very high2 Ų249.7 Ų49.71%0.00926%0.26CS..Hα-helixtrans-67.1-41.3175.3-58.5-44.3-55.400112.2Y26 R27 L28 Q32 R33 M34 L145 F174 T178Y26-Q30 HydrophobicContact CD1-CG 3.97Å; Y26-Q30 HydrophobicContact CE1-CG 3.66Å; Y26-Q30 WeakPolarHBondContact O-CG 3.38Å; Y26-Q30 PolarHBondContact O-N 3.45Å; R27-Q30 PolarHBondContact O-N 2.95Å; R27-Q30 VanDerWaalsContact O-N 3.14Å; L28-Q30 VanDerWaalsContact C-N 3.34Å; L28-Q30 PolarHBondContact O-N 2.94Å; Q30-Q32 VanDerWaalsContact C-N 3.35Å; Q30-R33 PolarHBondContact O-N 3.09Å; Q30-M34 PolarHBondContact O-N 2.95Å; Q30-L145 HydrophobicContact CB-CB 4.5Å; Q30-L145 HydrophobicContact CB-CD1 4.12Å; Q30-L145 HydrophobicContact CB-CD2 4.15Å; Q30-L145 HydrophobicContact CG-CD2 4.39Å; Q30-F174 HydrophobicContact CB-CE1 4.24Å; Q30-T178 HydrophobicContact CG-CG2 4.39Å
31L98.8Very high98.1Very high0 Ų047.6 Ų47.60%025%0.252CS..Hα-helixtrans-62-43.2174.4-67-179.6000111.5R27 L28 M34 K35 I87 A90 V142 L145 A146R27-L31 WeakPolarHBondContact O-CG 3.4Å; R27-L31 PolarHBondContact O-N 3.43Å; L28-L31 PolarHBondContact O-N 3.27Å; L31-M34 WeakPolarHBondContact O-CB 3.44Å; L31-M34 PolarHBondContact O-N 3.36Å; L31-K35 PolarHBondContact O-N 3.36Å; L31-I87 HydrophobicContact CB-CG2 4.27Å; L31-A90 HydrophobicContact CD1-CB 3.83Å; L31-V142 HydrophobicContact CD2-CB 4.5Å; L31-V142 HydrophobicContact CD2-CG1 3.91Å; L31-L145 HydrophobicContact CD2-CB 4.27Å; L31-A146 HydrophobicContact CD1-CB 4.42Å
32Q98.7Very high97.9Very high94 Ų9448.1 Ų48.144%0.43926%0.257SS..Hα-helixtrans-64.2-40.7175.9-17659.833.200112.1L28 A29 Q30 M34 K35 V36L28-Q32 WeakPolarHBondContact O-CB 3.44Å; L28-Q32 PolarHBondContact O-N 3.46Å; A29-Q32 PolarHBondContact O-N 3.29Å; Q30-Q32 VanDerWaalsContact C-N 3.35Å; Q32-M34 VanDerWaalsContact C-N 3.3Å; Q32-M34 PolarHBondContact O-N 3.02Å; Q32-K35 WeakPolarHBondContact O-CB 3.11Å; Q32-K35 PolarHBondContact O-N 2.72Å; Q32-V36 WeakPolarHBondContact O-CG2 3.42Å; Q32-V36 PolarHBondContact O-N 2.96Å
33R98.5Very high97.8Very high86 Ų8647.7 Ų47.733%0.32526%0.258SS..Hα-helixtrans-59.2-42173.7-76173.2-178.1-171.40.9111.3A29 Q30 V36 M37 Y173 F174 E175A29-R33 VanDerWaalsContact O-CG 3.29Å; A29-R33 WeakPolarHBondContact O-CG 3.48Å; A29-R33 PolarHBondContact O-N 3.47Å; Q30-R33 PolarHBondContact O-N 3.09Å; R33-V36 PolarHBondContact O-N 3.45Å; R33-M37 WeakPolarHBondContact O-CB 3.48Å; R33-M37 PolarHBondContact O-N 2.84Å; R33-Y173 WeakPolarHBondContact CD-O 3.5Å; R33-F174 HydrophobicContact CB-CE1 4.42Å; R33-F174 HydrophobicContact CB-CZ 4.39Å; R33-E175 IonicContact CZ-OE1 3.48Å; R33-E175 IonicContact NH1-OE1 2.87Å; R33-E175 PolarHBondContact NH1-OE1 2.85Å; R33-E175 IonicContact NH2-OE1 3.09Å; R33-E175 PolarHBondContact NH2-OE1 2.92Å; R33-E175 VanDerWaalsContact NH2-OE1 3.09Å
34M98.7Very high97.6Very high0 Ų048.4 Ų48.40%026%0.255CS..Hα-helixtrans-62.8-43.4175.4-161.4-177.7-60.300112.3Q30 L31 Q32 M37 L38 V83 I87 L138 L141 V142 L145 F174Q30-M34 PolarHBondContact O-N 2.95Å; L31-M34 WeakPolarHBondContact O-CB 3.44Å; L31-M34 PolarHBondContact O-N 3.36Å; Q32-M34 VanDerWaalsContact C-N 3.3Å; Q32-M34 PolarHBondContact O-N 3.02Å; M34-M37 HydrophobicContact CG-CE 4.15Å; M34-M37 WeakPolarHBondContact O-CB 3.39Å; M34-M37 PolarHBondContact O-N 2.93Å; M34-L38 HydrophobicContact CG-CD1 4.34Å; M34-L38 WeakPolarHBondContact O-CG 3.38Å; M34-L38 PolarHBondContact O-N 2.93Å; M34-V83 HydrophobicContact SD-CG1 4.13Å; M34-I87 HydrophobicContact CB-CD1 3.95Å; M34-I87 HydrophobicContact CG-CD1 3.87Å; M34-I87 HydrophobicContact SD-CD1 3.84Å; M34-I87 HydrophobicContact SD-CG1 4.21Å; M34-L138 HydrophobicContact SD-CB 4.42Å; M34-L141 HydrophobicContact CE-CB 4.19Å; M34-L141 HydrophobicContact CE-CD2 3.43Å; M34-L141 VanDerWaalsContact CE-CD2 3.43Å; M34-L141 HydrophobicContact CE-CG 3.5Å; M34-V142 HydrophobicContact CE-CG2 4.27Å; M34-V142 HydrophobicContact SD-CG2 3.75Å; M34-L145 HydrophobicContact CE-CD1 3.46Å; M34-L145 VanDerWaalsContact CE-CD1 3.46Å; M34-F174 HydrophobicContact CB-CZ 3.92Å; M34-F174 HydrophobicContact CE-CZ 4.3Å; M34-F174 HydrophobicContact CG-CZ 4.39Å
35K98.7Very high97.4Very high57 Ų5745.4 Ų45.425%0.24824%0.239CC..Hα-helixtrans-57.6-50.6177.1-173.9169-178170.80111.2L31 Q32 M37 L38 D39 L84 I87 E88L31-K35 PolarHBondContact O-N 3.36Å; Q32-K35 WeakPolarHBondContact O-CB 3.11Å; Q32-K35 PolarHBondContact O-N 2.72Å; K35-M37 VanDerWaalsContact C-N 3.34Å; K35-M37 PolarHBondContact O-N 3.31Å; K35-L38 PolarHBondContact O-N 3.34Å; K35-D39 WeakPolarHBondContact O-CB 3.5Å; K35-D39 PolarHBondContact O-N 3.15Å; K35-L84 HydrophobicContact CG-CD2 4.04Å; K35-I87 HydrophobicContact CB-CD1 4.43Å; K35-I87 HydrophobicContact CB-CG2 4.15Å; K35-E88 IonicContact NZ-OE2 3.85Å; K35-E88 PolarHBondContact NZ-OE2 2.73Å
36V98.7Very high97.2Very high46 Ų4641.9 Ų41.928%0.27921%0.21SC..Hα-helixtrans-60.2-43.6177.2176.70000111.3Q32 R33 L38 D39 E40 Y173Q32-V36 WeakPolarHBondContact O-CG2 3.42Å; Q32-V36 PolarHBondContact O-N 2.96Å; R33-V36 PolarHBondContact O-N 3.45Å; V36-L38 VanDerWaalsContact C-N 3.31Å; V36-L38 PolarHBondContact O-N 2.95Å; V36-D39 PolarHBondContact O-N 3.33Å; V36-E40 HydrophobicContact CG1-CG 4.09Å; V36-E40 WeakPolarHBondContact CG1-OE1 3.21Å; V36-E40 WeakPolarHBondContact O-CB 3.43Å; V36-E40 WeakPolarHBondContact O-CG 3.41Å; V36-E40 PolarHBondContact O-N 2.93Å; V36-Y173 HydrophobicContact CG1-CE1 4.06Å
37M98.7Very high96.9Very high0 Ų042.7 Ų42.70%022%0.215CC..Hα-helixtrans-56-44.8175.8-179.7-170.377.600112.1R33 M34 K35 N41 L138 L169 I170 Y173 F174R33-M37 WeakPolarHBondContact O-CB 3.48Å; R33-M37 PolarHBondContact O-N 2.84Å; M34-M37 HydrophobicContact CG-CE 4.15Å; M34-M37 WeakPolarHBondContact O-CB 3.39Å; M34-M37 PolarHBondContact O-N 2.93Å; K35-M37 VanDerWaalsContact C-N 3.34Å; K35-M37 PolarHBondContact O-N 3.31Å; M37-N41 WeakPolarHBondContact O-CB 3.33Å; M37-N41 PolarHBondContact O-N 3.33Å; M37-N41 PolarHBondContact O-ND2 3.06Å; M37-L138 HydrophobicContact CE-CD1 3.95Å; M37-L169 HydrophobicContact CG-CB 4.09Å; M37-L169 HydrophobicContact SD-CB 3.86Å; M37-I170 HydrophobicContact CE-CD1 4.31Å; M37-I170 HydrophobicContact SD-CD1 4.02Å; M37-Y173 HydrophobicContact CB-CD1 3.78Å; M37-Y173 HydrophobicContact CB-CD2 3.83Å; M37-Y173 HydrophobicContact CB-CE1 4.14Å; M37-Y173 HydrophobicContact CB-CE2 4.18Å; M37-Y173 HydrophobicContact CB-CG 3.63Å; M37-Y173 HydrophobicContact CG-CD1 4.43Å; M37-Y173 HydrophobicContact CG-CD2 3.54Å; M37-Y173 HydrophobicContact CG-CE2 3.9Å; M37-Y173 HydrophobicContact CG-CG 3.85Å; M37-Y173 HydrophobicContact SD-CD2 4.33Å; M37-F174 HydrophobicContact SD-CE2 4.2Å
38L98.2Very high96.7Very high0 Ų042 Ų420%021%0.214CC..Hα-helixtrans-69.3-47.2179.3-69.5169.5000111.7M34 K35 V36 E40 N41 A42 L45 I80 V83 L84 I87 L138M34-L38 HydrophobicContact CG-CD1 4.34Å; M34-L38 WeakPolarHBondContact O-CG 3.38Å; M34-L38 PolarHBondContact O-N 2.93Å; K35-L38 PolarHBondContact O-N 3.34Å; V36-L38 VanDerWaalsContact C-N 3.31Å; V36-L38 PolarHBondContact O-N 2.95Å; L38-E40 PolarHBondContact O-N 3.01Å; L38-N41 PolarHBondContact O-N 2.86Å; L38-A42 PolarHBondContact O-N 3.39Å; L38-L45 HydrophobicContact CD2-CD1 3.76Å; L38-I80 HydrophobicContact CB-CG2 4.27Å; L38-I80 HydrophobicContact CD2-CG2 4.35Å; L38-V83 HydrophobicContact CD1-CB 3.93Å; L38-V83 HydrophobicContact CD1-CG1 3.64Å; L38-L84 HydrophobicContact CB-CD2 3.95Å; L38-L84 HydrophobicContact CB-CG 4.5Å; L38-L84 HydrophobicContact CD1-CD2 3.88Å; L38-L84 HydrophobicContact CD1-CG 4.2Å; L38-I87 HydrophobicContact CD1-CD1 3.69Å; L38-L138 HydrophobicContact CD2-CD1 3.77Å
39D96.6Very high96.5Very high91 Ų9139 Ų3949%0.48720%0.198SC..Hα-helixtrans-61.7-44-178.5-72-25.1000111.8K35 V36 N41K35-D39 WeakPolarHBondContact O-CB 3.5Å; K35-D39 PolarHBondContact O-N 3.15Å; V36-D39 PolarHBondContact O-N 3.33Å; D39-N41 VanDerWaalsContact C-N 3.33Å; D39-N41 PolarHBondContact O-N 3.21Å
40E97.5Very high96.2Very high125 Ų12541.2 Ų41.258%0.58420%0.198SC*.Hα-helixtrans-75-20.4-178-69.7-179.5166.900113.6V36 L38 Y173V36-E40 HydrophobicContact CG1-CG 4.09Å; V36-E40 WeakPolarHBondContact CG1-OE1 3.21Å; V36-E40 WeakPolarHBondContact O-CB 3.43Å; V36-E40 WeakPolarHBondContact O-CG 3.41Å; V36-E40 PolarHBondContact O-N 2.93Å; L38-E40 PolarHBondContact O-N 3.01Å; E40-Y173 WeakPolarHBondContact OE2-CE1 3.5Å; E40-Y173 VanDerWaalsContact OE2-CZ 3.31Å; E40-Y173 PolarHBondContact OE2-OH 2.86Å
41N96.4Very high95.9Very high13 Ų1348.2 Ų48.27%0.0722%0.224CC..Hα-helixtrans-122.110.3-171.7-59.6-85.1000114.1M37 L38 D39 D43 Q44 L45 L169 Y173M37-N41 WeakPolarHBondContact O-CB 3.33Å; M37-N41 PolarHBondContact O-N 3.33Å; M37-N41 PolarHBondContact O-ND2 3.06Å; L38-N41 PolarHBondContact O-N 2.86Å; D39-N41 VanDerWaalsContact C-N 3.33Å; D39-N41 PolarHBondContact O-N 3.21Å; N41-D43 PolarHBondContact O-N 3.29Å; N41-Q44 PolarHBondContact O-N 3.33Å; N41-Q44 PolarHBondContact OD1-NE2 3.44Å; N41-Q44 VanDerWaalsContact OD1-NE2 3.09Å; N41-L45 HydrophobicContact CB-CG 4.45Å; N41-L45 VanDerWaalsContact O-CG 3.3Å; N41-L45 WeakPolarHBondContact O-CG 3.41Å; N41-L45 PolarHBondContact O-N 3.28Å; N41-L169 HydrophobicContact CB-CD1 3.88Å; N41-L169 HydrophobicContact CB-CD2 4.22Å; N41-L169 WeakPolarHBondContact OD1-CD2 3.49Å; N41-Y173 PolarHBondContact ND2-OH 2.89Å
42A94Very high95.7Very high14 Ų1449.2 Ų49.212%0.11623%0.23CC..Hα-helixtrans-50.2-39.5-177.200000113.2L38 L45 C46 F76 I80L38-A42 PolarHBondContact O-N 3.39Å; A42-L45 PolarHBondContact O-N 2.95Å; A42-C46 PolarHBondContact O-N 3.24Å; A42-C46 PolarHBondContact O-SG 3.21Å; A42-C46 VanDerWaalsContact O-SG 3.32Å; A42-F76 HydrophobicContact CB-CD2 4.34Å; A42-F76 HydrophobicContact CB-CE2 4.18Å; A42-I80 HydrophobicContact CB-CD1 3.96Å
43D91.9Very high95.4Very high99 Ų9945 Ų4553%0.52921%0.21SC..Hα-helixtrans-65-44.7178.4-77.312.4000113.4N41 E47 K72N41-D43 PolarHBondContact O-N 3.29Å; D43-E47 WeakPolarHBondContact O-CB 3.45Å; D43-E47 PolarHBondContact O-N 3.04Å; D43-E47 VanDerWaalsContact O-N 3.11Å; D43-K72 IonicContact OD1-NZ 2.9Å; D43-K72 PolarHBondContact OD1-NZ 3.48Å; D43-K72 IonicContact OD2-NZ 2.64Å; D43-K72 PolarHBondContact OD2-NZ 2.91Å
44Q94.3Very high94.9Very high86 Ų8644.9 Ų44.940%0.40221%0.21SC..Hα-helixtrans-69-37.4178.1-69.4175.963.400111.1N41 E47 A48 L165N41-Q44 PolarHBondContact O-N 3.33Å; N41-Q44 PolarHBondContact OD1-NE2 3.44Å; N41-Q44 VanDerWaalsContact OD1-NE2 3.09Å; Q44-E47 PolarHBondContact O-N 3.14Å; Q44-A48 PolarHBondContact O-N 3.2Å; Q44-L165 HydrophobicContact CB-CD2 4.12Å; Q44-L165 VanDerWaalsContact O-CD2 3.29Å; Q44-L165 WeakPolarHBondContact O-CD2 3.47Å
45L95Very high93.9Very high0 Ų045.1 Ų45.10%021%0.211CC..Hα-helixtrans-62-51.3177.2-68.2169.8000110.9L38 N41 A42 E47 A48 V49 I80 I134 L165 M166 L169L38-L45 HydrophobicContact CD2-CD1 3.76Å; N41-L45 HydrophobicContact CB-CG 4.45Å; N41-L45 VanDerWaalsContact O-CG 3.3Å; N41-L45 WeakPolarHBondContact O-CG 3.41Å; N41-L45 PolarHBondContact O-N 3.28Å; A42-L45 PolarHBondContact O-N 2.95Å; L45-E47 VanDerWaalsContact C-N 3.33Å; L45-E47 PolarHBondContact O-N 3.17Å; L45-A48 PolarHBondContact O-N 2.85Å; L45-V49 WeakPolarHBondContact O-CG2 3.34Å; L45-V49 PolarHBondContact O-N 3.39Å; L45-V49 VanDerWaalsContact O-N 3.11Å; L45-I80 HydrophobicContact CB-CD1 3.82Å; L45-I80 HydrophobicContact CB-CG1 4.37Å; L45-I80 HydrophobicContact CD1-CD1 4.06Å; L45-I80 HydrophobicContact CD1-CG1 4.18Å; L45-I134 HydrophobicContact CD2-CD1 4.14Å; L45-I134 HydrophobicContact CD2-CG1 4.38Å; L45-I134 HydrophobicContact CD2-CG2 4.35Å; L45-L165 HydrophobicContact CD2-CD2 3.91Å; L45-L165 HydrophobicContact CD2-CG 4.46Å; L45-L165 HydrophobicContact CG-CD2 4.45Å; L45-M166 HydrophobicContact CD2-CE 3.13Å; L45-L169 HydrophobicContact CD2-CD1 3.78Å; L45-L169 HydrophobicContact CG-CD1 4.35Å
46C92.9Very high92.3Very high1 Ų143.1 Ų43.11%0.00720%0.203CC..Hα-helixtrans-65-36179-65.20000112.6A42 V49 Y50 F57 K72 A75 I80A42-C46 PolarHBondContact O-N 3.24Å; A42-C46 PolarHBondContact O-SG 3.21Å; A42-C46 VanDerWaalsContact O-SG 3.32Å; C46-V49 PolarHBondContact O-N 3.11Å; C46-Y50 WeakPolarHBondContact O-CB 3.18Å; C46-Y50 PolarHBondContact O-N 3.49Å; C46-F57 HydrophobicContact CB-CD2 3.3Å; C46-F57 HydrophobicContact CB-CE2 3.35Å; C46-F57 HydrophobicContact CB-CG 4.4Å; C46-K72 HydrophobicContact CB-CD 4.2Å; C46-A75 HydrophobicContact CB-CB 4Å; C46-I80 WeakPolarHBondContact SG-CD1 3.39Å
47E92.7Very high90.2Very high56 Ų5641.4 Ų41.426%0.26219%0.192SC..Hα-helixtrans-63-41.3173.6171.863.9-173.500111.9D43 Q44 L45 Y50 R51 F57D43-E47 WeakPolarHBondContact O-CB 3.45Å; D43-E47 PolarHBondContact O-N 3.04Å; D43-E47 VanDerWaalsContact O-N 3.11Å; Q44-E47 PolarHBondContact O-N 3.14Å; L45-E47 VanDerWaalsContact C-N 3.33Å; L45-E47 PolarHBondContact O-N 3.17Å; E47-Y50 WeakPolarHBondContact O-CB 3.36Å; E47-Y50 PolarHBondContact O-N 3.22Å; E47-R51 WeakPolarHBondContact O-CG 3.34Å; E47-R51 PolarHBondContact O-N 3.28Å; E47-R51 IonicContact OE1-CZ 2.78Å; E47-R51 IonicContact OE1-NE 3.58Å; E47-R51 PolarHBondContact OE1-NE 3.19Å; E47-R51 IonicContact OE1-NH2 2.93Å; E47-R51 PolarHBondContact OE1-NH2 3.22Å; E47-F57 HydrophobicContact CB-CE1 3.93Å; E47-F57 HydrophobicContact CB-CE2 4.42Å; E47-F57 HydrophobicContact CB-CZ 3.69Å; E47-F57 WeakPolarHBondContact OE2-CD1 3.28Å; E47-F57 WeakPolarHBondContact OE2-CE1 3.31Å
48A94.9Very high87.4Confident7 Ų744.1 Ų44.16%0.05821%0.209CC..Hα-helixtrans-63.2-44.9177.600000111.7Q44 L45 Y50 R51 D52 H161 L165Q44-A48 PolarHBondContact O-N 3.2Å; L45-A48 PolarHBondContact O-N 2.85Å; A48-Y50 VanDerWaalsContact C-N 3.31Å; A48-Y50 PolarHBondContact O-N 2.8Å; A48-R51 PolarHBondContact O-N 3.24Å; A48-D52 PolarHBondContact O-N 3.25Å; A48-D52 VanDerWaalsContact O-N 3.12Å; A48-H161 HydrophobicContact CB-CB 4.37Å; A48-L165 HydrophobicContact CB-CB 4.39Å; A48-L165 HydrophobicContact CB-CD2 3.7Å
49V93.9Very high84.6Confident0 Ų046.9 Ų46.90%023%0.227CC..Hα-helixtrans-63.4-38.6176.7177.90000111.2L45 C46 D52 L53 K55 E79 P133 I134L45-V49 WeakPolarHBondContact O-CG2 3.34Å; L45-V49 PolarHBondContact O-N 3.39Å; L45-V49 VanDerWaalsContact O-N 3.11Å; C46-V49 PolarHBondContact O-N 3.11Å; V49-D52 PolarHBondContact O-N 2.84Å; V49-L53 PolarHBondContact O-N 2.66Å; V49-K55 HydrophobicContact CG1-CB 4Å; V49-K55 HydrophobicContact CG1-CD 3.78Å; V49-K55 HydrophobicContact CG1-CG 4.08Å; V49-E79 HydrophobicContact CG1-CG 4.26Å; V49-E79 HydrophobicContact CG2-CG 4.04Å; V49-P133 HydrophobicContact CG2-CG 4.08Å; V49-I134 HydrophobicContact CG2-CG1 3.84Å
50Y92.7Very high81.8Confident89 Ų8948.8 Ų48.835%0.34923%0.233SC..Hα-helixtrans-62-42173.9-179.5-103.1000112.3C46 E47 A48 D52 R54 K55 F57C46-Y50 WeakPolarHBondContact O-CB 3.18Å; C46-Y50 PolarHBondContact O-N 3.49Å; E47-Y50 WeakPolarHBondContact O-CB 3.36Å; E47-Y50 PolarHBondContact O-N 3.22Å; A48-Y50 VanDerWaalsContact C-N 3.31Å; A48-Y50 PolarHBondContact O-N 2.8Å; Y50-D52 VanDerWaalsContact C-N 3.3Å; Y50-D52 PolarHBondContact O-N 3.01Å; Y50-R54 HydrophobicContact CD2-CB 4.29Å; Y50-R54 HydrophobicContact CE2-CB 4.1Å; Y50-R54 HydrophobicContact CE2-CG 4.5Å; Y50-R54 WeakPolarHBondContact O-CA 3.38Å; Y50-R54 PolarHBondContact O-N 2.86Å; Y50-K55 WeakPolarHBondContact CD2-O 3.43Å; Y50-F57 HydrophobicContact CD1-CD1 4.21Å; Y50-F57 HydrophobicContact CD2-CB 3.64Å; Y50-F57 HydrophobicContact CD2-CD1 4.38Å; Y50-F57 HydrophobicContact CD2-CG 4.49Å; Y50-F57 HydrophobicContact CG-CB 3.8Å; Y50-F57 AromaticContact CG-CD1 3.87Å; Y50-F57 HydrophobicContact CG-CD1 3.87Å; Y50-F57 HydrophobicContact CG-CG 4.23Å
51R93.2Very high78.8Confident148 Ų14850.3 Ų50.356%0.55824%0.244SC*.Hα-helixtrans-65.6-33177.3-71-179.2-173.9-169.54.3113.1E47 A48 H161E47-R51 WeakPolarHBondContact O-CG 3.34Å; E47-R51 PolarHBondContact O-N 3.28Å; E47-R51 IonicContact OE1-CZ 2.78Å; E47-R51 IonicContact OE1-NE 3.58Å; E47-R51 PolarHBondContact OE1-NE 3.19Å; E47-R51 IonicContact OE1-NH2 2.93Å; E47-R51 PolarHBondContact OE1-NH2 3.22Å; A48-R51 PolarHBondContact O-N 3.24Å; R51-H161 HydrophobicContact CB-CB 4.16Å
52D94.1Very high76.1Confident22 Ų2257 Ų5712%0.11828%0.28CS..Hα-helixtrans-81.1-41.9-179.8-67.7-40.1000113A48 V49 Y50 A159 G160 H161 S162A48-D52 PolarHBondContact O-N 3.25Å; A48-D52 VanDerWaalsContact O-N 3.12Å; V49-D52 PolarHBondContact O-N 2.84Å; Y50-D52 VanDerWaalsContact C-N 3.3Å; Y50-D52 PolarHBondContact O-N 3.01Å; D52-A159 HydrophobicContact CB-CB 4.21Å; D52-G160 PolarHBondContact OD1-N 2.91Å; D52-H161 WeakPolarHBondContact OD1-CB 3.5Å; D52-H161 IonicContact OD1-CD2 2.95Å; D52-H161 PolarHBondContact OD1-CD2 3.11Å; D52-H161 VanDerWaalsContact OD1-CD2 3.31Å; D52-H161 IonicContact OD1-CG 3.5Å; D52-H161 PolarHBondContact OD1-N 2.98Å; D52-S162 WeakPolarHBondContact OD2-CB 3.4Å; D52-S162 PolarHBondContact OD2-N 3.43Å; D52-S162 PolarHBondContact OD2-OG 2.89Å
53L91.9Very high73.3Confident4 Ų465.9 Ų65.92%0.02132%0.319CS..Hα-helixtrans-129.4-6.8-167.4-68.8169.7000114.5V49 K55 W130 N131 R300 V302V49-L53 PolarHBondContact O-N 2.66Å; L53-K55 HydrophobicContact CB-CG 3.96Å; L53-K55 HydrophobicContact CD1-CG 4.48Å; L53-K55 PolarHBondContact O-N 2.82Å; L53-K55 VanDerWaalsContact O-N 3.13Å; L53-W130 HydrophobicContact CD2-CE3 3.89Å; L53-W130 HydrophobicContact CD2-CZ3 3.83Å; L53-N131 WeakPolarHBondContact CD1-O 3.41Å; L53-R300 PolarHBondContact O-N 2.95Å; L53-V302 HydrophobicContact CD2-CB 3.63Å; L53-V302 HydrophobicContact CD2-CG2 3.62Å
54R88.1Confident70.8Confident85 Ų8565.2 Ų65.232%0.32134%0.335SS..  trans4931.6-167.4-52.5-160.7-162.7162.75.1113.5Y50 R300 D329Y50-R54 HydrophobicContact CD2-CB 4.29Å; Y50-R54 HydrophobicContact CE2-CB 4.1Å; Y50-R54 HydrophobicContact CE2-CG 4.5Å; Y50-R54 WeakPolarHBondContact O-CA 3.38Å; Y50-R54 PolarHBondContact O-N 2.86Å; R54-R300 HydrophobicContact CB-CB 4.4Å; R54-R300 HydrophobicContact CB-CG 4.06Å; R54-R300 HydrophobicContact CG-CB 4.36Å; R54-R300 HydrophobicContact CG-CG 3.97Å; R54-D329 IonicContact CZ-OD1 2.95Å; R54-D329 IonicContact NH1-OD1 3.44Å; R54-D329 PolarHBondContact NH1-OD1 3.45Å; R54-D329 IonicContact NH1-OD2 2.63Å; R54-D329 IonicContact NH2-OD1 2.72Å; R54-D329 PolarHBondContact NH2-OD1 2.97Å
55K78Confident68.3Low5 Ų565.3 Ų65.32%0.02235%0.346CS..  trans-56.6142.8167.5-68.2-167.2-175.4176.70108.8V49 Y50 L53 F57 E79 N131V49-K55 HydrophobicContact CG1-CB 4Å; V49-K55 HydrophobicContact CG1-CD 3.78Å; V49-K55 HydrophobicContact CG1-CG 4.08Å; Y50-K55 WeakPolarHBondContact CD2-O 3.43Å; L53-K55 HydrophobicContact CB-CG 3.96Å; L53-K55 HydrophobicContact CD1-CG 4.48Å; L53-K55 PolarHBondContact O-N 2.82Å; L53-K55 VanDerWaalsContact O-N 3.13Å; K55-F57 PolarHBondContact O-N 3.32Å; K55-E79 IonicContact NZ-OE1 3.23Å; K55-E79 PolarHBondContact NZ-OE1 2.7Å; K55-N131 WeakPolarHBondContact CE-O 3.38Å; K55-N131 PolarHBondContact NZ-O 3.36Å
56V65.5Low65.5Low15 Ų1575.1 Ų75.19%0.09139%0.391CS..SBendtrans-53.5111.4-163.1-178.70000111.3E74 D297V56-E74 HydrophobicContact CB-CB 4.06Å; V56-E74 VanDerWaalsContact CG2-OE2 3.28Å; V56-E74 WeakPolarHBondContact CG2-OE2 3.34Å; V56-E74 PolarHBondContact N-OE2 3.42Å; V56-D297 HydrophobicContact CG2-CB 4.24Å; V56-D297 WeakPolarHBondContact CG2-O 3.38Å
57F53.3Low62.9Low9 Ų985 Ų854%0.03943%0.429CS..  trans-147.498.2177.9177.5-97.3000106.9C46 E47 Y50 K55 C59 K72C46-F57 HydrophobicContact CB-CD2 3.3Å; C46-F57 HydrophobicContact CB-CE2 3.35Å; C46-F57 HydrophobicContact CB-CG 4.4Å; E47-F57 HydrophobicContact CB-CE1 3.93Å; E47-F57 HydrophobicContact CB-CE2 4.42Å; E47-F57 HydrophobicContact CB-CZ 3.69Å; E47-F57 WeakPolarHBondContact OE2-CD1 3.28Å; E47-F57 WeakPolarHBondContact OE2-CE1 3.31Å; Y50-F57 HydrophobicContact CD1-CD1 4.21Å; Y50-F57 HydrophobicContact CD2-CB 3.64Å; Y50-F57 HydrophobicContact CD2-CD1 4.38Å; Y50-F57 HydrophobicContact CD2-CG 4.49Å; Y50-F57 HydrophobicContact CG-CB 3.8Å; Y50-F57 AromaticContact CG-CD1 3.87Å; Y50-F57 HydrophobicContact CG-CD1 3.87Å; Y50-F57 HydrophobicContact CG-CG 4.23Å; K55-F57 PolarHBondContact O-N 3.32Å; F57-C59 HydrophobicContact CD1-CB 4.01Å; F57-C59 HydrophobicContact CE1-CB 3.19Å; F57-C59 HydrophobicContact CE2-CB 4.22Å; F57-C59 HydrophobicContact CZ-CB 3.37Å; F57-K72 HydrophobicContact CD2-CB 4.34Å; F57-K72 HydrophobicContact CD2-CD 3.98Å; F57-K72 HydrophobicContact CD2-CG 3.72Å; F57-K72 HydrophobicContact CE2-CD 3.59Å; F57-K72 HydrophobicContact CE2-CG 3.84Å
58V40.4Very low60.2Low58 Ų5888.1 Ų88.135%0.35246%0.455SS..  trans-101.793.9167.8-176.60000107P296V58-P296 HydrophobicContact CG2-CB 3.96Å
59C39.5Very low57.6Low58 Ų5890 Ų9039%0.39247%0.468SS..  trans-89117166.8-160.60000108.3F57 L61F57-C59 HydrophobicContact CD1-CB 4.01Å; F57-C59 HydrophobicContact CE1-CB 3.19Å; F57-C59 HydrophobicContact CE2-CB 4.22Å; F57-C59 HydrophobicContact CZ-CB 3.37Å; C59-L61 VanDerWaalsContact C-N 3.32Å; C59-L61 PolarHBondContact O-N 2.43Å
60Q37.1Very low55.2Low131 Ų13193.9 Ų93.961%0.61249%0.493SS*.  trans-6590.3173.5-77.7-179.3-27.700110
61L35.7Very low53Low156 Ų15694.7 Ų94.782%0.81751%0.509SS*.  trans-116.41.6150-83.9169.3000112.5C59 Q63C59-L61 VanDerWaalsContact C-N 3.32Å; C59-L61 PolarHBondContact O-N 2.43Å; L61-Q63 PolarHBondContact O-N 2.96Å; L61-Q63 VanDerWaalsContact O-N 3.17Å
62L38.3Very low51.6Low155 Ų15588.9 Ų88.981%0.81249%0.488SS*.SBendtrans-82.494164.7-72.7170.4000108.9G64L62-G64 PolarHBondContact O-N 3.41Å
63Q35.4Very low50.8Low199 Ų19992.9 Ų92.993%0.9351%0.509SS*.THydrogen-bonded Turntrans-49.2121.7169.2-64177-14.400110.1L61L61-Q63 PolarHBondContact O-N 2.96Å; L61-Q63 VanDerWaalsContact O-N 3.17Å
64G39.4Very low50.4Low85 Ų8593.6 Ų93.688%0.87651%0.512SS*.THydrogen-bonded Turntrans124.8-1.7155.400000119.4L62L62-G64 PolarHBondContact O-N 3.41Å
65S41.9Very low50.4Low89 Ų8989.6 Ų89.662%0.62250%0.497SS*.  trans-122.1113.3177.854.50000113.3R67S65-R67 PolarHBondContact O-N 3.39Å
66Q36.9Very low51.1Low206 Ų20692.5 Ų92.596%0.96351%0.51SS*.  trans-68.658.8175.7-96.7-178.3-19.100112.7
67R38.5Very low52.3Low209 Ų20994 Ų9479%0.78952%0.521SS*.  trans-123.7103.7162.2-136.7175.9-175.7-173.8-0.7107.7S65 S69S65-R67 PolarHBondContact O-N 3.39Å; R67-S69 PolarHBondContact O-N 2.83Å
68C34.8Very low54.1Low120 Ų12096.2 Ų96.281%0.81153%0.53SS*.  trans-66.577168.4-58.30000108.2
69S42Very low56.7Low48 Ų4893.6 Ų93.634%0.33651%0.514SS..PPolyproline II helixtrans-61.9135.7164.1-650000107.8R67R67-S69 PolarHBondContact O-N 2.83Å
70P42.3Very low59.4Low80 Ų8090.9 Ų90.952%0.51950%0.496SS..PPolyproline II helixtrans-65.3144.8-16724.7-31.9000111.7K72P70-K72 PolarHBondContact O-N 3.29Å
71P47Very low62.2Low106 Ų10687.7 Ų87.769%0.68848%0.481SS*.SBendtrans-67.6121.6-166.926.5-33000111.2L73P71-L73 WeakPolarHBondContact O-CA 3.18Å; P71-L73 PolarHBondContact O-N 2.98Å
72K63.8Low64.9Low26 Ų2681.8 Ų81.811%0.11346%0.455CS..SBendtrans46.322.8157.1-51.6-178.1-177.5-174.90116.5D43 C46 F57 P70 E74 A75 F76D43-K72 IonicContact OD1-NZ 2.9Å; D43-K72 PolarHBondContact OD1-NZ 3.48Å; D43-K72 IonicContact OD2-NZ 2.64Å; D43-K72 PolarHBondContact OD2-NZ 2.91Å; C46-K72 HydrophobicContact CB-CD 4.2Å; F57-K72 HydrophobicContact CD2-CB 4.34Å; F57-K72 HydrophobicContact CD2-CD 3.98Å; F57-K72 HydrophobicContact CD2-CG 3.72Å; F57-K72 HydrophobicContact CE2-CD 3.59Å; F57-K72 HydrophobicContact CE2-CG 3.84Å; P70-K72 PolarHBondContact O-N 3.29Å; K72-E74 PolarHBondContact O-N 3.39Å; K72-A75 PolarHBondContact O-N 2.99Å; K72-F76 HydrophobicContact CB-CB 4.16Å; K72-F76 WeakPolarHBondContact O-CA 3.32Å; K72-F76 WeakPolarHBondContact O-CB 3.49Å; K72-F76 PolarHBondContact O-N 2.84Å
73L77.5Confident67.8Low107 Ų10774.4 Ų74.456%0.5642%0.416SS*.Hα-helixtrans-64.4-49.6-154-17468.3000112.4P71 C77P71-L73 WeakPolarHBondContact O-CA 3.18Å; P71-L73 PolarHBondContact O-N 2.98Å; L73-C77 WeakPolarHBondContact O-CB 3.36Å; L73-C77 PolarHBondContact O-N 3.27Å; L73-C77 PolarHBondContact O-SG 3.04Å
74E83.4Confident70.8Confident19 Ų1965.8 Ų65.89%0.08938%0.376CS..Hα-helixtrans-62.9-58179.8-173.8-169.9-169.100110.9V56 K72 F76 C77 F78 I254 G255V56-E74 HydrophobicContact CB-CB 4.06Å; V56-E74 VanDerWaalsContact CG2-OE2 3.28Å; V56-E74 WeakPolarHBondContact CG2-OE2 3.34Å; V56-E74 PolarHBondContact N-OE2 3.42Å; K72-E74 PolarHBondContact O-N 3.39Å; E74-F76 PolarHBondContact O-N 3.35Å; E74-C77 PolarHBondContact O-N 3.09Å; E74-F78 HydrophobicContact CB-CD2 4.47Å; E74-F78 HydrophobicContact CG-CD2 3.75Å; E74-F78 HydrophobicContact CG-CE2 4.12Å; E74-F78 WeakPolarHBondContact O-CD2 3.19Å; E74-F78 PolarHBondContact O-N 2.93Å; E74-I254 HydrophobicContact CG-CD1 4.34Å; E74-I254 HydrophobicContact CG-CG1 4.18Å; E74-I254 WeakPolarHBondContact OE1-CG1 3.37Å; E74-G255 WeakPolarHBondContact OE1-CA 2.99Å; E74-G255 PolarHBondContact OE1-N 3.45Å
75A88.8Confident73.5Confident0 Ų065.4 Ų65.40%035%0.354CS..Hα-helixtrans-57.5-48.5-178.600000111.2C46 K72 E79C46-A75 HydrophobicContact CB-CB 4Å; K72-A75 PolarHBondContact O-N 2.99Å; A75-E79 WeakPolarHBondContact O-CA 3.35Å; A75-E79 WeakPolarHBondContact O-CB 3.29Å; A75-E79 VanDerWaalsContact O-CG 3.27Å; A75-E79 WeakPolarHBondContact O-CG 3.41Å; A75-E79 PolarHBondContact O-N 2.92Å
76F91.7Very high76.2Confident66 Ų6661.8 Ų61.829%0.28933%0.327SS..Iπ-helixtrans-62.4-50.2-179.7-178.6-94.1000112.1A42 K72 E74 I80 Q81A42-F76 HydrophobicContact CB-CD2 4.34Å; A42-F76 HydrophobicContact CB-CE2 4.18Å; K72-F76 HydrophobicContact CB-CB 4.16Å; K72-F76 WeakPolarHBondContact O-CA 3.32Å; K72-F76 WeakPolarHBondContact O-CB 3.49Å; K72-F76 PolarHBondContact O-N 2.84Å; E74-F76 PolarHBondContact O-N 3.35Å; F76-I80 HydrophobicContact CD2-CB 4.18Å; F76-I80 HydrophobicContact CD2-CD1 3.96Å; F76-I80 HydrophobicContact CD2-CG2 4.32Å; F76-I80 HydrophobicContact CE2-CB 4.37Å; F76-I80 HydrophobicContact CE2-CG2 4.03Å; F76-I80 CarbonylContact O-C 3.58Å; F76-I80 WeakPolarHBondContact O-CA 3.3Å; F76-I80 WeakPolarHBondContact O-CB 3.45Å; F76-I80 PolarHBondContact O-N 3.04Å; F76-Q81 HydrophobicContact CD1-CB 4.25Å; F76-Q81 HydrophobicContact CE1-CB 3.94Å; F76-Q81 HydrophobicContact CE1-CG 4.45Å; F76-Q81 PolarHBondContact O-N 3.43Å
77C90.9Very high79.2Confident48 Ų4852 Ų5232%0.32428%0.281SS..Iπ-helixtrans-65.3-46-176.1-72.40000112.2L73 E74 A82L73-C77 WeakPolarHBondContact O-CB 3.36Å; L73-C77 PolarHBondContact O-N 3.27Å; L73-C77 PolarHBondContact O-SG 3.04Å; E74-C77 PolarHBondContact O-N 3.09Å; C77-A82 PolarHBondContact O-N 2.8Å
78F91.4Very high82Confident55 Ų5546.5 Ų46.524%0.24127%0.265CS..Iπ-helixtrans-86.2-22.9-174.1-65.6-69.8000114.4E74 Y132 N135 W250 I254E74-F78 HydrophobicContact CB-CD2 4.47Å; E74-F78 HydrophobicContact CG-CD2 3.75Å; E74-F78 HydrophobicContact CG-CE2 4.12Å; E74-F78 WeakPolarHBondContact O-CD2 3.19Å; E74-F78 PolarHBondContact O-N 2.93Å; F78-Y132 HydrophobicContact CB-CD1 4.08Å; F78-Y132 HydrophobicContact CB-CE1 3.8Å; F78-Y132 HydrophobicContact CG-CE1 4.28Å; F78-N135 WeakPolarHBondContact O-CB 3.27Å; F78-N135 PolarHBondContact O-ND2 2.77Å; F78-W250 HydrophobicContact CZ-CH2 4.41Å; F78-W250 AromaticContact CZ-CZ2 3.97Å; F78-W250 HydrophobicContact CZ-CZ2 3.97Å; F78-I254 HydrophobicContact CD2-CD1 4.2Å; F78-I254 HydrophobicContact CE2-CD1 3.35Å; F78-I254 HydrophobicContact CE2-CG1 4.46Å; F78-I254 HydrophobicContact CZ-CD1 3.64Å
79E94.7Very high85Confident2 Ų242.1 Ų42.11%0.00923%0.234CC..Iπ-helixtrans-100.6-32.7-178.9-58.7-70.8169.100113V49 K55 A75 V83 Y132 P133 I134 N135V49-E79 HydrophobicContact CG1-CG 4.26Å; V49-E79 HydrophobicContact CG2-CG 4.04Å; K55-E79 IonicContact NZ-OE1 3.23Å; K55-E79 PolarHBondContact NZ-OE1 2.7Å; A75-E79 WeakPolarHBondContact O-CA 3.35Å; A75-E79 WeakPolarHBondContact O-CB 3.29Å; A75-E79 VanDerWaalsContact O-CG 3.27Å; A75-E79 WeakPolarHBondContact O-CG 3.41Å; A75-E79 PolarHBondContact O-N 2.92Å; E79-V83 VanDerWaalsContact O-CG2 3.3Å; E79-V83 WeakPolarHBondContact O-CG2 3.24Å; E79-Y132 WeakPolarHBondContact OE1-CA 3.4Å; E79-Y132 WeakPolarHBondContact OE1-CD1 3.11Å; E79-Y132 VanDerWaalsContact OE2-C 3.23Å; E79-P133 WeakPolarHBondContact OE1-CD 3.34Å; E79-I134 HydrophobicContact CB-CB 4.07Å; E79-I134 HydrophobicContact CB-CG1 4.36Å; E79-I134 WeakPolarHBondContact OE2-CB 3.27Å; E79-I134 PolarHBondContact OE2-N 3.16Å; E79-N135 PolarHBondContact OE2-N 2.89Å
80I96Very high87.7Confident1 Ų140 Ų401%0.00522%0.219CC..Iπ-helixtrans-117.8-56.2-167-56172000111.1L38 A42 L45 C46 F76 A82 V83 L84L38-I80 HydrophobicContact CB-CG2 4.27Å; L38-I80 HydrophobicContact CD2-CG2 4.35Å; A42-I80 HydrophobicContact CB-CD1 3.96Å; L45-I80 HydrophobicContact CB-CD1 3.82Å; L45-I80 HydrophobicContact CB-CG1 4.37Å; L45-I80 HydrophobicContact CD1-CD1 4.06Å; L45-I80 HydrophobicContact CD1-CG1 4.18Å; C46-I80 WeakPolarHBondContact SG-CD1 3.39Å; F76-I80 HydrophobicContact CD2-CB 4.18Å; F76-I80 HydrophobicContact CD2-CD1 3.96Å; F76-I80 HydrophobicContact CD2-CG2 4.32Å; F76-I80 HydrophobicContact CE2-CB 4.37Å; F76-I80 HydrophobicContact CE2-CG2 4.03Å; F76-I80 CarbonylContact O-C 3.58Å; F76-I80 WeakPolarHBondContact O-CA 3.3Å; F76-I80 WeakPolarHBondContact O-CB 3.45Å; F76-I80 PolarHBondContact O-N 3.04Å; I80-A82 VanDerWaalsContact C-N 3.29Å; I80-A82 PolarHBondContact O-N 2.91Å; I80-V83 WeakPolarHBondContact O-CB 3.26Å; I80-V83 PolarHBondContact O-N 2.84Å; I80-L84 HydrophobicContact CG2-CD1 4Å; I80-L84 HydrophobicContact CG2-CG 4.36Å; I80-L84 PolarHBondContact O-N 2.73Å
81Q95.3Very high90.4Very high65 Ų6538.4 Ų38.430%0.30421%0.208SC..Iπ-helixtrans-61.9-38.3-176.2-172.760.967.700111.9F76 V83 L84 N85F76-Q81 HydrophobicContact CD1-CB 4.25Å; F76-Q81 HydrophobicContact CE1-CB 3.94Å; F76-Q81 HydrophobicContact CE1-CG 4.45Å; F76-Q81 PolarHBondContact O-N 3.43Å; Q81-V83 VanDerWaalsContact C-N 3.28Å; Q81-V83 PolarHBondContact O-N 2.95Å; Q81-L84 PolarHBondContact O-N 3.49Å; Q81-N85 PolarHBondContact NE2-OD1 2.74Å; Q81-N85 VanDerWaalsContact O-CG 3.23Å; Q81-N85 PolarHBondContact O-N 3.49Å; Q81-N85 PolarHBondContact O-OD1 2.83Å
82A93.6Very high92.9Very high32 Ų3241.5 Ų41.526%0.26421%0.211SC..Hα-helixtrans-56-43.1173.600000111.9C77 I80 N85 E86C77-A82 PolarHBondContact O-N 2.8Å; I80-A82 VanDerWaalsContact C-N 3.29Å; I80-A82 PolarHBondContact O-N 2.91Å; A82-N85 PolarHBondContact O-N 3.19Å; A82-E86 PolarHBondContact O-N 3.11Å
83V98.2Very high94.5Very high0 Ų041.8 Ų41.80%022%0.216CC..Hα-helixtrans-69.4-42.2177.7-171.20000111.1M34 L38 E79 I80 Q81 N85 E86 I87 N135 L138 V139 V142M34-V83 HydrophobicContact SD-CG1 4.13Å; L38-V83 HydrophobicContact CD1-CB 3.93Å; L38-V83 HydrophobicContact CD1-CG1 3.64Å; E79-V83 VanDerWaalsContact O-CG2 3.3Å; E79-V83 WeakPolarHBondContact O-CG2 3.24Å; I80-V83 WeakPolarHBondContact O-CB 3.26Å; I80-V83 PolarHBondContact O-N 2.84Å; Q81-V83 VanDerWaalsContact C-N 3.28Å; Q81-V83 PolarHBondContact O-N 2.95Å; V83-N85 VanDerWaalsContact C-N 3.28Å; V83-N85 PolarHBondContact O-N 2.98Å; V83-E86 WeakPolarHBondContact O-CB 3.46Å; V83-E86 PolarHBondContact O-N 2.91Å; V83-I87 HydrophobicContact CG1-CD1 4.12Å; V83-I87 WeakPolarHBondContact O-CG1 3.25Å; V83-I87 PolarHBondContact O-N 2.92Å; V83-N135 HydrophobicContact CG2-CB 4.4Å; V83-L138 HydrophobicContact CG1-CB 3.69Å; V83-L138 HydrophobicContact CG2-CB 4.02Å; V83-V139 HydrophobicContact CG2-CG2 3.96Å; V83-V142 HydrophobicContact CG1-CG2 4.16Å
84L98.3Very high95.5Very high17 Ų1736.8 Ų36.89%0.08919%0.19CC..Hα-helixtrans-59.7-39.4177-71.1173000112K35 L38 I80 Q81 I87 E88K35-L84 HydrophobicContact CG-CD2 4.04Å; L38-L84 HydrophobicContact CB-CD2 3.95Å; L38-L84 HydrophobicContact CB-CG 4.5Å; L38-L84 HydrophobicContact CD1-CD2 3.88Å; L38-L84 HydrophobicContact CD1-CG 4.2Å; I80-L84 HydrophobicContact CG2-CD1 4Å; I80-L84 HydrophobicContact CG2-CG 4.36Å; I80-L84 PolarHBondContact O-N 2.73Å; Q81-L84 PolarHBondContact O-N 3.49Å; L84-I87 PolarHBondContact O-N 3.36Å; L84-E88 PolarHBondContact O-N 3.11Å
85N97.6Very high96.2Very high77 Ų7744 Ų4441%0.41222%0.22SC..Hα-helixtrans-62.9-46.4176-68.6-8.1000111.3Q81 A82 V83 I87 E88 V89Q81-N85 PolarHBondContact NE2-OD1 2.74Å; Q81-N85 VanDerWaalsContact O-CG 3.23Å; Q81-N85 PolarHBondContact O-N 3.49Å; Q81-N85 PolarHBondContact O-OD1 2.83Å; A82-N85 PolarHBondContact O-N 3.19Å; V83-N85 VanDerWaalsContact C-N 3.28Å; V83-N85 PolarHBondContact O-N 2.98Å; N85-I87 VanDerWaalsContact C-N 3.33Å; N85-I87 PolarHBondContact O-N 3.45Å; N85-E88 PolarHBondContact O-N 3.42Å; N85-V89 VanDerWaalsContact O-CG2 3.32Å; N85-V89 WeakPolarHBondContact O-CG2 3.09Å; N85-V89 PolarHBondContact O-N 3.45Å
86E98.2Very high96.7Very high13 Ų1347.7 Ų47.76%0.06125%0.246CC..Hα-helixtrans-59.5-41.9175.7-76.2-77.1157.800112A82 V83 E88 V89 A90 V139 V142 H429 G430A82-E86 PolarHBondContact O-N 3.11Å; V83-E86 WeakPolarHBondContact O-CB 3.46Å; V83-E86 PolarHBondContact O-N 2.91Å; E86-E88 PolarHBondContact O-N 2.91Å; E86-V89 PolarHBondContact O-N 2.91Å; E86-A90 VanDerWaalsContact O-CB 3.24Å; E86-A90 WeakPolarHBondContact O-CB 3.24Å; E86-A90 PolarHBondContact O-N 2.82Å; E86-V139 HydrophobicContact CG-CG1 3.96Å; E86-V139 HydrophobicContact CG-CG2 4.29Å; E86-V142 HydrophobicContact CB-CB 4.45Å; E86-V142 HydrophobicContact CB-CG1 4.2Å; E86-V142 HydrophobicContact CB-CG2 4.33Å; E86-H429 VanDerWaalsContact OE1-CA 3.3Å; E86-H429 WeakPolarHBondContact OE1-CA 3.21Å; E86-H429 WeakPolarHBondContact OE1-CB 3.5Å; E86-H429 IonicContact OE1-CD2 3.75Å; E86-H429 IonicContact OE1-CG 2.88Å; E86-G430 PolarHBondContact OE1-N 3.01Å; E86-G430 PolarHBondContact OE2-N 3.05Å
87I98.7Very high97Very high0 Ų045.7 Ų45.70%024%0.237CC..Hα-helixtrans-61.5-44.4175.5-67.2164.2000111.1L31 M34 K35 L38 V83 L84 N85 A90 T91 V142L31-I87 HydrophobicContact CB-CG2 4.27Å; M34-I87 HydrophobicContact CB-CD1 3.95Å; M34-I87 HydrophobicContact CG-CD1 3.87Å; M34-I87 HydrophobicContact SD-CD1 3.84Å; M34-I87 HydrophobicContact SD-CG1 4.21Å; K35-I87 HydrophobicContact CB-CD1 4.43Å; K35-I87 HydrophobicContact CB-CG2 4.15Å; L38-I87 HydrophobicContact CD1-CD1 3.69Å; V83-I87 HydrophobicContact CG1-CD1 4.12Å; V83-I87 WeakPolarHBondContact O-CG1 3.25Å; V83-I87 PolarHBondContact O-N 2.92Å; L84-I87 PolarHBondContact O-N 3.36Å; N85-I87 VanDerWaalsContact C-N 3.33Å; N85-I87 PolarHBondContact O-N 3.45Å; I87-A90 PolarHBondContact O-N 3.41Å; I87-T91 VanDerWaalsContact O-CB 3.25Å; I87-T91 WeakPolarHBondContact O-CB 3.09Å; I87-T91 PolarHBondContact O-N 3.04Å; I87-T91 PolarHBondContact O-OG1 2.98Å; I87-V142 HydrophobicContact CD1-CG2 4.46Å; I87-V142 HydrophobicContact CG1-CG1 4.42Å; I87-V142 HydrophobicContact CG1-CG2 3.58Å
88E98.4Very high97.3Very high94 Ų9444.6 Ų44.644%0.43923%0.23SC..Hα-helixtrans-64.7-46.7-179-171.561.6-144.600111.1K35 L84 N85 E86 A90 T91 K92K35-E88 IonicContact NZ-OE2 3.85Å; K35-E88 PolarHBondContact NZ-OE2 2.73Å; L84-E88 PolarHBondContact O-N 3.11Å; N85-E88 PolarHBondContact O-N 3.42Å; E86-E88 PolarHBondContact O-N 2.91Å; E88-A90 PolarHBondContact O-N 3.46Å; E88-T91 PolarHBondContact O-N 3.32Å; E88-K92 WeakPolarHBondContact O-CB 3.39Å; E88-K92 PolarHBondContact O-N 3.33Å
89V98.3Very high97.6Very high29 Ų2944 Ų4418%0.17624%0.235CC..Hα-helixtrans-60.5-47.8176.4175.10000110.4N85 E86 K92 C93 W97 D413N85-V89 VanDerWaalsContact O-CG2 3.32Å; N85-V89 WeakPolarHBondContact O-CG2 3.09Å; N85-V89 PolarHBondContact O-N 3.45Å; E86-V89 PolarHBondContact O-N 2.91Å; V89-K92 PolarHBondContact O-N 3.19Å; V89-C93 VanDerWaalsContact O-CB 3.28Å; V89-C93 WeakPolarHBondContact O-CB 3.33Å; V89-C93 PolarHBondContact O-N 3.27Å; V89-C93 PolarHBondContact O-SG 2.99Å; V89-W97 HydrophobicContact CG1-CH2 3.82Å; V89-W97 HydrophobicContact CG1-CZ2 3.91Å; V89-D413 WeakPolarHBondContact CG1-OD1 3.27Å; V89-D413 HydrophobicContact CG2-CB 4.35Å
90A98.6Very high97.7Very high2 Ų247.9 Ų47.92%0.01726%0.26CS..Hα-helixtrans-61.1-47178.100000111.5L31 E86 I87 E88 K92 C93 L94 W97 V142 A146L31-A90 HydrophobicContact CD1-CB 3.83Å; E86-A90 VanDerWaalsContact O-CB 3.24Å; E86-A90 WeakPolarHBondContact O-CB 3.24Å; E86-A90 PolarHBondContact O-N 2.82Å; I87-A90 PolarHBondContact O-N 3.41Å; E88-A90 PolarHBondContact O-N 3.46Å; A90-K92 VanDerWaalsContact C-N 3.34Å; A90-K92 PolarHBondContact O-N 3Å; A90-C93 PolarHBondContact O-N 2.93Å; A90-L94 WeakPolarHBondContact O-CA 3.21Å; A90-L94 WeakPolarHBondContact O-CB 3.44Å; A90-L94 PolarHBondContact O-N 2.95Å; A90-W97 HydrophobicContact CB-CH2 4.46Å; A90-W97 HydrophobicContact CB-CZ3 4.01Å; A90-V142 HydrophobicContact CB-CG1 3.76Å; A90-A146 HydrophobicContact CB-CB 4.35Å
91T98.6Very high97.7Very high47 Ų4750 Ų5029%0.28828%0.276SS..Hα-helixtrans-59.4-44.7179.6-61.20000111.5L28 I87 E88L28-T91 HydrophobicContact CD2-CG2 4.09Å; I87-T91 VanDerWaalsContact O-CB 3.25Å; I87-T91 WeakPolarHBondContact O-CB 3.09Å; I87-T91 PolarHBondContact O-N 3.04Å; I87-T91 PolarHBondContact O-OG1 2.98Å; E88-T91 PolarHBondContact O-N 3.32Å
92K98.3Very high97.7Very high171 Ų17158.2 Ų58.274%0.74330%0.304SS*.Hα-helixtrans-66.9-39.6179.3-176.2179.9178.6-178.30112.7E88 V89 A90E88-K92 WeakPolarHBondContact O-CB 3.39Å; E88-K92 PolarHBondContact O-N 3.33Å; V89-K92 PolarHBondContact O-N 3.19Å; A90-K92 VanDerWaalsContact C-N 3.34Å; A90-K92 PolarHBondContact O-N 3Å
93C98.4Very high97.6Very high33 Ų3359.6 Ų59.622%0.22331%0.309CS..Hα-helixtrans-102.3-12.5-168.4-63.70000114.6V89 A90 K95 S96 W97V89-C93 VanDerWaalsContact O-CB 3.28Å; V89-C93 WeakPolarHBondContact O-CB 3.33Å; V89-C93 PolarHBondContact O-N 3.27Å; V89-C93 PolarHBondContact O-SG 2.99Å; A90-C93 PolarHBondContact O-N 2.93Å; C93-K95 VanDerWaalsContact C-N 3.27Å; C93-K95 PolarHBondContact O-N 2.81Å; C93-K95 VanDerWaalsContact O-N 3.09Å; C93-S96 PolarHBondContact O-N 2.63Å; C93-S96 PolarHBondContact O-OG 2.84Å; C93-W97 HydrophobicContact CB-CD2 3.8Å; C93-W97 HydrophobicContact CB-CE3 4.4Å; C93-W97 HydrophobicContact CB-CG 4.26Å; C93-W97 HydrophobicContact CB-CH2 4.13Å; C93-W97 HydrophobicContact CB-CZ2 3.46Å; C93-W97 VanDerWaalsContact CB-CZ2 3.46Å; C93-W97 PolarHBondContact O-N 3.06Å
94L98.5Very high97.2Very high1 Ų164.8 Ų64.81%0.00535%0.345CS..Hα-helixtrans-54.6-39.4-170.6175.856.6000113.8L24 R27 L28 A90 S96 W97 S98 A146 F434L24-L94 HydrophobicContact CD2-CD1 4.25Å; L24-L94 HydrophobicContact CD2-CD2 4.27Å; L24-L94 HydrophobicContact CD2-CG 3.89Å; R27-L94 HydrophobicContact CB-CD2 3.82Å; L28-L94 HydrophobicContact CD2-CB 4.41Å; L28-L94 HydrophobicContact CD2-CD2 3.89Å; L28-L94 HydrophobicContact CG-CD2 4.03Å; A90-L94 WeakPolarHBondContact O-CA 3.21Å; A90-L94 WeakPolarHBondContact O-CB 3.44Å; A90-L94 PolarHBondContact O-N 2.95Å; L94-S96 VanDerWaalsContact C-N 3.34Å; L94-S96 PolarHBondContact O-N 3.05Å; L94-W97 PolarHBondContact O-N 2.86Å; L94-S98 VanDerWaalsContact O-CB 3.3Å; L94-S98 WeakPolarHBondContact O-CB 3.24Å; L94-S98 PolarHBondContact O-N 2.94Å; L94-S98 PolarHBondContact O-OG 2.89Å; L94-S98 VanDerWaalsContact O-OG 3.04Å; L94-A146 HydrophobicContact CD1-CB 4.19Å; L94-A146 WeakPolarHBondContact CD1-O 3.32Å; L94-F434 HydrophobicContact CD1-CD2 4.05Å; L94-F434 HydrophobicContact CD1-CE2 3.8Å
95K98.1Very high96.7Very high170 Ų17068.8 Ų68.874%0.73936%0.359SS*.Hα-helixtrans-59.4-44.3176.7-176.7176.4179.2-179.40111.8C93 S98 A99C93-K95 VanDerWaalsContact C-N 3.27Å; C93-K95 PolarHBondContact O-N 2.81Å; C93-K95 VanDerWaalsContact O-N 3.09Å; K95-S98 PolarHBondContact O-OG 2.95Å; K95-A99 PolarHBondContact O-N 2.96Å
96S98.1Very high96.1Very high78 Ų7866.5 Ų66.555%0.54535%0.347SS..Hα-helixtrans-72.9-40.1179.770.70000111.5C93 L94 S98 A99C93-S96 PolarHBondContact O-N 2.63Å; C93-S96 PolarHBondContact O-OG 2.84Å; L94-S96 VanDerWaalsContact C-N 3.34Å; L94-S96 PolarHBondContact O-N 3.05Å; S96-S98 PolarHBondContact O-N 2.93Å; S96-A99 WeakPolarHBondContact O-CB 3.37Å; S96-A99 PolarHBondContact O-N 3.35Å
97W98.1Very high95.4Very high24 Ų2467.9 Ų67.99%0.09136%0.355CS..Hα-helixtrans-61.1-43.5177.7-65.6-10000112.2V89 A90 C93 L94 A99 K118 K431 F434V89-W97 HydrophobicContact CG1-CH2 3.82Å; V89-W97 HydrophobicContact CG1-CZ2 3.91Å; A90-W97 HydrophobicContact CB-CH2 4.46Å; A90-W97 HydrophobicContact CB-CZ3 4.01Å; C93-W97 HydrophobicContact CB-CD2 3.8Å; C93-W97 HydrophobicContact CB-CE3 4.4Å; C93-W97 HydrophobicContact CB-CG 4.26Å; C93-W97 HydrophobicContact CB-CH2 4.13Å; C93-W97 HydrophobicContact CB-CZ2 3.46Å; C93-W97 VanDerWaalsContact CB-CZ2 3.46Å; C93-W97 PolarHBondContact O-N 3.06Å; L94-W97 PolarHBondContact O-N 2.86Å; W97-A99 VanDerWaalsContact C-N 3.33Å; W97-A99 PolarHBondContact O-N 2.78Å; W97-K118 VanDerWaalsContact O-CD 3.24Å; W97-K118 WeakPolarHBondContact O-CD 3.19Å; W97-K118 VanDerWaalsContact O-CE 3.26Å; W97-K118 WeakPolarHBondContact O-CE 3.38Å; W97-K118 PolarHBondContact O-NZ 2.83Å; W97-K431 HydrophobicContact CD2-CB 4.34Å; W97-K431 HydrophobicContact CD2-CG 4.22Å; W97-K431 HydrophobicContact CG-CG 4.21Å; W97-K431 HydrophobicContact CH2-CB 4.47Å; W97-K431 HydrophobicContact CZ2-CB 3.76Å; W97-K431 HydrophobicContact CZ2-CG 4.5Å; W97-F434 HydrophobicContact CB-CD1 3.82Å; W97-F434 HydrophobicContact CB-CD2 4.3Å; W97-F434 HydrophobicContact CB-CE1 3.87Å; W97-F434 HydrophobicContact CB-CE2 4.34Å; W97-F434 HydrophobicContact CB-CG 4.06Å; W97-F434 HydrophobicContact CB-CZ 4.14Å; W97-F434 HydrophobicContact CD2-CB 4.36Å; W97-F434 HydrophobicContact CD2-CG 4.46Å; W97-F434 HydrophobicContact CE3-CB 3.64Å; W97-F434 HydrophobicContact CE3-CD2 4.19Å; W97-F434 AromaticContact CE3-CG 3.92Å; W97-F434 HydrophobicContact CE3-CG 3.92Å; W97-F434 HydrophobicContact CZ3-CB 4.05Å; W97-F434 WeakPolarHBondContact O-CE1 3.41Å
98S97.8Very high94.8Very high25 Ų2569.4 Ų69.418%0.17536%0.363CS..Hα-helixtrans-73.1-17.8179.271.20000115.2L24 L94 K95 S96L24-S98 WeakPolarHBondContact CD2-OG 3.49Å; L94-S98 VanDerWaalsContact O-CB 3.3Å; L94-S98 WeakPolarHBondContact O-CB 3.24Å; L94-S98 PolarHBondContact O-N 2.94Å; L94-S98 PolarHBondContact O-OG 2.89Å; L94-S98 VanDerWaalsContact O-OG 3.04Å; K95-S98 PolarHBondContact O-OG 2.95Å; S96-S98 PolarHBondContact O-N 2.93Å
99A97.6Very high94.4Very high42 Ų4267.2 Ų67.235%0.34735%0.352SS..SBendtrans-66.1142.8-173.400000111.7K95 S96 W97 S101 K118K95-A99 PolarHBondContact O-N 2.96Å; S96-A99 WeakPolarHBondContact O-CB 3.37Å; S96-A99 PolarHBondContact O-N 3.35Å; W97-A99 VanDerWaalsContact C-N 3.33Å; W97-A99 PolarHBondContact O-N 2.78Å; A99-S101 PolarHBondContact O-N 3.3Å; A99-K118 PolarHBondContact O-NZ 2.86Å
100P97.1Very high93.8Very high84 Ų8467.7 Ų67.755%0.54535%0.354SS..PPolyproline II helixtrans-59.6136.2175.3-24.634.2000112.7F115 I116 T117P100-F115 HydrophobicContact CB-CD2 4Å; P100-I116 CarbonylContact C-O 3.42Å; P100-I116 WeakPolarHBondContact CA-O 3.29Å; P100-T117 HydrophobicContact CB-CG2 4.3Å; P100-T117 HydrophobicContact CG-CG2 4.3Å
101S96.4Very high93.3Very high47 Ų4771.3 Ų71.333%0.32937%0.372SS..EExtended strand (participates in β ladder)trans-96.7118.2177.8-54.70000109.9A99 F115 I116 K118A99-S101 PolarHBondContact O-N 3.3Å; S101-F115 CarbonylContact O-C 3.49Å; S101-F115 WeakPolarHBondContact O-CA 3.34Å; S101-F115 WeakPolarHBondContact O-CB 3.2Å; S101-I116 PolarHBondContact N-O 3.27Å; S101-I116 PolarHBondContact O-N 3.03Å; S101-K118 PolarHBondContact OG-NZ 3.05Å
102R94.2Very high93Very high237 Ų23769.2 Ų69.289%0.89436%0.359SS*.EExtended strand (participates in β ladder)trans-73.2145.2173.8-66.3-177.3-178.8-177.80.5110.4
103V92.5Very high92.8Very high60 Ų6063.8 Ų63.836%0.36434%0.343SS..  trans-118.2156178.9-60.40000111.8A114 I116V103-A114 HydrophobicContact CG2-CB 3.49Å; V103-A114 VanDerWaalsContact CG2-CB 3.49Å; V103-A114 PolarHBondContact N-O 3.1Å; V103-I116 HydrophobicContact CG1-CD1 3.83Å; V103-I116 HydrophobicContact CG1-CG1 4.01Å
104S89.6Confident92.7Very high110 Ų11062.9 Ų62.977%0.76934%0.338SS*.  trans-66.3149.5173.155.60000111.4
105R87.4Confident92.6Very high101 Ų10164.5 Ų64.538%0.38135%0.345SS..  trans-123.1153.3-179.8-68.4163.7-69.8154.17.5109.6Q109 D112 A114R105-Q109 HydrophobicContact CB-CB 4.01Å; R105-Q109 HydrophobicContact CG-CB 4.12Å; R105-D112 WeakPolarHBondContact CD-O 3.41Å; R105-D112 PolarHBondContact NH1-O 3.04Å; R105-A114 HydrophobicContact CG-CB 3.94Å
106N85Confident92.6Very high28 Ų2858.1 Ų58.115%0.1532%0.318CS..  trans-102.5-173.9170.671.830.3000110.6L108 Q109 L110 L478N106-L108 VanDerWaalsContact C-N 3.28Å; N106-L108 PolarHBondContact O-N 2.84Å; N106-L108 WeakPolarHBondContact OD1-CA 3.33Å; N106-L108 WeakPolarHBondContact OD1-CB 3.39Å; N106-L108 PolarHBondContact OD1-N 2.68Å; N106-Q109 PolarHBondContact ND2-OE1 3.48Å; N106-Q109 CarbonylContact O-C 3.47Å; N106-Q109 PolarHBondContact O-N 3.13Å; N106-Q109 PolarHBondContact OD1-N 3.28Å; N106-Q109 PolarHBondContact OD1-OE1 3.45Å; N106-L110 PolarHBondContact O-N 3.05Å; N106-L110 VanDerWaalsContact O-N 3.16Å; N106-L478 WeakPolarHBondContact O-CD1 3.48Å
107L84.5Confident92.6Very high43 Ų4355.9 Ų55.923%0.22530%0.301CS..G310 helixtrans-60.2-34.8-178.2-169.860.2000113.3Q109 L110 V472 A486 I490L107-Q109 PolarHBondContact O-N 3.5Å; L107-L110 HydrophobicContact CD1-CD2 4.16Å; L107-L110 VanDerWaalsContact O-CB 3.31Å; L107-L110 WeakPolarHBondContact O-CB 3.4Å; L107-L110 PolarHBondContact O-N 3.4Å; L107-V472 HydrophobicContact CD2-CG1 3.95Å; L107-V472 HydrophobicContact CG-CG1 4.16Å; L107-A486 HydrophobicContact CD1-CB 3.92Å; L107-I490 HydrophobicContact CD1-CD1 3.92Å
108L85.4Confident92.6Very high32 Ų3256.1 Ų56.117%0.16830%0.303CS..G310 helixtrans-64.8-29176.2-18062.1000112.4N106 R446 L454 V472 F473N106-L108 VanDerWaalsContact C-N 3.28Å; N106-L108 PolarHBondContact O-N 2.84Å; N106-L108 WeakPolarHBondContact OD1-CA 3.33Å; N106-L108 WeakPolarHBondContact OD1-CB 3.39Å; N106-L108 PolarHBondContact OD1-N 2.68Å; L108-R446 PolarHBondContact O-NH2 3.49Å; L108-L454 HydrophobicContact CD1-CD2 4.37Å; L108-V472 HydrophobicContact CB-CB 4.24Å; L108-V472 HydrophobicContact CB-CG2 4.3Å; L108-V472 HydrophobicContact CD1-CG2 4.04Å; L108-V472 PolarHBondContact N-O 3.08Å; L108-F473 HydrophobicContact CD2-CD2 4.12Å; L108-F473 HydrophobicContact CD2-CE1 4.32Å; L108-F473 HydrophobicContact CD2-CE2 3.81Å; L108-F473 HydrophobicContact CD2-CZ 3.92Å
109Q89.2Confident92.6Very high48 Ų4858.8 Ų58.822%0.22431%0.313CS..G310 helixtrans-106.922.3178.4-59.398.925.800112.9R105 N106 L107 L111 D112 L444R105-Q109 HydrophobicContact CB-CB 4.01Å; R105-Q109 HydrophobicContact CG-CB 4.12Å; N106-Q109 PolarHBondContact ND2-OE1 3.48Å; N106-Q109 CarbonylContact O-C 3.47Å; N106-Q109 PolarHBondContact O-N 3.13Å; N106-Q109 PolarHBondContact OD1-N 3.28Å; N106-Q109 PolarHBondContact OD1-OE1 3.45Å; L107-Q109 PolarHBondContact O-N 3.5Å; Q109-L111 PolarHBondContact O-N 3.4Å; Q109-D112 VanDerWaalsContact CA-OD2 3.27Å; Q109-D112 WeakPolarHBondContact CA-OD2 3.33Å; Q109-D112 HydrophobicContact CB-CB 4.04Å; Q109-D112 VanDerWaalsContact CB-OD2 3.28Å; Q109-D112 WeakPolarHBondContact CB-OD2 3.43Å; Q109-D112 VanDerWaalsContact CG-OD2 3.26Å; Q109-D112 WeakPolarHBondContact CG-OD2 3.42Å; Q109-D112 PolarHBondContact O-N 3.16Å; Q109-L444 HydrophobicContact CG-CD1 4.18Å
110L86Confident92.6Very high39 Ų3957.6 Ų57.620%0.20430%0.301CS..THydrogen-bonded Turntrans-53.9-41.2-174.7177.465.9000112.7N106 L107 L478 I490N106-L110 PolarHBondContact O-N 3.05Å; N106-L110 VanDerWaalsContact O-N 3.16Å; L107-L110 HydrophobicContact CD1-CD2 4.16Å; L107-L110 VanDerWaalsContact O-CB 3.31Å; L107-L110 WeakPolarHBondContact O-CB 3.4Å; L107-L110 PolarHBondContact O-N 3.4Å; L110-L478 HydrophobicContact CB-CD1 4.37Å; L110-L478 HydrophobicContact CD1-CD1 3.5Å; L110-L478 VanDerWaalsContact CD1-CD1 3.5Å; L110-I490 HydrophobicContact CD2-CD1 3.92Å
111L89.3Confident92.7Very high77 Ų7755.6 Ų55.640%0.40329%0.286SS..THydrogen-bonded Turntrans-91.6-5.8-178.8-57.5-179000113.5Q109 P447 Y449 L453Q109-L111 PolarHBondContact O-N 3.4Å; L111-P447 HydrophobicContact CB-CG 4.03Å; L111-P447 WeakPolarHBondContact O-CD 3.43Å; L111-Y449 HydrophobicContact CD1-CD2 4.48Å; L111-Y449 HydrophobicContact CD1-CE2 4.23Å; L111-L453 HydrophobicContact CD1-CD1 4.11Å
112D91.4Very high92.8Very high3 Ų353.3 Ų53.32%0.01627%0.27CS..  trans-85.2149.8-173.6-57.1-21000111.4R105 Q109 L444 K445 R446R105-D112 WeakPolarHBondContact CD-O 3.41Å; R105-D112 PolarHBondContact NH1-O 3.04Å; Q109-D112 VanDerWaalsContact CA-OD2 3.27Å; Q109-D112 WeakPolarHBondContact CA-OD2 3.33Å; Q109-D112 HydrophobicContact CB-CB 4.04Å; Q109-D112 VanDerWaalsContact CB-OD2 3.28Å; Q109-D112 WeakPolarHBondContact CB-OD2 3.43Å; Q109-D112 VanDerWaalsContact CG-OD2 3.26Å; Q109-D112 WeakPolarHBondContact CG-OD2 3.42Å; Q109-D112 PolarHBondContact O-N 3.16Å; D112-L444 HydrophobicContact CB-CD1 3.93Å; D112-L444 HydrophobicContact CB-CG 4.24Å; D112-K445 CarbonylContact C-O 3.46Å; D112-K445 VanDerWaalsContact CA-O 3.29Å; D112-K445 WeakPolarHBondContact CA-O 3.47Å; D112-R446 WeakPolarHBondContact OD1-CB 3.41Å; D112-R446 WeakPolarHBondContact OD1-CG 3.36Å; D112-R446 IonicContact OD1-CZ 3.31Å; D112-R446 IonicContact OD1-NE 3.2Å; D112-R446 PolarHBondContact OD1-NE 3.37Å; D112-R446 IonicContact OD1-NH2 2.69Å; D112-R446 IonicContact OD2-CZ 2.76Å; D112-R446 IonicContact OD2-NE 2.64Å; D112-R446 PolarHBondContact OD2-NE 2.91Å; D112-R446 IonicContact OD2-NH2 3.25Å; D112-R446 PolarHBondContact OD2-NH2 3.47Å
113S94Very high93Very high57 Ų5742 Ų4240%0.39923%0.228SC..EExtended strand (participates in β ladder)trans-95.7121162.4168.90000109.4K445S113-K445 PolarHBondContact N-O 3.35Å; S113-K445 PolarHBondContact O-N 3.04Å
114A95.7Very high93.3Very high14 Ų1439.2 Ų39.212%0.11621%0.21CC..EExtended strand (participates in β ladder)trans-121.3127.2-178.900000111.3V103 R105 V443 L444V103-A114 HydrophobicContact CG2-CB 3.49Å; V103-A114 VanDerWaalsContact CG2-CB 3.49Å; V103-A114 PolarHBondContact N-O 3.1Å; R105-A114 HydrophobicContact CG-CB 3.94Å; A114-V443 WeakPolarHBondContact CA-O 3.3Å; A114-L444 HydrophobicContact CB-CD1 4.04Å
115F97.3Very high93.8Very high36 Ų3634 Ų3416%0.15817%0.174CC..EExtended strand (participates in β ladder)trans-155.9162.2177.757.6-86.4000111.9P100 S101 T117 V443 K445P100-F115 HydrophobicContact CB-CD2 4Å; S101-F115 CarbonylContact O-C 3.49Å; S101-F115 WeakPolarHBondContact O-CA 3.34Å; S101-F115 WeakPolarHBondContact O-CB 3.2Å; F115-T117 HydrophobicContact CD2-CG2 3.66Å; F115-T117 HydrophobicContact CE2-CG2 3.48Å; F115-T117 VanDerWaalsContact CE2-CG2 3.48Å; F115-V443 HydrophobicContact CD2-CB 4.02Å; F115-V443 HydrophobicContact CD2-CG2 4.39Å; F115-V443 HydrophobicContact CE1-CB 4.21Å; F115-V443 HydrophobicContact CE1-CG1 3.85Å; F115-V443 HydrophobicContact CE2-CB 3.71Å; F115-V443 HydrophobicContact CE2-CG1 3.85Å; F115-V443 HydrophobicContact CE2-CG2 3.96Å; F115-V443 HydrophobicContact CG-CB 4.43Å; F115-V443 HydrophobicContact CZ-CB 3.81Å; F115-V443 HydrophobicContact CZ-CG1 3.44Å; F115-V443 VanDerWaalsContact CZ-CG1 3.44Å; F115-V443 HydrophobicContact CZ-CG2 4.41Å; F115-V443 PolarHBondContact N-O 3.47Å; F115-V443 WeakPolarHBondContact O-CA 3.36Å; F115-V443 PolarHBondContact O-N 3.2Å; F115-K445 HydrophobicContact CE1-CD 4.19Å; F115-K445 HydrophobicContact CE1-CG 4.47Å
116I98.1Very high94.3Very high36 Ų3629.1 Ų29.119%0.18516%0.156CC..EExtended strand (participates in β ladder)trans-106.8130.1175.7-61.1168.6000108.2P100 S101 V103 E440 K441P100-I116 CarbonylContact C-O 3.42Å; P100-I116 WeakPolarHBondContact CA-O 3.29Å; S101-I116 PolarHBondContact N-O 3.27Å; S101-I116 PolarHBondContact O-N 3.03Å; V103-I116 HydrophobicContact CG1-CD1 3.83Å; V103-I116 HydrophobicContact CG1-CG1 4.01Å; I116-E440 HydrophobicContact CG2-CB 3.68Å; I116-E440 HydrophobicContact CG2-CG 4.05Å; I116-K441 WeakPolarHBondContact CA-O 3.41Å
117T97.6Very high95Very high30 Ų3028.3 Ų28.318%0.18415%0.151CC..EExtended strand (participates in β ladder)trans-109.8139.2171.257.30000110P100 F115 K441 V443P100-T117 HydrophobicContact CB-CG2 4.3Å; P100-T117 HydrophobicContact CG-CG2 4.3Å; F115-T117 HydrophobicContact CD2-CG2 3.66Å; F115-T117 HydrophobicContact CE2-CG2 3.48Å; F115-T117 VanDerWaalsContact CE2-CG2 3.48Å; T117-K441 PolarHBondContact N-O 2.83Å; T117-K441 PolarHBondContact O-N 3.48Å; T117-V443 HydrophobicContact CG2-CG2 4.16Å
118K98Very high95.6Very high29 Ų2926.4 Ų26.413%0.12614%0.141CC..EExtended strand (participates in β ladder)trans-94.7129.2175.9-56.996.2169.9-158.10110W97 A99 S101 F434 H439W97-K118 VanDerWaalsContact O-CD 3.24Å; W97-K118 WeakPolarHBondContact O-CD 3.19Å; W97-K118 VanDerWaalsContact O-CE 3.26Å; W97-K118 WeakPolarHBondContact O-CE 3.38Å; W97-K118 PolarHBondContact O-NZ 2.83Å; A99-K118 PolarHBondContact O-NZ 2.86Å; S101-K118 PolarHBondContact OG-NZ 3.05Å; K118-F434 HydrophobicContact CB-CE1 4.09Å; K118-F434 HydrophobicContact CB-CZ 4.09Å; K118-F434 HydrophobicContact CG-CE1 4.08Å; K118-H439 WeakPolarHBondContact CA-O 3.34Å
119Q97.7Very high96.2Very high81 Ų8125.5 Ų25.538%0.37914%0.139SC..EExtended strand (participates in β ladder)trans-126139.7180-55.8-169.6-73.900109.5S438 H439Q119-S438 CarbonylContact O-C 3.51Å; Q119-S438 WeakPolarHBondContact O-CA 3.47Å; Q119-H439 PolarHBondContact N-O 3.04Å; Q119-H439 PolarHBondContact O-N 3.41Å
120P98.5Very high96.6Very high17 Ų1724.6 Ų24.611%0.1113%0.133CC..EExtended strand (participates in β ladder)trans-56.9152.1169.521.6-30.5000111.3F16 A147 G148 N149F16-P120 HydrophobicContact CE2-CB 3.7Å; F16-P120 HydrophobicContact CE2-CG 3.56Å; F16-P120 HydrophobicContact CZ-CB 4.18Å; F16-P120 HydrophobicContact CZ-CG 3.95Å; P120-A147 VanDerWaalsContact CB-O 3.24Å; P120-A147 WeakPolarHBondContact CB-O 3.25Å; P120-A147 WeakPolarHBondContact CD-O 3.36Å; P120-G148 VanDerWaalsContact CB-C 3.47Å; P120-G148 WeakPolarHBondContact CB-O 3.48Å; P120-N149 WeakPolarHBondContact CB-OD1 3.26Å
121L98.6Very high97.1Very high42 Ų4222.9 Ų22.922%0.2212%0.124CC..  trans-74.7-43179.5-60.9175.1000112N149 D198 H199 H439L121-N149 WeakPolarHBondContact CA-OD1 3.46Å; L121-N149 PolarHBondContact N-OD1 3.38Å; L121-D198 HydrophobicContact CB-CB 4.13Å; L121-D198 WeakPolarHBondContact O-CB 3.35Å; L121-H199 HydrophobicContact CD1-CB 3.69Å; L121-H439 HydrophobicContact CD2-CB 3.84Å
122G98.7Very high97.5Very high0 Ų020 Ų200%011%0.108CC..SBendtrans143.1-112.8-17900000113.3F16 N149 C150 D198F16-G122 VanDerWaalsContact CE1-CA 3.49Å; F16-G122 VanDerWaalsContact CZ-CA 3.49Å; G122-N149 PolarHBondContact N-OD1 3.03Å; G122-N149 WeakPolarHBondContact O-CA 3.35Å; G122-N149 WeakPolarHBondContact O-CB 3.39Å; G122-C150 PolarHBondContact O-N 2.95Å; G122-D198 WeakPolarHBondContact CA-OD2 3.37Å
123V98.8Very high97.8Very high0 Ų020 Ų200%011%0.108CC..EExtended strand (participates in β ladder)trans-99.6114175.6-171.10000109.5L12 R13 C150 F197 D198L12-V123 HydrophobicContact CB-CG1 3.84Å; L12-V123 HydrophobicContact CB-CG2 4.01Å; L12-V123 HydrophobicContact CD1-CG1 3.74Å; L12-V123 HydrophobicContact CG-CG1 4.46Å; R13-V123 HydrophobicContact CB-CG2 3.94Å; V123-C150 WeakPolarHBondContact CA-O 3.47Å; V123-F197 HydrophobicContact CB-CD1 4.49Å; V123-F197 HydrophobicContact CG1-CD1 3.88Å; V123-F197 HydrophobicContact CG1-CE1 4.01Å; V123-D198 PolarHBondContact N-OD2 3.44Å; V123-D198 PolarHBondContact O-N 2.93Å
124V98.9Very high98Very high0 Ų017.3 Ų17.30%09%0.089CC..EExtended strand (participates in β ladder)trans-100.3136.7-179.5175.20000109.8I126 A144 N149 C150 V151 M152 H199 F437V124-I126 HydrophobicContact CG1-CG1 3.99Å; V124-A144 HydrophobicContact CG1-CB 4.49Å; V124-N149 HydrophobicContact CB-CB 4.5Å; V124-N149 HydrophobicContact CG2-CB 3.7Å; V124-C150 PolarHBondContact N-O 3.22Å; V124-V151 HydrophobicContact CB-CG2 4.47Å; V124-V151 CarbonylContact O-C 3.39Å; V124-V151 WeakPolarHBondContact O-CA 3.44Å; V124-M152 PolarHBondContact O-N 3.22Å; V124-H199 WeakPolarHBondContact CA-O 3.06Å; V124-H199 HydrophobicContact CG1-CB 4.47Å; V124-H199 HydrophobicContact CG2-CB 4.12Å; V124-F437 HydrophobicContact CG1-CD1 3.89Å; V124-F437 HydrophobicContact CG1-CE1 3.51Å; V124-F437 HydrophobicContact CG1-CZ 4.46Å; V124-F437 HydrophobicContact CG2-CD1 3.99Å; V124-F437 HydrophobicContact CG2-CE1 4.46Å
125L98.9Very high98.1Very high0 Ų017.9 Ų17.90%09%0.09CC..EExtended strand (participates in β ladder)trans-100.2129.6166.3176.260.4000109.6I127 M152 K154 L192 L193 F197 H199 I200 F201L125-I127 HydrophobicContact CD1-CG1 4.17Å; L125-I127 HydrophobicContact CD2-CD1 3.86Å; L125-I127 HydrophobicContact CD2-CG1 3.99Å; L125-I127 HydrophobicContact CG-CD1 4.29Å; L125-I127 HydrophobicContact CG-CG1 3.85Å; L125-M152 WeakPolarHBondContact CA-O 3.24Å; L125-M152 HydrophobicContact CD1-CB 3.96Å; L125-M152 HydrophobicContact CD1-CG 3.68Å; L125-K154 HydrophobicContact CD1-CB 4.42Å; L125-L192 HydrophobicContact CD1-CD2 3.65Å; L125-L192 HydrophobicContact CD1-CG 4.36Å; L125-L192 HydrophobicContact CD2-CD2 4.19Å; L125-L192 HydrophobicContact CD2-CG 4.3Å; L125-L193 HydrophobicContact CD2-CD2 3.96Å; L125-F197 HydrophobicContact CB-CB 4.43Å; L125-F197 HydrophobicContact CB-CD1 3.61Å; L125-F197 HydrophobicContact CB-CD2 3.92Å; L125-F197 HydrophobicContact CB-CE1 3.74Å; L125-F197 HydrophobicContact CB-CE2 4.03Å; L125-F197 HydrophobicContact CB-CG 3.71Å; L125-F197 HydrophobicContact CB-CZ 3.95Å; L125-F197 HydrophobicContact CD1-CE1 4.48Å; L125-F197 HydrophobicContact CD1-CZ 4.19Å; L125-F197 HydrophobicContact CD2-CD2 3.97Å; L125-F197 HydrophobicContact CD2-CE2 3.69Å; L125-F197 HydrophobicContact CD2-CZ 4.11Å; L125-F197 HydrophobicContact CG-CE2 4.32Å; L125-F197 HydrophobicContact CG-CZ 4.3Å; L125-H199 PolarHBondContact N-O 2.89Å; L125-I200 HydrophobicContact CB-CG1 4.16Å; L125-I200 HydrophobicContact CB-CG2 4.44Å; L125-I200 HydrophobicContact CD2-CG1 4.33Å; L125-I200 HydrophobicContact CD2-CG2 4.2Å; L125-I200 HydrophobicContact CG-CG2 4.4Å; L125-I200 CarbonylContact O-C 3.49Å; L125-I200 WeakPolarHBondContact O-CA 3.27Å; L125-F201 PolarHBondContact O-N 3.48Å
126I98.9Very high98.1Very high0 Ų016.6 Ų16.60%09%0.085CC..EExtended strand (participates in β ladder)trans-117.3115.8171.8-57.3178.1000108.3V124 L137 P140 L141 V151 M152 L153 K154 F201V124-I126 HydrophobicContact CG1-CG1 3.99Å; I126-L137 HydrophobicContact CG2-CD1 4.4Å; I126-P140 HydrophobicContact CD1-CB 3.98Å; I126-P140 HydrophobicContact CD1-CG 4.19Å; I126-P140 HydrophobicContact CG2-CB 4.32Å; I126-P140 HydrophobicContact CG2-CG 3.69Å; I126-L141 HydrophobicContact CD1-CB 3.98Å; I126-V151 HydrophobicContact CD1-CG1 3.7Å; I126-V151 HydrophobicContact CG1-CG1 3.9Å; I126-M152 PolarHBondContact N-O 2.96Å; I126-L153 HydrophobicContact CB-CD2 3.94Å; I126-L153 HydrophobicContact CD1-CD2 4.04Å; I126-L153 HydrophobicContact CG1-CD2 4.39Å; I126-L153 HydrophobicContact CG2-CD2 4.45Å; I126-K154 PolarHBondContact O-N 3.35Å; I126-F201 CarbonylContact C-O 3.38Å; I126-F201 WeakPolarHBondContact CA-O 3.41Å; I126-F201 HydrophobicContact CG1-CB 4.26Å; I126-F201 HydrophobicContact CG2-CD1 4.41Å
127I98.8Very high98.1Very high10 Ų1014.9 Ų14.95%0.0518%0.076CC..EExtended strand (participates in β ladder)trans-109.2118.1174.6-52.8174.9000107.6L125 K154 T189 L193 F201 F202 T203 V212L125-I127 HydrophobicContact CD1-CG1 4.17Å; L125-I127 HydrophobicContact CD2-CD1 3.86Å; L125-I127 HydrophobicContact CD2-CG1 3.99Å; L125-I127 HydrophobicContact CG-CD1 4.29Å; L125-I127 HydrophobicContact CG-CG1 3.85Å; I127-K154 WeakPolarHBondContact CA-O 3.46Å; I127-K154 HydrophobicContact CG1-CB 4.14Å; I127-K154 HydrophobicContact CG2-CD 3.93Å; I127-T189 HydrophobicContact CD1-CG2 4.29Å; I127-L193 HydrophobicContact CD1-CD2 3.99Å; I127-L193 HydrophobicContact CD1-CG 4.46Å; I127-F201 PolarHBondContact N-O 2.63Å; I127-F202 HydrophobicContact CB-CD2 3.86Å; I127-F202 HydrophobicContact CD1-CD2 4.37Å; I127-F202 HydrophobicContact CG2-CD2 3.74Å; I127-F202 HydrophobicContact CG2-CE2 4.07Å; I127-F202 WeakPolarHBondContact O-CA 3.27Å; I127-T203 PolarHBondContact O-N 3.26Å; I127-V212 HydrophobicContact CD1-CG2 4.49Å
128S98.5Very high98.2Very high4 Ų413.4 Ų13.43%0.0287%0.068CC..  trans-109.3152-175.972.40000112.8L137 K154 S156S128-L137 WeakPolarHBondContact OG-CD1 3.28Å; S128-K154 PolarHBondContact N-O 3.18Å; S128-K154 VanDerWaalsContact N-O 3.16Å; S128-S156 WeakPolarHBondContact O-CB 3.43Å; S128-S156 PolarHBondContact O-N 3.28Å
129A98Very high98.2Very high13 Ų1312.1 Ų12.111%0.1076%0.062CC..  trans-77165.5171.900000112.1N131 L136 T203A129-N131 WeakPolarHBondContact CB-OD1 3.02Å; A129-L136 HydrophobicContact CB-CD1 4.15Å; A129-T203 HydrophobicContact CB-CG2 3.84Å; A129-T203 PolarHBondContact N-O 2.87Å
130W97.4Very high98.3Very high28 Ų288.3 Ų8.311%0.1064%0.044CC..SBendtrans-82.2-17.8-176.350.3-101000114.3L53 P133 V158 A159 Q258 V302 H306 F351L53-W130 HydrophobicContact CD2-CE3 3.89Å; L53-W130 HydrophobicContact CD2-CZ3 3.83Å; W130-P133 VanDerWaalsContact O-CD 3.31Å; W130-P133 WeakPolarHBondContact O-CD 3.28Å; W130-V158 HydrophobicContact CB-CB 3.81Å; W130-V158 HydrophobicContact CB-CG1 4.03Å; W130-V158 HydrophobicContact CD2-CG1 4.17Å; W130-V158 HydrophobicContact CG-CB 3.83Å; W130-V158 HydrophobicContact CG-CG1 3.73Å; W130-A159 HydrophobicContact CB-CB 3.81Å; W130-Q258 HydrophobicContact CH2-CB 4.03Å; W130-Q258 HydrophobicContact CH2-CG 4.03Å; W130-Q258 VanDerWaalsContact CH2-OE1 3.3Å; W130-Q258 HydrophobicContact CZ3-CB 3.97Å; W130-Q258 HydrophobicContact CZ3-CG 4.22Å; W130-V302 HydrophobicContact CD2-CB 4.42Å; W130-V302 HydrophobicContact CD2-CG1 4.23Å; W130-V302 HydrophobicContact CD2-CG2 4.15Å; W130-V302 HydrophobicContact CE3-CB 3.8Å; W130-V302 HydrophobicContact CE3-CG1 3.99Å; W130-V302 HydrophobicContact CE3-CG2 3.71Å; W130-V302 HydrophobicContact CH2-CB 3.96Å; W130-V302 HydrophobicContact CH2-CG1 3.52Å; W130-V302 HydrophobicContact CZ2-CG1 3.78Å; W130-V302 HydrophobicContact CZ3-CB 3.56Å; W130-V302 HydrophobicContact CZ3-CG1 3.66Å; W130-V302 HydrophobicContact CZ3-CG2 4.03Å; W130-H306 AromaticContact CZ2-CD2 3.97Å; W130-H306 AromaticContact CZ2-NE2 3.7Å; W130-F351 AromaticContact CH2-CD1 3.8Å; W130-F351 HydrophobicContact CH2-CD1 3.8Å; W130-F351 AromaticContact CH2-CE1 3.38Å; W130-F351 HydrophobicContact CH2-CE1 3.38Å; W130-F351 HydrophobicContact CZ2-CD1 4.03Å; W130-F351 AromaticContact CZ2-CE1 3.61Å; W130-F351 HydrophobicContact CZ2-CE1 3.61Å; W130-F351 HydrophobicContact CZ3-CE1 4.09Å
131N96.6Very high98.3Very high4 Ų47.5 Ų7.52%0.0214%0.039CC..SBendtrans-78.7-25-16867.6-51.2000113.7L53 K55 A129 L136 Q258 F351L53-N131 WeakPolarHBondContact CD1-O 3.41Å; K55-N131 WeakPolarHBondContact CE-O 3.38Å; K55-N131 PolarHBondContact NZ-O 3.36Å; A129-N131 WeakPolarHBondContact CB-OD1 3.02Å; N131-L136 WeakPolarHBondContact OD1-CD1 3.26Å; N131-Q258 VanDerWaalsContact CB-O 3.28Å; N131-Q258 WeakPolarHBondContact CB-O 3.44Å; N131-Q258 PolarHBondContact ND2-O 3.01Å; N131-F351 HydrophobicContact CB-CE1 3.95Å; N131-F351 HydrophobicContact CB-CZ 3.85Å; N131-F351 WeakPolarHBondContact ND2-CZ 3.31Å
132Y96.8Very high98.3Very high15 Ų155.6 Ų5.66%0.0593%0.029CC..SBendtrans-131.173.7163.5-65.8-95000108.8F78 E79 I134 N135 L136 T259F78-Y132 HydrophobicContact CB-CD1 4.08Å; F78-Y132 HydrophobicContact CB-CE1 3.8Å; F78-Y132 HydrophobicContact CG-CE1 4.28Å; E79-Y132 WeakPolarHBondContact OE1-CA 3.4Å; E79-Y132 WeakPolarHBondContact OE1-CD1 3.11Å; E79-Y132 VanDerWaalsContact OE2-C 3.23Å; Y132-I134 PolarHBondContact O-N 3.41Å; Y132-I134 VanDerWaalsContact O-N 3.12Å; Y132-N135 PolarHBondContact O-N 2.94Å; Y132-L136 HydrophobicContact CD2-CD1 4.26Å; Y132-L136 WeakPolarHBondContact O-CB 3.49Å; Y132-L136 PolarHBondContact O-N 2.73Å; Y132-T259 HydrophobicContact CE2-CG2 3.81Å; Y132-T259 WeakPolarHBondContact CE2-OG1 3.47Å; Y132-T259 WeakPolarHBondContact OH-CG2 3.37Å; Y132-T259 PolarHBondContact OH-OG1 3.49Å
133P97.6Very high98.3Very high4 Ų45.7 Ų5.73%0.0263%0.03CC..THydrogen-bonded Turntrans-71.1-14.1-15829.4-35.3000113.7V49 E79 W130 A159 S162V49-P133 HydrophobicContact CG2-CG 4.08Å; E79-P133 WeakPolarHBondContact OE1-CD 3.34Å; W130-P133 VanDerWaalsContact O-CD 3.31Å; W130-P133 WeakPolarHBondContact O-CD 3.28Å; P133-A159 HydrophobicContact CB-CB 3.65Å; P133-A159 HydrophobicContact CG-CB 4.12Å; P133-S162 WeakPolarHBondContact CG-OG 3.34Å
134I98.3Very high98.3Very high0 Ų05.7 Ų5.70%03%0.03CC..THydrogen-bonded Turntrans-98.9-53.7175-48.5-51000109.7L45 V49 E79 Y132 L136 L137 L138 M166L45-I134 HydrophobicContact CD2-CD1 4.14Å; L45-I134 HydrophobicContact CD2-CG1 4.38Å; L45-I134 HydrophobicContact CD2-CG2 4.35Å; V49-I134 HydrophobicContact CG2-CG1 3.84Å; E79-I134 HydrophobicContact CB-CB 4.07Å; E79-I134 HydrophobicContact CB-CG1 4.36Å; E79-I134 WeakPolarHBondContact OE2-CB 3.27Å; E79-I134 PolarHBondContact OE2-N 3.16Å; Y132-I134 PolarHBondContact O-N 3.41Å; Y132-I134 VanDerWaalsContact O-N 3.12Å; I134-L136 PolarHBondContact O-N 3.06Å; I134-L137 PolarHBondContact O-N 2.85Å; I134-L138 HydrophobicContact CG2-CD1 3.63Å; I134-L138 HydrophobicContact CG2-CG 4.28Å; I134-L138 WeakPolarHBondContact O-CB 3.4Å; I134-L138 WeakPolarHBondContact O-CG 3.45Å; I134-L138 PolarHBondContact O-N 2.78Å; I134-M166 HydrophobicContact CD1-CE 3.75Å; I134-M166 HydrophobicContact CD1-CG 3.92Å; I134-M166 HydrophobicContact CD1-SD 3.93Å; I134-M166 HydrophobicContact CG2-CE 4.5Å; I134-M166 HydrophobicContact CG2-SD 4.39Å
135N97.3Very high98.3Very high26 Ų265.9 Ų5.914%0.1393%0.031CC..Hα-helixtrans-59.5-51-175.7164.912.6000112.2F78 E79 V83 Y132 L137 L138 V139F78-N135 WeakPolarHBondContact O-CB 3.27Å; F78-N135 PolarHBondContact O-ND2 2.77Å; E79-N135 PolarHBondContact OE2-N 2.89Å; V83-N135 HydrophobicContact CG2-CB 4.4Å; Y132-N135 PolarHBondContact O-N 2.94Å; N135-L137 PolarHBondContact O-N 3.36Å; N135-L137 VanDerWaalsContact O-N 3.11Å; N135-L138 PolarHBondContact O-N 3.34Å; N135-L138 VanDerWaalsContact O-N 3.1Å; N135-V139 PolarHBondContact O-N 3.46Å; N135-V139 WeakPolarHBondContact OD1-CG2 3.45Å
136L98.4Very high98.3Very high9 Ų95.9 Ų5.95%0.0473%0.031CC..Hα-helixtrans-66.5-18.2-177.1-67.4168.9000113.3A129 N131 Y132 I134 P140 T203A129-L136 HydrophobicContact CB-CD1 4.15Å; N131-L136 WeakPolarHBondContact OD1-CD1 3.26Å; Y132-L136 HydrophobicContact CD2-CD1 4.26Å; Y132-L136 WeakPolarHBondContact O-CB 3.49Å; Y132-L136 PolarHBondContact O-N 2.73Å; I134-L136 PolarHBondContact O-N 3.06Å; L136-P140 WeakPolarHBondContact O-CD 3.14Å; L136-P140 VanDerWaalsContact O-CG 3.32Å; L136-P140 WeakPolarHBondContact O-CG 3.43Å; L136-T203 HydrophobicContact CB-CG2 4.5Å; L136-T203 HydrophobicContact CD1-CG2 3.79Å; L136-T203 HydrophobicContact CD2-CG2 4.04Å; L136-T203 HydrophobicContact CG-CG2 4.31Å
137L98.7Very high98.3Very high0 Ų05.9 Ų5.90%03%0.031CC..Hα-helixtrans-84.4-43.8172.8-16871.8000111.5I126 S128 I134 N135 L153 P155 M166I126-L137 HydrophobicContact CG2-CD1 4.4Å; S128-L137 WeakPolarHBondContact OG-CD1 3.28Å; I134-L137 PolarHBondContact O-N 2.85Å; N135-L137 PolarHBondContact O-N 3.36Å; N135-L137 VanDerWaalsContact O-N 3.11Å; L137-L153 HydrophobicContact CD1-CB 4.06Å; L137-L153 HydrophobicContact CD1-CD2 4.01Å; L137-L153 HydrophobicContact CD2-CB 4.48Å; L137-L153 HydrophobicContact CD2-CD1 4.26Å; L137-L153 HydrophobicContact CG-CB 4.49Å; L137-L153 HydrophobicContact CG-CD1 4.41Å; L137-L153 HydrophobicContact CG-CD2 4.13Å; L137-P155 HydrophobicContact CD1-CB 4.43Å; L137-P155 HydrophobicContact CD2-CB 4.18Å; L137-M166 HydrophobicContact CD2-CB 4.1Å; L137-M166 HydrophobicContact CD2-CG 3.87Å; L137-M166 HydrophobicContact CD2-SD 4.23Å
138L98.8Very high98.3Very high0 Ų05.5 Ų5.50%03%0.029CC..Hα-helixtrans-91.5-32.2-166.7-60.7-174.4000114.2M34 M37 L38 V83 I134 N135 L141 V142 M166 I170M34-L138 HydrophobicContact SD-CB 4.42Å; M37-L138 HydrophobicContact CE-CD1 3.95Å; L38-L138 HydrophobicContact CD2-CD1 3.77Å; V83-L138 HydrophobicContact CG1-CB 3.69Å; V83-L138 HydrophobicContact CG2-CB 4.02Å; I134-L138 HydrophobicContact CG2-CD1 3.63Å; I134-L138 HydrophobicContact CG2-CG 4.28Å; I134-L138 WeakPolarHBondContact O-CB 3.4Å; I134-L138 WeakPolarHBondContact O-CG 3.45Å; I134-L138 PolarHBondContact O-N 2.78Å; N135-L138 PolarHBondContact O-N 3.34Å; N135-L138 VanDerWaalsContact O-N 3.1Å; L138-L141 HydrophobicContact CD2-CD2 3.76Å; L138-L141 WeakPolarHBondContact O-CA 3.32Å; L138-L141 VanDerWaalsContact O-CB 3.32Å; L138-L141 WeakPolarHBondContact O-CB 3.44Å; L138-L141 PolarHBondContact O-N 3.28Å; L138-L141 VanDerWaalsContact O-N 3.11Å; L138-V142 WeakPolarHBondContact O-CG2 3.37Å; L138-V142 PolarHBondContact O-N 2.72Å; L138-M166 HydrophobicContact CD1-SD 4.29Å; L138-M166 HydrophobicContact CD2-SD 4.38Å; L138-M166 HydrophobicContact CG-SD 4.48Å; L138-I170 HydrophobicContact CD2-CD1 4.48Å
139V98.5Very high98.3Very high2 Ų25.4 Ų5.41%0.0123%0.029CC..Hα-helixtrans-58.7-51.1175.8172.10000112.5V83 E86 N135 L141 V142 Y428V83-V139 HydrophobicContact CG2-CG2 3.96Å; E86-V139 HydrophobicContact CG-CG1 3.96Å; E86-V139 HydrophobicContact CG-CG2 4.29Å; N135-V139 PolarHBondContact O-N 3.46Å; N135-V139 WeakPolarHBondContact OD1-CG2 3.45Å; V139-L141 PolarHBondContact O-N 3.35Å; V139-V142 WeakPolarHBondContact O-CB 3.24Å; V139-V142 PolarHBondContact O-N 2.96Å; V139-Y428 HydrophobicContact CB-CE2 4.2Å; V139-Y428 HydrophobicContact CG1-CD2 3.77Å; V139-Y428 HydrophobicContact CG1-CE2 3.5Å
140P98.7Very high98.3Very high0 Ų04.8 Ų4.80%02%0.023CC..Hα-helixtrans-63.7-29.5174.224.3-33.9000112.6I126 L136 V142 G143 A144 F201 F437I126-P140 HydrophobicContact CD1-CB 3.98Å; I126-P140 HydrophobicContact CD1-CG 4.19Å; I126-P140 HydrophobicContact CG2-CB 4.32Å; I126-P140 HydrophobicContact CG2-CG 3.69Å; L136-P140 WeakPolarHBondContact O-CD 3.14Å; L136-P140 VanDerWaalsContact O-CG 3.32Å; L136-P140 WeakPolarHBondContact O-CG 3.43Å; P140-V142 PolarHBondContact O-N 2.89Å; P140-G143 PolarHBondContact O-N 3.38Å; P140-A144 PolarHBondContact O-N 3.21Å; P140-F201 HydrophobicContact CB-CD1 3.93Å; P140-F201 HydrophobicContact CB-CD2 4.08Å; P140-F201 HydrophobicContact CB-CE1 3.93Å; P140-F201 HydrophobicContact CB-CE2 4.07Å; P140-F201 HydrophobicContact CB-CG 4.02Å; P140-F201 HydrophobicContact CB-CZ 4Å; P140-F201 HydrophobicContact CG-CD1 4.06Å; P140-F201 HydrophobicContact CG-CE1 3.96Å; P140-F201 HydrophobicContact CG-CZ 4.41Å; P140-F437 HydrophobicContact CB-CE2 4.14Å; P140-F437 HydrophobicContact CB-CZ 4.02Å; P140-F437 WeakPolarHBondContact O-CE2 3.48Å
141L98.9Very high98.4Very high0 Ų03.4 Ų3.40%02%0.018CC..Hα-helixtrans-63.9-38.2175.5178.164.6000112.2M34 I126 L138 V139 G143 A144 L145 V151 L153 I170 V179M34-L141 HydrophobicContact CE-CB 4.19Å; M34-L141 HydrophobicContact CE-CD2 3.43Å; M34-L141 VanDerWaalsContact CE-CD2 3.43Å; M34-L141 HydrophobicContact CE-CG 3.5Å; I126-L141 HydrophobicContact CD1-CB 3.98Å; L138-L141 HydrophobicContact CD2-CD2 3.76Å; L138-L141 WeakPolarHBondContact O-CA 3.32Å; L138-L141 VanDerWaalsContact O-CB 3.32Å; L138-L141 WeakPolarHBondContact O-CB 3.44Å; L138-L141 PolarHBondContact O-N 3.28Å; L138-L141 VanDerWaalsContact O-N 3.11Å; V139-L141 PolarHBondContact O-N 3.35Å; L141-G143 VanDerWaalsContact C-N 3.29Å; L141-G143 PolarHBondContact O-N 3.35Å; L141-A144 PolarHBondContact O-N 2.88Å; L141-L145 HydrophobicContact CD1-CD1 3.95Å; L141-L145 HydrophobicContact CD1-CD2 4.4Å; L141-L145 HydrophobicContact CD1-CG 3.87Å; L141-L145 HydrophobicContact CD2-CD1 4.5Å; L141-L145 HydrophobicContact CG-CD1 3.88Å; L141-L145 HydrophobicContact CG-CG 4.23Å; L141-L145 WeakPolarHBondContact O-CB 3.45Å; L141-L145 WeakPolarHBondContact O-CG 3.44Å; L141-L145 PolarHBondContact O-N 3.49Å; L141-V151 HydrophobicContact CD1-CB 3.69Å; L141-V151 HydrophobicContact CD1-CG1 3.69Å; L141-V151 HydrophobicContact CD1-CG2 3.7Å; L141-L153 HydrophobicContact CB-CD2 4.38Å; L141-L153 HydrophobicContact CD1-CD2 4.17Å; L141-L153 HydrophobicContact CD2-CD1 3.88Å; L141-L153 HydrophobicContact CD2-CD2 4.28Å; L141-I170 HydrophobicContact CD2-CD1 4.46Å; L141-V179 HydrophobicContact CD1-CG1 4.13Å; L141-V179 HydrophobicContact CD1-CG2 4.27Å; L141-V179 HydrophobicContact CD2-CG1 4.34Å
142V98.9Very high98.5Very high2 Ų23.3 Ų3.31%0.0122%0.018CC..Hα-helixtrans-54.5-49.1172.8174.30000110.2L31 M34 V83 E86 I87 A90 L138 V139 P140 A146L31-V142 HydrophobicContact CD2-CB 4.5Å; L31-V142 HydrophobicContact CD2-CG1 3.91Å; M34-V142 HydrophobicContact CE-CG2 4.27Å; M34-V142 HydrophobicContact SD-CG2 3.75Å; V83-V142 HydrophobicContact CG1-CG2 4.16Å; E86-V142 HydrophobicContact CB-CB 4.45Å; E86-V142 HydrophobicContact CB-CG1 4.2Å; E86-V142 HydrophobicContact CB-CG2 4.33Å; I87-V142 HydrophobicContact CD1-CG2 4.46Å; I87-V142 HydrophobicContact CG1-CG1 4.42Å; I87-V142 HydrophobicContact CG1-CG2 3.58Å; A90-V142 HydrophobicContact CB-CG1 3.76Å; L138-V142 WeakPolarHBondContact O-CG2 3.37Å; L138-V142 PolarHBondContact O-N 2.72Å; V139-V142 WeakPolarHBondContact O-CB 3.24Å; V139-V142 PolarHBondContact O-N 2.96Å; P140-V142 PolarHBondContact O-N 2.89Å; V142-A146 WeakPolarHBondContact O-CB 3.5Å; V142-A146 PolarHBondContact O-N 3.42Å
143G98.7Very high98.6Very high2 Ų22.6 Ų2.62%0.0212%0.015CC..Hα-helixtrans-57.4-50.7175.700000113.7P140 L141 L145 A146 A147P140-G143 PolarHBondContact O-N 3.38Å; L141-G143 VanDerWaalsContact C-N 3.29Å; L141-G143 PolarHBondContact O-N 3.35Å; G143-L145 PolarHBondContact O-N 3.5Å; G143-A146 PolarHBondContact O-N 3.4Å; G143-A147 WeakPolarHBondContact O-CB 3.32Å; G143-A147 PolarHBondContact O-N 3.35Å
144A98.9Very high98.6Very high0 Ų02.8 Ų2.80%02%0.015CC..Hα-helixtrans-62.3-42.8-177.300000112V124 P140 L141 A147 G148 N149 V151 F437V124-A144 HydrophobicContact CG1-CB 4.49Å; P140-A144 PolarHBondContact O-N 3.21Å; L141-A144 PolarHBondContact O-N 2.88Å; A144-A147 PolarHBondContact O-N 2.95Å; A144-G148 PolarHBondContact O-N 3.38Å; A144-G148 VanDerWaalsContact O-N 3.11Å; A144-N149 HydrophobicContact CB-CB 4.42Å; A144-N149 WeakPolarHBondContact O-CB 3.3Å; A144-N149 PolarHBondContact O-N 2.91Å; A144-N149 PolarHBondContact O-ND2 3.41Å; A144-V151 HydrophobicContact CB-CG2 3.67Å; A144-F437 HydrophobicContact CB-CB 4.46Å; A144-F437 HydrophobicContact CB-CD1 4.14Å; A144-F437 HydrophobicContact CB-CD2 4.04Å; A144-F437 HydrophobicContact CB-CE1 4.39Å; A144-F437 HydrophobicContact CB-CE2 4.29Å; A144-F437 HydrophobicContact CB-CG 3.96Å; A144-F437 HydrophobicContact CB-CZ 4.45Å; A144-F437 VanDerWaalsContact N-CD2 3.29Å
145L98.9Very high98.6Very high4 Ų43 Ų32%0.0212%0.017CC..Hα-helixtrans-68.7-41.8176.2-68.8174.7000112.2Q30 L31 M34 L141 G143 A147 G148 F174 T178 V179Q30-L145 HydrophobicContact CB-CB 4.5Å; Q30-L145 HydrophobicContact CB-CD1 4.12Å; Q30-L145 HydrophobicContact CB-CD2 4.15Å; Q30-L145 HydrophobicContact CG-CD2 4.39Å; L31-L145 HydrophobicContact CD2-CB 4.27Å; M34-L145 HydrophobicContact CE-CD1 3.46Å; M34-L145 VanDerWaalsContact CE-CD1 3.46Å; L141-L145 HydrophobicContact CD1-CD1 3.95Å; L141-L145 HydrophobicContact CD1-CD2 4.4Å; L141-L145 HydrophobicContact CD1-CG 3.87Å; L141-L145 HydrophobicContact CD2-CD1 4.5Å; L141-L145 HydrophobicContact CG-CD1 3.88Å; L141-L145 HydrophobicContact CG-CG 4.23Å; L141-L145 WeakPolarHBondContact O-CB 3.45Å; L141-L145 WeakPolarHBondContact O-CG 3.44Å; L141-L145 PolarHBondContact O-N 3.49Å; G143-L145 PolarHBondContact O-N 3.5Å; L145-A147 VanDerWaalsContact C-N 3.29Å; L145-A147 PolarHBondContact O-N 3.47Å; L145-G148 WeakPolarHBondContact O-CA 3.47Å; L145-G148 PolarHBondContact O-N 3.36Å; L145-F174 HydrophobicContact CD1-CE1 4Å; L145-F174 HydrophobicContact CD1-CZ 4.39Å; L145-T178 HydrophobicContact CD2-CG2 4.42Å; L145-V179 HydrophobicContact CD2-CG2 3.82Å
146A98.8Very high98.7Very high1 Ų12.3 Ų2.31%0.0081%0.014CC..Hα-helixtrans-60-40.8175.300000111.4R27 L31 A90 L94 V142 G143 G148 F434R27-A146 WeakPolarHBondContact CD-O 3.25Å; R27-A146 PolarHBondContact NH1-O 3.24Å; R27-A146 VanDerWaalsContact NH1-O 3.11Å; L31-A146 HydrophobicContact CD1-CB 4.42Å; A90-A146 HydrophobicContact CB-CB 4.35Å; L94-A146 HydrophobicContact CD1-CB 4.19Å; L94-A146 WeakPolarHBondContact CD1-O 3.32Å; V142-A146 WeakPolarHBondContact O-CB 3.5Å; V142-A146 PolarHBondContact O-N 3.42Å; G143-A146 PolarHBondContact O-N 3.4Å; A146-G148 VanDerWaalsContact C-N 3.27Å; A146-G148 PolarHBondContact O-N 3.25Å; A146-F434 HydrophobicContact CB-CD2 4.24Å
147A98.7Very high98.6Very high0 Ų05.1 Ų5.10%03%0.027CC..Hα-helixtrans-70.3-21.817500000113.5R27 P120 G143 A144 L145 N149 F434 F437 S438R27-A147 VanDerWaalsContact CZ-O 3.22Å; R27-A147 PolarHBondContact NH1-O 2.99Å; P120-A147 VanDerWaalsContact CB-O 3.24Å; P120-A147 WeakPolarHBondContact CB-O 3.25Å; P120-A147 WeakPolarHBondContact CD-O 3.36Å; G143-A147 WeakPolarHBondContact O-CB 3.32Å; G143-A147 PolarHBondContact O-N 3.35Å; A144-A147 PolarHBondContact O-N 2.95Å; L145-A147 VanDerWaalsContact C-N 3.29Å; L145-A147 PolarHBondContact O-N 3.47Å; A147-N149 WeakPolarHBondContact CB-ND2 3.49Å; A147-F434 HydrophobicContact CB-CD2 4.21Å; A147-F434 HydrophobicContact CB-CE2 4.39Å; A147-F437 HydrophobicContact CB-CB 3.75Å; A147-F437 WeakPolarHBondContact CB-O 3.48Å; A147-S438 WeakPolarHBondContact CB-OG 3.14Å
148G98.6Very high98.5Very high1 Ų17.5 Ų7.51%0.014%0.042CC..THydrogen-bonded Turntrans99.927.117500000114.5T21 P120 A144 L145 A146T21-G148 WeakPolarHBondContact CB-O 3.48Å; T21-G148 PolarHBondContact OG1-O 2.95Å; P120-G148 VanDerWaalsContact CB-C 3.47Å; P120-G148 WeakPolarHBondContact CB-O 3.48Å; A144-G148 PolarHBondContact O-N 3.38Å; A144-G148 VanDerWaalsContact O-N 3.11Å; L145-G148 WeakPolarHBondContact O-CA 3.47Å; L145-G148 PolarHBondContact O-N 3.36Å; A146-G148 VanDerWaalsContact C-N 3.27Å; A146-G148 PolarHBondContact O-N 3.25Å
149N98.9Very high98.5Very high2 Ų27.6 Ų7.61%0.0114%0.042CC..  trans-87.2157.2-179.7-60.3-77.4000112P120 L121 G122 V124 A144 A147 F437P120-N149 WeakPolarHBondContact CB-OD1 3.26Å; L121-N149 WeakPolarHBondContact CA-OD1 3.46Å; L121-N149 PolarHBondContact N-OD1 3.38Å; G122-N149 PolarHBondContact N-OD1 3.03Å; G122-N149 WeakPolarHBondContact O-CA 3.35Å; G122-N149 WeakPolarHBondContact O-CB 3.39Å; V124-N149 HydrophobicContact CB-CB 4.5Å; V124-N149 HydrophobicContact CG2-CB 3.7Å; A144-N149 HydrophobicContact CB-CB 4.42Å; A144-N149 WeakPolarHBondContact O-CB 3.3Å; A144-N149 PolarHBondContact O-N 2.91Å; A144-N149 PolarHBondContact O-ND2 3.41Å; A147-N149 WeakPolarHBondContact CB-ND2 3.49Å; N149-F437 PolarHBondContact ND2-O 2.92Å
150C98.8Very high98.4Very high0 Ų08.1 Ų8.10%05%0.048CC..EExtended strand (participates in β ladder)trans-87.8147.9158.9-66.70000108.8L12 G122 V123 V124 T178L12-C150 HydrophobicContact CB-CB 3.91Å; L12-C150 HydrophobicContact CD2-CB 4.15Å; L12-C150 HydrophobicContact CG-CB 4.49Å; G122-C150 PolarHBondContact O-N 2.95Å; V123-C150 WeakPolarHBondContact CA-O 3.47Å; V124-C150 PolarHBondContact N-O 3.22Å; C150-T178 CarbonylContact C-O 3.55Å; C150-T178 WeakPolarHBondContact CA-O 3.49Å
151V98.9Very high98.3Very high0 Ų011.7 Ų11.70%07%0.065CC..EExtended strand (participates in β ladder)trans-134130.7-168.4-168.70000112.6V124 I126 L141 A144 L153 T178 V179 T180V124-V151 HydrophobicContact CB-CG2 4.47Å; V124-V151 CarbonylContact O-C 3.39Å; V124-V151 WeakPolarHBondContact O-CA 3.44Å; I126-V151 HydrophobicContact CD1-CG1 3.7Å; I126-V151 HydrophobicContact CG1-CG1 3.9Å; L141-V151 HydrophobicContact CD1-CB 3.69Å; L141-V151 HydrophobicContact CD1-CG1 3.69Å; L141-V151 HydrophobicContact CD1-CG2 3.7Å; A144-V151 HydrophobicContact CB-CG2 3.67Å; V151-L153 HydrophobicContact CG1-CD2 3.78Å; V151-L153 HydrophobicContact CG1-CG 4.33Å; V151-T178 PolarHBondContact N-O 3.43Å; V151-V179 WeakPolarHBondContact O-CA 3.37Å; V151-T180 PolarHBondContact O-N 3.26Å
152M98.6Very high98.3Very high1 Ų111.7 Ų11.71%0.0057%0.065CC..EExtended strand (participates in β ladder)trans-98.1125.5163.8-179.674.77500108.4A8 V9 L12 V124 L125 I126 T180 F182 L192 F197A8-M152 HydrophobicContact CB-CE 3.69Å; V9-M152 HydrophobicContact CG2-CE 3.82Å; L12-M152 HydrophobicContact CD1-CB 4.08Å; L12-M152 HydrophobicContact CD1-CE 4.33Å; V124-M152 PolarHBondContact O-N 3.22Å; L125-M152 WeakPolarHBondContact CA-O 3.24Å; L125-M152 HydrophobicContact CD1-CB 3.96Å; L125-M152 HydrophobicContact CD1-CG 3.68Å; I126-M152 PolarHBondContact N-O 2.96Å; M152-T180 HydrophobicContact CE-CG2 3.85Å; M152-T180 HydrophobicContact SD-CG2 3.43Å; M152-T180 WeakPolarHBondContact SD-CG2 3.31Å; M152-F182 HydrophobicContact CG-CB 4.4Å; M152-F182 HydrophobicContact SD-CB 3.68Å; M152-L192 HydrophobicContact CE-CD1 4.25Å; M152-L192 HydrophobicContact CG-CD1 4.31Å; M152-L192 HydrophobicContact CG-CD2 4.4Å; M152-F197 HydrophobicContact CB-CE1 3.86Å; M152-F197 HydrophobicContact CB-CZ 4.32Å; M152-F197 HydrophobicContact CG-CE1 4.41Å; M152-F197 HydrophobicContact CG-CZ 4.38Å
153L98.8Very high98.3Very high0 Ų011.8 Ų11.80%07%0.066CC..EExtended strand (participates in β ladder)trans-105.4127.4178.3-65179.3000109.8I126 L137 L141 V151 I170 V179 T180 V181 F182I126-L153 HydrophobicContact CB-CD2 3.94Å; I126-L153 HydrophobicContact CD1-CD2 4.04Å; I126-L153 HydrophobicContact CG1-CD2 4.39Å; I126-L153 HydrophobicContact CG2-CD2 4.45Å; L137-L153 HydrophobicContact CD1-CB 4.06Å; L137-L153 HydrophobicContact CD1-CD2 4.01Å; L137-L153 HydrophobicContact CD2-CB 4.48Å; L137-L153 HydrophobicContact CD2-CD1 4.26Å; L137-L153 HydrophobicContact CG-CB 4.49Å; L137-L153 HydrophobicContact CG-CD1 4.41Å; L137-L153 HydrophobicContact CG-CD2 4.13Å; L141-L153 HydrophobicContact CB-CD2 4.38Å; L141-L153 HydrophobicContact CD1-CD2 4.17Å; L141-L153 HydrophobicContact CD2-CD1 3.88Å; L141-L153 HydrophobicContact CD2-CD2 4.28Å; V151-L153 HydrophobicContact CG1-CD2 3.78Å; V151-L153 HydrophobicContact CG1-CG 4.33Å; L153-I170 HydrophobicContact CD1-CD1 3.93Å; L153-I170 HydrophobicContact CD1-CG1 3.97Å; L153-V179 HydrophobicContact CD1-CG1 3.67Å; L153-V179 HydrophobicContact CG-CG1 4.03Å; L153-T180 PolarHBondContact N-O 3.44Å; L153-V181 HydrophobicContact CB-CG2 4.03Å; L153-V181 HydrophobicContact CD1-CG2 4.14Å; L153-V181 CarbonylContact O-C 3.59Å; L153-V181 WeakPolarHBondContact O-CA 3.43Å; L153-F182 PolarHBondContact O-N 3.41Å
154K98.4Very high98.2Very high8 Ų818.2 Ų18.24%0.0359%0.09CC..EExtended strand (participates in β ladder)trans-119.588.2172.1-164-93.1151153.90109L125 I126 I127 S128 E157 F182 G184 T189 L192L125-K154 HydrophobicContact CD1-CB 4.42Å; I126-K154 PolarHBondContact O-N 3.35Å; I127-K154 WeakPolarHBondContact CA-O 3.46Å; I127-K154 HydrophobicContact CG1-CB 4.14Å; I127-K154 HydrophobicContact CG2-CD 3.93Å; S128-K154 PolarHBondContact N-O 3.18Å; S128-K154 VanDerWaalsContact N-O 3.16Å; K154-E157 IonicContact NZ-OE2 3.3Å; K154-E157 PolarHBondContact NZ-OE2 3.06Å; K154-F182 HydrophobicContact CG-CD1 4.25Å; K154-G184 WeakPolarHBondContact CE-O 3.13Å; K154-G184 PolarHBondContact NZ-O 3.46Å; K154-T189 HydrophobicContact CD-CG2 4.26Å; K154-T189 VanDerWaalsContact CE-OG1 3.25Å; K154-T189 WeakPolarHBondContact CE-OG1 2.85Å; K154-T189 PolarHBondContact NZ-OG1 2.69Å; K154-L192 HydrophobicContact CB-CD2 4.29Å; K154-L192 HydrophobicContact CG-CD2 4.29Å
155P98.4Very high98.2Very high4 Ų419.2 Ų19.23%0.02610%0.095CC..  trans-66.3152.4171.228.9-33.6000110.3L137 E157 A163 V181 L183L137-P155 HydrophobicContact CD1-CB 4.43Å; L137-P155 HydrophobicContact CD2-CB 4.18Å; P155-E157 PolarHBondContact O-N 3.2Å; P155-A163 HydrophobicContact CB-CB 3.89Å; P155-A163 HydrophobicContact CG-CB 3.83Å; P155-V181 HydrophobicContact CG-CG1 3.94Å; P155-L183 HydrophobicContact CG-CD2 3.75Å
156S98Very high98.2Very high13 Ų1319 Ų199%0.0919%0.094CC..  trans-67.6131.1176-178.40000111.7S128 V158 A159S128-S156 WeakPolarHBondContact O-CB 3.43Å; S128-S156 PolarHBondContact O-N 3.28Å; S156-V158 PolarHBondContact O-N 2.92Å; S156-V158 PolarHBondContact OG-N 3.45Å; S156-A159 PolarHBondContact O-N 3.3Å
157E96.7Very high98.2Very high68 Ų6821.6 Ų21.632%0.31811%0.107SC..THydrogen-bonded Turntrans-61.2-24172.667.7-72.616900113.3K154 P155 A159 G160 E185K154-E157 IonicContact NZ-OE2 3.3Å; K154-E157 PolarHBondContact NZ-OE2 3.06Å; P155-E157 PolarHBondContact O-N 3.2Å; E157-A159 VanDerWaalsContact C-N 3.3Å; E157-A159 PolarHBondContact O-N 2.84Å; E157-G160 PolarHBondContact O-N 2.97Å; E157-E185 HydrophobicContact CB-CG 4.15Å; E157-E185 HydrophobicContact CG-CB 4.3Å; E157-E185 HydrophobicContact CG-CG 4.02Å
158V97.5Very high98.2Very high50 Ų5027.3 Ų27.330%0.30313%0.132SC..THydrogen-bonded Turntrans-65.2-34.6178.9178.70000111.2W130 S156 G160 V302W130-V158 HydrophobicContact CB-CB 3.81Å; W130-V158 HydrophobicContact CB-CG1 4.03Å; W130-V158 HydrophobicContact CD2-CG1 4.17Å; W130-V158 HydrophobicContact CG-CB 3.83Å; W130-V158 HydrophobicContact CG-CG1 3.73Å; S156-V158 PolarHBondContact O-N 2.92Å; S156-V158 PolarHBondContact OG-N 3.45Å; V158-G160 PolarHBondContact O-N 3.11Å; V158-V302 HydrophobicContact CG1-CG1 4.19Å; V158-V302 HydrophobicContact CG1-CG2 3.57Å
159A97.2Very high98.2Very high1 Ų127.5 Ų27.51%0.00813%0.133CC..SBendtrans-96.363.1171.500000110.4D52 W130 P133 S156 E157 H161 S162 A163D52-A159 HydrophobicContact CB-CB 4.21Å; W130-A159 HydrophobicContact CB-CB 3.81Å; P133-A159 HydrophobicContact CB-CB 3.65Å; P133-A159 HydrophobicContact CG-CB 4.12Å; S156-A159 PolarHBondContact O-N 3.3Å; E157-A159 VanDerWaalsContact C-N 3.3Å; E157-A159 PolarHBondContact O-N 2.84Å; A159-H161 VanDerWaalsContact C-N 3.33Å; A159-H161 PolarHBondContact O-N 3.32Å; A159-S162 PolarHBondContact O-N 2.97Å; A159-A163 WeakPolarHBondContact O-CB 3.18Å; A159-A163 PolarHBondContact O-N 2.79Å
160G97.1Very high98.2Very high14 Ų1427.4 Ų27.414%0.14413%0.132CC..Hα-helixtrans-62.7-30.9-167.300000115D52 E157 V158 R164D52-G160 PolarHBondContact OD1-N 2.91Å; E157-G160 PolarHBondContact O-N 2.97Å; V158-G160 PolarHBondContact O-N 3.11Å; G160-R164 WeakPolarHBondContact O-CG 3.5Å; G160-R164 PolarHBondContact O-N 2.95Å; G160-R164 PolarHBondContact O-NE 3.47Å; G160-R164 PolarHBondContact O-NH1 3.23Å; G160-R164 PolarHBondContact O-NH2 3.31Å
161H97.5Very high98.1Very high74 Ų7429.6 Ų29.634%0.34315%0.147SC..Hα-helixtrans-69.8-46.4176.2-69.7-81.1000111.4A48 R51 D52 A159 R164 L165A48-H161 HydrophobicContact CB-CB 4.37Å; R51-H161 HydrophobicContact CB-CB 4.16Å; D52-H161 WeakPolarHBondContact OD1-CB 3.5Å; D52-H161 IonicContact OD1-CD2 2.95Å; D52-H161 PolarHBondContact OD1-CD2 3.11Å; D52-H161 VanDerWaalsContact OD1-CD2 3.31Å; D52-H161 IonicContact OD1-CG 3.5Å; D52-H161 PolarHBondContact OD1-N 2.98Å; A159-H161 VanDerWaalsContact C-N 3.33Å; A159-H161 PolarHBondContact O-N 3.32Å; H161-R164 PolarHBondContact ND1-NH2 3.02Å; H161-L165 WeakPolarHBondContact O-CB 3.44Å; H161-L165 PolarHBondContact O-N 3.27Å; H161-L165 VanDerWaalsContact O-N 3.08Å
162S97.8Very high98.1Very high0 Ų034.1 Ų34.10%018%0.175CC..Hα-helixtrans-63.7-44.7176.7-59.20000111.5D52 P133 A159 R164 L165 M166D52-S162 WeakPolarHBondContact OD2-CB 3.4Å; D52-S162 PolarHBondContact OD2-N 3.43Å; D52-S162 PolarHBondContact OD2-OG 2.89Å; P133-S162 WeakPolarHBondContact CG-OG 3.34Å; A159-S162 PolarHBondContact O-N 2.97Å; S162-R164 PolarHBondContact O-N 3.21Å; S162-L165 PolarHBondContact O-N 3.47Å; S162-M166 WeakPolarHBondContact O-CG 3.35Å; S162-M166 PolarHBondContact O-N 2.86Å
163A98.4Very high98.1Very high5 Ų536.4 Ų36.44%0.04118%0.184CC..Hα-helixtrans-59.2-47178.600000112.6P155 A159 L165 M166 D167 L183P155-A163 HydrophobicContact CB-CB 3.89Å; P155-A163 HydrophobicContact CG-CB 3.83Å; A159-A163 WeakPolarHBondContact O-CB 3.18Å; A159-A163 PolarHBondContact O-N 2.79Å; A163-L165 VanDerWaalsContact C-N 3.35Å; A163-L165 PolarHBondContact O-N 3.3Å; A163-M166 PolarHBondContact O-N 3.34Å; A163-D167 PolarHBondContact O-N 3.42Å; A163-L183 HydrophobicContact CB-CD2 4.07Å
164R98.5Very high98.1Very high137 Ų13736.9 Ų36.952%0.51719%0.186SC..Hα-helixtrans-65.1-37.5176.5-73.2-175.1-64.2-92.8-0.6112.6G160 H161 S162 D167 K168 L183G160-R164 WeakPolarHBondContact O-CG 3.5Å; G160-R164 PolarHBondContact O-N 2.95Å; G160-R164 PolarHBondContact O-NE 3.47Å; G160-R164 PolarHBondContact O-NH1 3.23Å; G160-R164 PolarHBondContact O-NH2 3.31Å; H161-R164 PolarHBondContact ND1-NH2 3.02Å; S162-R164 PolarHBondContact O-N 3.21Å; R164-D167 PolarHBondContact O-N 3.45Å; R164-K168 PolarHBondContact O-N 2.77Å; R164-K168 VanDerWaalsContact O-N 3.13Å; R164-L183 HydrophobicContact CG-CD1 4.44Å
165L98.5Very high98Very high21 Ų2139.9 Ų39.911%0.1120%0.2CC..Hα-helixtrans-65.9-41.6175.6-178.360.7000111Q44 L45 A48 H161 S162 A163 K168 L169Q44-L165 HydrophobicContact CB-CD2 4.12Å; Q44-L165 VanDerWaalsContact O-CD2 3.29Å; Q44-L165 WeakPolarHBondContact O-CD2 3.47Å; L45-L165 HydrophobicContact CD2-CD2 3.91Å; L45-L165 HydrophobicContact CD2-CG 4.46Å; L45-L165 HydrophobicContact CG-CD2 4.45Å; A48-L165 HydrophobicContact CB-CB 4.39Å; A48-L165 HydrophobicContact CB-CD2 3.7Å; H161-L165 WeakPolarHBondContact O-CB 3.44Å; H161-L165 PolarHBondContact O-N 3.27Å; H161-L165 VanDerWaalsContact O-N 3.08Å; S162-L165 PolarHBondContact O-N 3.47Å; A163-L165 VanDerWaalsContact C-N 3.35Å; A163-L165 PolarHBondContact O-N 3.3Å; L165-K168 PolarHBondContact O-N 3.17Å; L165-L169 HydrophobicContact CD1-CD1 3.95Å; L165-L169 HydrophobicContact CD1-CD2 4.31Å; L165-L169 HydrophobicContact CD1-CG 3.85Å; L165-L169 HydrophobicContact CD2-CD1 4.4Å; L165-L169 HydrophobicContact CG-CD1 3.86Å; L165-L169 HydrophobicContact CG-CG 4.15Å; L165-L169 WeakPolarHBondContact O-CB 3.47Å; L165-L169 WeakPolarHBondContact O-CG 3.41Å; L165-L169 PolarHBondContact O-N 2.98Å
166M98.5Very high97.9Very high0 Ų045.5 Ų45.50%022%0.224CC..Hα-helixtrans-59.5-46.1174.4-71.9-61.99400112.5L45 I134 L137 L138 S162 A163 K168 L169 I170L45-M166 HydrophobicContact CD2-CE 3.13Å; I134-M166 HydrophobicContact CD1-CE 3.75Å; I134-M166 HydrophobicContact CD1-CG 3.92Å; I134-M166 HydrophobicContact CD1-SD 3.93Å; I134-M166 HydrophobicContact CG2-CE 4.5Å; I134-M166 HydrophobicContact CG2-SD 4.39Å; L137-M166 HydrophobicContact CD2-CB 4.1Å; L137-M166 HydrophobicContact CD2-CG 3.87Å; L137-M166 HydrophobicContact CD2-SD 4.23Å; L138-M166 HydrophobicContact CD1-SD 4.29Å; L138-M166 HydrophobicContact CD2-SD 4.38Å; L138-M166 HydrophobicContact CG-SD 4.48Å; S162-M166 WeakPolarHBondContact O-CG 3.35Å; S162-M166 PolarHBondContact O-N 2.86Å; A163-M166 PolarHBondContact O-N 3.34Å; M166-K168 VanDerWaalsContact C-N 3.33Å; M166-K168 PolarHBondContact O-N 2.99Å; M166-L169 HydrophobicContact CE-CD1 3.9Å; M166-L169 PolarHBondContact O-N 3.11Å; M166-I170 VanDerWaalsContact O-CB 3.26Å; M166-I170 WeakPolarHBondContact O-CB 3.29Å; M166-I170 WeakPolarHBondContact O-CG1 3.41Å; M166-I170 PolarHBondContact O-N 2.79Å
167D98.3Very high97.8Very high54 Ų5446.8 Ų46.829%0.28923%0.23SC..Hα-helixtrans-56.9-46.7174.7179.549.8000112.3A163 R164 S171 V181 L183A163-D167 PolarHBondContact O-N 3.42Å; R164-D167 PolarHBondContact O-N 3.45Å; D167-S171 WeakPolarHBondContact O-CB 3.44Å; D167-S171 PolarHBondContact O-N 2.77Å; D167-S171 PolarHBondContact O-OG 3.35Å; D167-V181 HydrophobicContact CB-CB 4.13Å; D167-V181 HydrophobicContact CB-CG1 3.87Å; D167-L183 HydrophobicContact CB-CD1 3.89Å; D167-L183 HydrophobicContact CB-CD2 4.29Å; D167-L183 HydrophobicContact CB-CG 4.15Å
168K98.6Very high97.8Very high121 Ų12143.6 Ų43.653%0.52622%0.215SC..Hα-helixtrans-61.4-51177.8-178.3-172.6174.3-167.30112.1R164 L165 M166 T172R164-K168 PolarHBondContact O-N 2.77Å; R164-K168 VanDerWaalsContact O-N 3.13Å; L165-K168 PolarHBondContact O-N 3.17Å; M166-K168 VanDerWaalsContact C-N 3.33Å; M166-K168 PolarHBondContact O-N 2.99Å; K168-T172 WeakPolarHBondContact O-CB 3.29Å; K168-T172 PolarHBondContact O-N 3.22Å; K168-T172 VanDerWaalsContact O-N 3.15Å; K168-T172 PolarHBondContact O-OG1 2.7Å
169L98.7Very high97.9Very high4 Ų441.2 Ų41.22%0.02120%0.201CC..Hα-helixtrans-68.7-46.4-176-66.6-177.6000110.9M37 N41 L45 L165 M166 S171 T172 Y173M37-L169 HydrophobicContact CG-CB 4.09Å; M37-L169 HydrophobicContact SD-CB 3.86Å; N41-L169 HydrophobicContact CB-CD1 3.88Å; N41-L169 HydrophobicContact CB-CD2 4.22Å; N41-L169 WeakPolarHBondContact OD1-CD2 3.49Å; L45-L169 HydrophobicContact CD2-CD1 3.78Å; L45-L169 HydrophobicContact CG-CD1 4.35Å; L165-L169 HydrophobicContact CD1-CD1 3.95Å; L165-L169 HydrophobicContact CD1-CD2 4.31Å; L165-L169 HydrophobicContact CD1-CG 3.85Å; L165-L169 HydrophobicContact CD2-CD1 4.4Å; L165-L169 HydrophobicContact CG-CD1 3.86Å; L165-L169 HydrophobicContact CG-CG 4.15Å; L165-L169 WeakPolarHBondContact O-CB 3.47Å; L165-L169 WeakPolarHBondContact O-CG 3.41Å; L165-L169 PolarHBondContact O-N 2.98Å; M166-L169 HydrophobicContact CE-CD1 3.9Å; M166-L169 PolarHBondContact O-N 3.11Å; L169-S171 VanDerWaalsContact C-N 3.3Å; L169-S171 PolarHBondContact O-N 3.45Å; L169-T172 WeakPolarHBondContact O-CA 3.33Å; L169-T172 WeakPolarHBondContact O-CB 3.36Å; L169-T172 PolarHBondContact O-N 3.21Å; L169-Y173 HydrophobicContact CD2-CE2 4.23Å; L169-Y173 WeakPolarHBondContact O-CD2 3.43Å; L169-Y173 PolarHBondContact O-N 3.35Å
170I98.6Very high97.9Very high1 Ų141.9 Ų41.91%0.00521%0.205CC..Hα-helixtrans-59.6-43.5177.4-65.7-67.3000110.9M37 L138 L141 L153 M166 T172 Y173 F174 V179 V181M37-I170 HydrophobicContact CE-CD1 4.31Å; M37-I170 HydrophobicContact SD-CD1 4.02Å; L138-I170 HydrophobicContact CD2-CD1 4.48Å; L141-I170 HydrophobicContact CD2-CD1 4.46Å; L153-I170 HydrophobicContact CD1-CD1 3.93Å; L153-I170 HydrophobicContact CD1-CG1 3.97Å; M166-I170 VanDerWaalsContact O-CB 3.26Å; M166-I170 WeakPolarHBondContact O-CB 3.29Å; M166-I170 WeakPolarHBondContact O-CG1 3.41Å; M166-I170 PolarHBondContact O-N 2.79Å; I170-T172 PolarHBondContact O-N 2.76Å; I170-Y173 PolarHBondContact O-N 3.2Å; I170-F174 HydrophobicContact CD1-CD2 3.85Å; I170-F174 HydrophobicContact CD1-CE2 3.91Å; I170-F174 HydrophobicContact CG2-CB 4.37Å; I170-F174 HydrophobicContact CG2-CD2 4.38Å; I170-F174 WeakPolarHBondContact O-CB 3.24Å; I170-F174 PolarHBondContact O-N 3.25Å; I170-V179 HydrophobicContact CD1-CG1 4.43Å; I170-V179 HydrophobicContact CG2-CB 4.21Å; I170-V179 HydrophobicContact CG2-CG1 3.76Å; I170-V181 HydrophobicContact CB-CG2 3.7Å; I170-V181 HydrophobicContact CG1-CG2 3.8Å; I170-V181 HydrophobicContact CG2-CG2 3.86Å
171S97.6Very high98Very high45 Ų4541.9 Ų41.932%0.31520%0.202SC..Hα-helixtrans-63.8-21.3175.6-69.20000114.2D167 L169D167-S171 WeakPolarHBondContact O-CB 3.44Å; D167-S171 PolarHBondContact O-N 2.77Å; D167-S171 PolarHBondContact O-OG 3.35Å; L169-S171 VanDerWaalsContact C-N 3.3Å; L169-S171 PolarHBondContact O-N 3.45Å
172T98.4Very high98Very high96 Ų9640 Ų4059%0.58919%0.193SC*.Hα-helixtrans-88.4-42.1179.8-57.50000111.7K168 L169 I170K168-T172 WeakPolarHBondContact O-CB 3.29Å; K168-T172 PolarHBondContact O-N 3.22Å; K168-T172 VanDerWaalsContact O-N 3.15Å; K168-T172 PolarHBondContact O-OG1 2.7Å; L169-T172 WeakPolarHBondContact O-CA 3.33Å; L169-T172 WeakPolarHBondContact O-CB 3.36Å; L169-T172 PolarHBondContact O-N 3.21Å; I170-T172 PolarHBondContact O-N 2.76Å
173Y98.6Very high97.9Very high48 Ų4843.7 Ų43.719%0.18821%0.212CC..Hα-helixtrans-97.2-20.5-172.6-71.4-94.9000114R33 V36 M37 E40 N41 L169 I170R33-Y173 WeakPolarHBondContact CD-O 3.5Å; V36-Y173 HydrophobicContact CG1-CE1 4.06Å; M37-Y173 HydrophobicContact CB-CD1 3.78Å; M37-Y173 HydrophobicContact CB-CD2 3.83Å; M37-Y173 HydrophobicContact CB-CE1 4.14Å; M37-Y173 HydrophobicContact CB-CE2 4.18Å; M37-Y173 HydrophobicContact CB-CG 3.63Å; M37-Y173 HydrophobicContact CG-CD1 4.43Å; M37-Y173 HydrophobicContact CG-CD2 3.54Å; M37-Y173 HydrophobicContact CG-CE2 3.9Å; M37-Y173 HydrophobicContact CG-CG 3.85Å; M37-Y173 HydrophobicContact SD-CD2 4.33Å; E40-Y173 WeakPolarHBondContact OE2-CE1 3.5Å; E40-Y173 VanDerWaalsContact OE2-CZ 3.31Å; E40-Y173 PolarHBondContact OE2-OH 2.86Å; N41-Y173 PolarHBondContact ND2-OH 2.89Å; L169-Y173 HydrophobicContact CD2-CE2 4.23Å; L169-Y173 WeakPolarHBondContact O-CD2 3.43Å; L169-Y173 PolarHBondContact O-N 3.35Å; I170-Y173 PolarHBondContact O-N 3.2Å
174F98.4Very high97.6Very high10 Ų1043.9 Ų43.94%0.04422%0.215CC..SBendtrans-117148.7-178.9-67.1-91.9000112.5Q30 R33 M34 M37 L145 I170 V179Q30-F174 HydrophobicContact CB-CE1 4.24Å; R33-F174 HydrophobicContact CB-CE1 4.42Å; R33-F174 HydrophobicContact CB-CZ 4.39Å; M34-F174 HydrophobicContact CB-CZ 3.92Å; M34-F174 HydrophobicContact CE-CZ 4.3Å; M34-F174 HydrophobicContact CG-CZ 4.39Å; M37-F174 HydrophobicContact SD-CE2 4.2Å; L145-F174 HydrophobicContact CD1-CE1 4Å; L145-F174 HydrophobicContact CD1-CZ 4.39Å; I170-F174 HydrophobicContact CD1-CD2 3.85Å; I170-F174 HydrophobicContact CD1-CE2 3.91Å; I170-F174 HydrophobicContact CG2-CB 4.37Å; I170-F174 HydrophobicContact CG2-CD2 4.38Å; I170-F174 WeakPolarHBondContact O-CB 3.24Å; I170-F174 PolarHBondContact O-N 3.25Å; F174-V179 HydrophobicContact CB-CB 3.93Å; F174-V179 HydrophobicContact CB-CG2 4.36Å; F174-V179 HydrophobicContact CD1-CB 4.07Å; F174-V179 HydrophobicContact CD1-CG2 3.59Å; F174-V179 HydrophobicContact CE1-CG2 4.08Å; F174-V179 HydrophobicContact CG-CB 3.99Å; F174-V179 HydrophobicContact CG-CG2 4.04Å
175E97Very high97.3Very high71 Ų7143 Ų4333%0.33222%0.217SC..  trans-72.1130.8169.2-69.8159.4-129.300108.8K20 R33 D177 T178 V179K20-E175 WeakPolarHBondContact CE-OE2 3.36Å; K20-E175 IonicContact NZ-OE2 3.67Å; K20-E175 PolarHBondContact NZ-OE2 3.43Å; R33-E175 IonicContact CZ-OE1 3.48Å; R33-E175 IonicContact NH1-OE1 2.87Å; R33-E175 PolarHBondContact NH1-OE1 2.85Å; R33-E175 IonicContact NH2-OE1 3.09Å; R33-E175 PolarHBondContact NH2-OE1 2.92Å; R33-E175 VanDerWaalsContact NH2-OE1 3.09Å; E175-D177 WeakPolarHBondContact CB-OD1 3.21Å; E175-D177 PolarHBondContact O-N 2.82Å; E175-T178 PolarHBondContact O-N 3.28Å; E175-V179 PolarHBondContact O-N 2.92Å; E175-V179 VanDerWaalsContact O-N 3.14Å
176K95.8Very high97.1Very high122 Ų12246 Ų4653%0.5324%0.236SC..THydrogen-bonded Turntrans-60.2-7.5-178.7-66.4-171.4175.4-173.50114.8R11R11-K176 PolarHBondContact NE-O 3.46Å; R11-K176 PolarHBondContact NH2-O 3.37Å
177D95.9Very high96.9Very high40 Ų4052.1 Ų52.121%0.21427%0.265CS..THydrogen-bonded Turntrans-95.2-8.5178.280-8.3000112.6R11 L12 T15 K20 E175R11-D177 HydrophobicContact CG-CB 4.08Å; L12-D177 WeakPolarHBondContact CD2-O 3.42Å; T15-D177 WeakPolarHBondContact CB-O 3.29Å; T15-D177 HydrophobicContact CG2-CB 4.32Å; T15-D177 WeakPolarHBondContact CG2-O 3.49Å; T15-D177 VanDerWaalsContact OG1-CB 3.3Å; T15-D177 WeakPolarHBondContact OG1-CB 3.43Å; T15-D177 PolarHBondContact OG1-O 2.89Å; K20-D177 IonicContact NZ-OD1 2.74Å; K20-D177 PolarHBondContact NZ-OD1 3.33Å; K20-D177 IonicContact NZ-OD2 3.92Å; K20-D177 PolarHBondContact NZ-OD2 2.93Å; E175-D177 WeakPolarHBondContact CB-OD1 3.21Å; E175-D177 PolarHBondContact O-N 2.82Å
178T97.4Very high96.8Very high1 Ų153.6 Ų53.61%0.00627%0.27CS..THydrogen-bonded Turntrans-117-48.6-178.5-57.10000111.4Y26 Q30 L145 C150 V151 E175Y26-T178 HydrophobicContact CE1-CG2 3.99Å; Y26-T178 PolarHBondContact OH-OG1 3.32Å; Q30-T178 HydrophobicContact CG-CG2 4.39Å; L145-T178 HydrophobicContact CD2-CG2 4.42Å; C150-T178 CarbonylContact C-O 3.55Å; C150-T178 WeakPolarHBondContact CA-O 3.49Å; V151-T178 PolarHBondContact N-O 3.43Å; E175-T178 PolarHBondContact O-N 3.28Å
179V98.5Very high96.7Very high1 Ų148.7 Ų48.71%0.00625%0.25CC..EExtended strand (participates in β ladder)trans-133.3129.8174.2-169.70000108.2L141 L145 V151 L153 I170 F174 E175L141-V179 HydrophobicContact CD1-CG1 4.13Å; L141-V179 HydrophobicContact CD1-CG2 4.27Å; L141-V179 HydrophobicContact CD2-CG1 4.34Å; L145-V179 HydrophobicContact CD2-CG2 3.82Å; V151-V179 WeakPolarHBondContact O-CA 3.37Å; L153-V179 HydrophobicContact CD1-CG1 3.67Å; L153-V179 HydrophobicContact CG-CG1 4.03Å; I170-V179 HydrophobicContact CD1-CG1 4.43Å; I170-V179 HydrophobicContact CG2-CB 4.21Å; I170-V179 HydrophobicContact CG2-CG1 3.76Å; F174-V179 HydrophobicContact CB-CB 3.93Å; F174-V179 HydrophobicContact CB-CG2 4.36Å; F174-V179 HydrophobicContact CD1-CB 4.07Å; F174-V179 HydrophobicContact CD1-CG2 3.59Å; F174-V179 HydrophobicContact CE1-CG2 4.08Å; F174-V179 HydrophobicContact CG-CB 3.99Å; F174-V179 HydrophobicContact CG-CG2 4.04Å; E175-V179 PolarHBondContact O-N 2.92Å; E175-V179 VanDerWaalsContact O-N 3.14Å
180T98Very high96.5Very high15 Ų1552.5 Ų52.59%0.09227%0.269CS..EExtended strand (participates in β ladder)trans-138.9148.4175.6-165.50000109.9L12 V151 M152 L153L12-T180 HydrophobicContact CD1-CG2 4.07Å; L12-T180 HydrophobicContact CD2-CG2 4.36Å; L12-T180 HydrophobicContact CG-CG2 4.47Å; V151-T180 PolarHBondContact O-N 3.26Å; M152-T180 HydrophobicContact CE-CG2 3.85Å; M152-T180 HydrophobicContact SD-CG2 3.43Å; M152-T180 WeakPolarHBondContact SD-CG2 3.31Å; L153-T180 PolarHBondContact N-O 3.44Å
181V98.1Very high96.4Very high13 Ų1354.1 Ų54.18%0.07928%0.283CS..EExtended strand (participates in β ladder)trans-98.6142174.8177.50000109.2L153 P155 D167 I170 L183L153-V181 HydrophobicContact CB-CG2 4.03Å; L153-V181 HydrophobicContact CD1-CG2 4.14Å; L153-V181 CarbonylContact O-C 3.59Å; L153-V181 WeakPolarHBondContact O-CA 3.43Å; P155-V181 HydrophobicContact CG-CG1 3.94Å; D167-V181 HydrophobicContact CB-CB 4.13Å; D167-V181 HydrophobicContact CB-CG1 3.87Å; I170-V181 HydrophobicContact CB-CG2 3.7Å; I170-V181 HydrophobicContact CG1-CG2 3.8Å; I170-V181 HydrophobicContact CG2-CG2 3.86Å; V181-L183 HydrophobicContact CG1-CD2 3.8Å; V181-L183 HydrophobicContact CG1-CG 4.21Å
182F97.4Very high96.4Very high35 Ų3552 Ų5215%0.15427%0.268CS..  trans-118.6109.3170.1-176.3-97.1000108.4C5 M152 L153 K154 E188 L192C5-F182 HydrophobicContact CB-CD2 4.33Å; C5-F182 HydrophobicContact CB-CE2 3.76Å; C5-F182 HydrophobicContact CB-CZ 4.22Å; M152-F182 HydrophobicContact CG-CB 4.4Å; M152-F182 HydrophobicContact SD-CB 3.68Å; L153-F182 PolarHBondContact O-N 3.41Å; K154-F182 HydrophobicContact CG-CD1 4.25Å; F182-E188 HydrophobicContact CE1-CB 3.7Å; F182-E188 HydrophobicContact CZ-CB 3.77Å; F182-E188 HydrophobicContact CZ-CG 4.5Å; F182-L192 HydrophobicContact CB-CD2 4.36Å; F182-L192 HydrophobicContact CD1-CB 4.46Å; F182-L192 HydrophobicContact CD1-CD2 3.69Å; F182-L192 HydrophobicContact CD1-CG 4.48Å; F182-L192 HydrophobicContact CE1-CB 4.12Å; F182-L192 HydrophobicContact CE1-CD2 4.18Å; F182-L192 HydrophobicContact CG-CD1 4.49Å; F182-L192 HydrophobicContact CG-CD2 4.14Å
183L96.2Very high96.4Very high77 Ų7748.1 Ų48.140%0.40324%0.244SC..  trans-87.8121.5170.9-59-177.3000108P155 A163 R164 D167 V181P155-L183 HydrophobicContact CG-CD2 3.75Å; A163-L183 HydrophobicContact CB-CD2 4.07Å; R164-L183 HydrophobicContact CG-CD1 4.44Å; D167-L183 HydrophobicContact CB-CD1 3.89Å; D167-L183 HydrophobicContact CB-CD2 4.29Å; D167-L183 HydrophobicContact CB-CG 4.15Å; V181-L183 HydrophobicContact CG1-CD2 3.8Å; V181-L183 HydrophobicContact CG1-CG 4.21Å
184G91.8Very high96.3Very high10 Ų1054.4 Ų54.410%0.10327%0.267CS..  trans-164.4151.7-179.700000110.7K154K154-G184 WeakPolarHBondContact CE-O 3.13Å; K154-G184 PolarHBondContact NZ-O 3.46Å
185E93.9Very high96.3Very high118 Ų11856.5 Ų56.555%0.55128%0.277SS*.  trans-91.3-145.5176.3-55.8-163.6152.800108.8E157 E188 T189E157-E185 HydrophobicContact CB-CG 4.15Å; E157-E185 HydrophobicContact CG-CB 4.3Å; E157-E185 HydrophobicContact CG-CG 4.02Å; E185-E188 PolarHBondContact N-OE2 2.86Å; E185-T189 VanDerWaalsContact O-CB 3.24Å; E185-T189 WeakPolarHBondContact O-CB 3.42Å; E185-T189 PolarHBondContact O-N 2.96Å; E185-T189 VanDerWaalsContact O-N 3.08Å; E185-T189 PolarHBondContact O-OG1 3.21Å
186V93.2Very high96.3Very high85 Ų8559.6 Ų59.652%0.51529%0.286SS..Hα-helixtrans-67.9-51.1-173.5177.50000110.9E188 T189 I190V186-E188 PolarHBondContact O-N 3.17Å; V186-T189 PolarHBondContact O-N 3.49Å; V186-I190 HydrophobicContact CG1-CD1 3.88Å; V186-I190 VanDerWaalsContact O-CG1 3.31Å; V186-I190 WeakPolarHBondContact O-CG1 3.49Å; V186-I190 PolarHBondContact O-N 3.03Å
187E95.2Very high96.4Very high128 Ų12853.9 Ų53.960%0.59826%0.261SS*.Hα-helixtrans-63.3-44.7-176.4-70.671.7-161.500111.8T189 I190 A191E187-T189 VanDerWaalsContact C-N 3.34Å; E187-I190 PolarHBondContact O-N 2.93Å; E187-A191 PolarHBondContact O-N 3.33Å
188E95.5Very high96.6Very high84 Ų8454 Ų5439%0.39326%0.262SS..Hα-helixtrans-67.4-35.7177.5-65.879.6-164.800111.8F182 E185 V186 A191 L192F182-E188 HydrophobicContact CE1-CB 3.7Å; F182-E188 HydrophobicContact CZ-CB 3.77Å; F182-E188 HydrophobicContact CZ-CG 4.5Å; E185-E188 PolarHBondContact N-OE2 2.86Å; V186-E188 PolarHBondContact O-N 3.17Å; E188-A191 PolarHBondContact O-N 3.31Å; E188-L192 WeakPolarHBondContact O-CB 3.46Å; E188-L192 PolarHBondContact O-N 3.03Å
189T95.6Very high96.6Very high18 Ų1854.5 Ų54.511%0.1126%0.264CS..Hα-helixtrans-67.5-39175.8-56.30000111.2I127 K154 E185 V186 E187 A191 L192 L193I127-T189 HydrophobicContact CD1-CG2 4.29Å; K154-T189 HydrophobicContact CD-CG2 4.26Å; K154-T189 VanDerWaalsContact CE-OG1 3.25Å; K154-T189 WeakPolarHBondContact CE-OG1 2.85Å; K154-T189 PolarHBondContact NZ-OG1 2.69Å; E185-T189 VanDerWaalsContact O-CB 3.24Å; E185-T189 WeakPolarHBondContact O-CB 3.42Å; E185-T189 PolarHBondContact O-N 2.96Å; E185-T189 VanDerWaalsContact O-N 3.08Å; E185-T189 PolarHBondContact O-OG1 3.21Å; V186-T189 PolarHBondContact O-N 3.49Å; E187-T189 VanDerWaalsContact C-N 3.34Å; T189-A191 VanDerWaalsContact C-N 3.33Å; T189-L192 PolarHBondContact O-N 3.3Å; T189-L193 HydrophobicContact CG2-CD1 4.19Å; T189-L193 WeakPolarHBondContact O-CB 3.4Å; T189-L193 WeakPolarHBondContact O-CG 3.15Å; T189-L193 PolarHBondContact O-N 2.95Å
190I96.1Very high96.7Very high84 Ų8454.5 Ų54.543%0.43126%0.264SS..Hα-helixtrans-62.3-42.6173.6-69.2165.2000110.5V186 E187 L193 R194V186-I190 HydrophobicContact CG1-CD1 3.88Å; V186-I190 VanDerWaalsContact O-CG1 3.31Å; V186-I190 WeakPolarHBondContact O-CG1 3.49Å; V186-I190 PolarHBondContact O-N 3.03Å; E187-I190 PolarHBondContact O-N 2.93Å; I190-L193 PolarHBondContact O-N 2.93Å; I190-R194 PolarHBondContact O-N 2.79Å
191A96.2Very high96.7Very high35 Ų3553.8 Ų53.829%0.28926%0.26SS..Hα-helixtrans-63.3-43.8175.400000111.7E187 E188 T189 L193 R194E187-A191 PolarHBondContact O-N 3.33Å; E188-A191 PolarHBondContact O-N 3.31Å; T189-A191 VanDerWaalsContact C-N 3.33Å; A191-L193 VanDerWaalsContact C-N 3.34Å; A191-L193 PolarHBondContact O-N 3.14Å; A191-R194 WeakPolarHBondContact O-CB 3.34Å; A191-R194 PolarHBondContact O-N 3.29Å
192L97.5Very high96.7Very high0 Ų053.8 Ų53.80%026%0.258CS..Hα-helixtrans-59.1-43.3176.1-177.366.1000112C5 L125 M152 K154 F182 E188 T189 R194 E195 F197C5-L192 HydrophobicContact CB-CD1 3.86Å; L125-L192 HydrophobicContact CD1-CD2 3.65Å; L125-L192 HydrophobicContact CD1-CG 4.36Å; L125-L192 HydrophobicContact CD2-CD2 4.19Å; L125-L192 HydrophobicContact CD2-CG 4.3Å; M152-L192 HydrophobicContact CE-CD1 4.25Å; M152-L192 HydrophobicContact CG-CD1 4.31Å; M152-L192 HydrophobicContact CG-CD2 4.4Å; K154-L192 HydrophobicContact CB-CD2 4.29Å; K154-L192 HydrophobicContact CG-CD2 4.29Å; F182-L192 HydrophobicContact CB-CD2 4.36Å; F182-L192 HydrophobicContact CD1-CB 4.46Å; F182-L192 HydrophobicContact CD1-CD2 3.69Å; F182-L192 HydrophobicContact CD1-CG 4.48Å; F182-L192 HydrophobicContact CE1-CB 4.12Å; F182-L192 HydrophobicContact CE1-CD2 4.18Å; F182-L192 HydrophobicContact CG-CD1 4.49Å; F182-L192 HydrophobicContact CG-CD2 4.14Å; E188-L192 WeakPolarHBondContact O-CB 3.46Å; E188-L192 PolarHBondContact O-N 3.03Å; T189-L192 PolarHBondContact O-N 3.3Å; L192-R194 PolarHBondContact O-N 3.42Å; L192-R194 VanDerWaalsContact O-N 3.17Å; L192-E195 VanDerWaalsContact O-CB 3.29Å; L192-E195 WeakPolarHBondContact O-CB 3.26Å; L192-E195 PolarHBondContact O-N 2.88Å; L192-F197 HydrophobicContact CD1-CE2 4.27Å; L192-F197 HydrophobicContact CD1-CZ 3.87Å; L192-F197 HydrophobicContact CG-CE2 4.3Å; L192-F197 HydrophobicContact CG-CZ 4.26Å; L192-F197 WeakPolarHBondContact O-CE2 3.5Å
193L97.9Very high96.8Very high15 Ų1552.4 Ų52.48%0.07925%0.253CS..THydrogen-bonded Turntrans-66.7-12.4-179.5-76.8168.7000114.2L125 I127 T189 I190 A191 E195 I200 V212 A215L125-L193 HydrophobicContact CD2-CD2 3.96Å; I127-L193 HydrophobicContact CD1-CD2 3.99Å; I127-L193 HydrophobicContact CD1-CG 4.46Å; T189-L193 HydrophobicContact CG2-CD1 4.19Å; T189-L193 WeakPolarHBondContact O-CB 3.4Å; T189-L193 WeakPolarHBondContact O-CG 3.15Å; T189-L193 PolarHBondContact O-N 2.95Å; I190-L193 PolarHBondContact O-N 2.93Å; A191-L193 VanDerWaalsContact C-N 3.34Å; A191-L193 PolarHBondContact O-N 3.14Å; L193-E195 VanDerWaalsContact C-N 3.34Å; L193-I200 HydrophobicContact CD2-CD1 4.07Å; L193-I200 HydrophobicContact CD2-CG2 4.49Å; L193-V212 HydrophobicContact CD1-CG2 4.14Å; L193-V212 HydrophobicContact CD2-CG1 4.15Å; L193-A215 HydrophobicContact CB-CB 3.9Å; L193-A215 HydrophobicContact CD1-CB 4.42Å
194R97Very high96.9Very high180 Ų18049.6 Ų49.668%0.67924%0.243SC*.THydrogen-bonded Turntrans-78.9-21.3171.9-66.6172.6179.9164.61.1112.6I190 A191 L192 H219I190-R194 PolarHBondContact O-N 2.79Å; A191-R194 WeakPolarHBondContact O-CB 3.34Å; A191-R194 PolarHBondContact O-N 3.29Å; L192-R194 PolarHBondContact O-N 3.42Å; L192-R194 VanDerWaalsContact O-N 3.17Å; R194-H219 PolarHBondContact O-NE2 2.84Å
195E97.8Very high97.1Very high54 Ų5451.4 Ų51.425%0.25225%0.253SS..SBendtrans-69151.6175.9-60.4-58.3143.200110.9V9 L192 L193 F197V9-E195 HydrophobicContact CG1-CB 4.45Å; V9-E195 HydrophobicContact CG2-CB 4.01Å; V9-E195 HydrophobicContact CG2-CG 4.2Å; L192-E195 VanDerWaalsContact O-CB 3.29Å; L192-E195 WeakPolarHBondContact O-CB 3.26Å; L192-E195 PolarHBondContact O-N 2.88Å; L193-E195 VanDerWaalsContact C-N 3.34Å; E195-F197 HydrophobicContact CB-CE2 3.95Å; E195-F197 HydrophobicContact CB-CZ 4.43Å; E195-F197 WeakPolarHBondContact O-CD2 3.31Å; E195-F197 PolarHBondContact O-N 3.5Å
196R97.4Very high97.2Very high136 Ų13647.3 Ų47.351%0.51324%0.238SC..  trans-81.8113.1-179.4-173.8172.9174.5176.43.6110.6R13 H219R13-R196 PolarHBondContact NH2-O 3.33Å; R196-H219 HydrophobicContact CG-CB 4.11Å
197F98.7Very high97.3Very high2 Ų246.6 Ų46.61%0.00924%0.237CC..  trans-106.3154.3168.3-66.9-80000110.8V9 V123 L125 M152 L192 E195 I200 T221V9-F197 HydrophobicContact CG2-CE1 3.85Å; V9-F197 HydrophobicContact CG2-CE2 4.45Å; V9-F197 HydrophobicContact CG2-CZ 3.59Å; V123-F197 HydrophobicContact CB-CD1 4.49Å; V123-F197 HydrophobicContact CG1-CD1 3.88Å; V123-F197 HydrophobicContact CG1-CE1 4.01Å; L125-F197 HydrophobicContact CB-CB 4.43Å; L125-F197 HydrophobicContact CB-CD1 3.61Å; L125-F197 HydrophobicContact CB-CD2 3.92Å; L125-F197 HydrophobicContact CB-CE1 3.74Å; L125-F197 HydrophobicContact CB-CE2 4.03Å; L125-F197 HydrophobicContact CB-CG 3.71Å; L125-F197 HydrophobicContact CB-CZ 3.95Å; L125-F197 HydrophobicContact CD1-CE1 4.48Å; L125-F197 HydrophobicContact CD1-CZ 4.19Å; L125-F197 HydrophobicContact CD2-CD2 3.97Å; L125-F197 HydrophobicContact CD2-CE2 3.69Å; L125-F197 HydrophobicContact CD2-CZ 4.11Å; L125-F197 HydrophobicContact CG-CE2 4.32Å; L125-F197 HydrophobicContact CG-CZ 4.3Å; M152-F197 HydrophobicContact CB-CE1 3.86Å; M152-F197 HydrophobicContact CB-CZ 4.32Å; M152-F197 HydrophobicContact CG-CE1 4.41Å; M152-F197 HydrophobicContact CG-CZ 4.38Å; L192-F197 HydrophobicContact CD1-CE2 4.27Å; L192-F197 HydrophobicContact CD1-CZ 3.87Å; L192-F197 HydrophobicContact CG-CE2 4.3Å; L192-F197 HydrophobicContact CG-CZ 4.26Å; L192-F197 WeakPolarHBondContact O-CE2 3.5Å; E195-F197 HydrophobicContact CB-CE2 3.95Å; E195-F197 HydrophobicContact CB-CZ 4.43Å; E195-F197 WeakPolarHBondContact O-CD2 3.31Å; E195-F197 PolarHBondContact O-N 3.5Å; F197-I200 HydrophobicContact CB-CG1 4Å; F197-I200 HydrophobicContact CD2-CG1 4.42Å; F197-I200 HydrophobicContact CG-CG1 4.45Å; F197-T221 HydrophobicContact CB-CG2 4.23Å; F197-T221 WeakPolarHBondContact O-CG2 3.3Å; F197-T221 PolarHBondContact O-OG1 3.05Å
198D98.7Very high97.4Very high44 Ų4443.5 Ų43.524%0.23523%0.226CC..SBendtrans-88.5-15.7175.4-58-64.3000111.7L121 G122 V123 P222L121-D198 HydrophobicContact CB-CB 4.13Å; L121-D198 WeakPolarHBondContact O-CB 3.35Å; G122-D198 WeakPolarHBondContact CA-OD2 3.37Å; V123-D198 PolarHBondContact N-OD2 3.44Å; V123-D198 PolarHBondContact O-N 2.93Å; D198-P222 WeakPolarHBondContact O-CD 3.47Å; D198-P222 VanDerWaalsContact O-CG 3.25Å; D198-P222 WeakPolarHBondContact O-CG 3.34Å
199H98.9Very high97.5Very high10 Ų1039.5 Ų39.55%0.04621%0.208CC..EExtended strand (participates in β ladder)trans-158.7146.5166.5-158.995.8000110.5L121 V124 L125 P222 T224 F437L121-H199 HydrophobicContact CD1-CB 3.69Å; V124-H199 WeakPolarHBondContact CA-O 3.06Å; V124-H199 HydrophobicContact CG1-CB 4.47Å; V124-H199 HydrophobicContact CG2-CB 4.12Å; L125-H199 PolarHBondContact N-O 2.89Å; H199-P222 WeakPolarHBondContact CA-O 3.33Å; H199-P222 HydrophobicContact CB-CG 4.49Å; H199-T224 PolarHBondContact NE2-N 3.06Å; H199-T224 PolarHBondContact NE2-OG1 3.12Å; H199-F437 AromaticContact CD2-CE1 3.94Å
200I98.9Very high97.6Very high2 Ų241.9 Ų41.91%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-120.1119.1170.7-59.2163.3000109.2L125 L193 F197 V212 A216 T221 P222 V223 T224L125-I200 HydrophobicContact CB-CG1 4.16Å; L125-I200 HydrophobicContact CB-CG2 4.44Å; L125-I200 HydrophobicContact CD2-CG1 4.33Å; L125-I200 HydrophobicContact CD2-CG2 4.2Å; L125-I200 HydrophobicContact CG-CG2 4.4Å; L125-I200 CarbonylContact O-C 3.49Å; L125-I200 WeakPolarHBondContact O-CA 3.27Å; L193-I200 HydrophobicContact CD2-CD1 4.07Å; L193-I200 HydrophobicContact CD2-CG2 4.49Å; F197-I200 HydrophobicContact CB-CG1 4Å; F197-I200 HydrophobicContact CD2-CG1 4.42Å; F197-I200 HydrophobicContact CG-CG1 4.45Å; I200-V212 HydrophobicContact CG2-CG1 3.71Å; I200-A216 HydrophobicContact CD1-CB 3.85Å; I200-T221 HydrophobicContact CD1-CG2 3.96Å; I200-T221 HydrophobicContact CG1-CG2 3.84Å; I200-P222 PolarHBondContact N-O 3.26Å; I200-V223 HydrophobicContact CB-CG1 4.31Å; I200-V223 CarbonylContact O-C 3.51Å; I200-V223 VanDerWaalsContact O-CA 3.24Å; I200-V223 WeakPolarHBondContact O-CA 3.4Å; I200-T224 PolarHBondContact O-N 2.78Å
201F98.9Very high97.7Very high0 Ų043.4 Ų43.40%023%0.232CC..EExtended strand (participates in β ladder)trans-100.2121.3170-168.1-75.1000108.5L125 I126 I127 P140 T224 E226 Y428 F437L125-F201 PolarHBondContact O-N 3.48Å; I126-F201 CarbonylContact C-O 3.38Å; I126-F201 WeakPolarHBondContact CA-O 3.41Å; I126-F201 HydrophobicContact CG1-CB 4.26Å; I126-F201 HydrophobicContact CG2-CD1 4.41Å; I127-F201 PolarHBondContact N-O 2.63Å; P140-F201 HydrophobicContact CB-CD1 3.93Å; P140-F201 HydrophobicContact CB-CD2 4.08Å; P140-F201 HydrophobicContact CB-CE1 3.93Å; P140-F201 HydrophobicContact CB-CE2 4.07Å; P140-F201 HydrophobicContact CB-CG 4.02Å; P140-F201 HydrophobicContact CB-CZ 4Å; P140-F201 HydrophobicContact CG-CD1 4.06Å; P140-F201 HydrophobicContact CG-CE1 3.96Å; P140-F201 HydrophobicContact CG-CZ 4.41Å; F201-T224 WeakPolarHBondContact CA-O 3.5Å; F201-T224 HydrophobicContact CD2-CG2 3.62Å; F201-T224 HydrophobicContact CE2-CG2 3.41Å; F201-T224 VanDerWaalsContact CE2-CG2 3.41Å; F201-T224 HydrophobicContact CZ-CG2 4.22Å; F201-E226 HydrophobicContact CZ-CB 4.47Å; F201-Y428 HydrophobicContact CE2-CD1 4.07Å; F201-Y428 HydrophobicContact CE2-CD2 4.33Å; F201-Y428 AromaticContact CE2-CG 3.92Å; F201-Y428 HydrophobicContact CE2-CG 3.92Å; F201-Y428 AromaticContact CZ-CD1 3.77Å; F201-Y428 HydrophobicContact CZ-CD1 3.77Å; F201-Y428 HydrophobicContact CZ-CD2 4.03Å; F201-Y428 AromaticContact CZ-CE1 3.89Å; F201-Y428 HydrophobicContact CZ-CE1 3.89Å; F201-Y428 HydrophobicContact CZ-CE2 4.16Å; F201-Y428 AromaticContact CZ-CG 3.86Å; F201-Y428 HydrophobicContact CZ-CG 3.86Å; F201-F437 HydrophobicContact CB-CE1 4.2Å; F201-F437 HydrophobicContact CB-CZ 4.04Å; F201-F437 HydrophobicContact CD2-CE1 4.3Å; F201-F437 HydrophobicContact CD2-CE2 4.4Å; F201-F437 AromaticContact CD2-CZ 3.6Å; F201-F437 HydrophobicContact CD2-CZ 3.6Å; F201-F437 HydrophobicContact CE2-CZ 4.41Å; F201-F437 HydrophobicContact CG-CZ 4.08Å
202F98.8Very high97.8Very high12 Ų1241.9 Ų41.95%0.05322%0.219CC..EExtended strand (participates in β ladder)trans-125.8127.7179.2169.8-95.7000110.5I127 V208 G209 V212 T224 L225 E226 L227I127-F202 HydrophobicContact CB-CD2 3.86Å; I127-F202 HydrophobicContact CD1-CD2 4.37Å; I127-F202 HydrophobicContact CG2-CD2 3.74Å; I127-F202 HydrophobicContact CG2-CE2 4.07Å; I127-F202 WeakPolarHBondContact O-CA 3.27Å; F202-V208 HydrophobicContact CE1-CB 4.38Å; F202-V208 HydrophobicContact CE1-CG1 4.35Å; F202-V208 HydrophobicContact CE2-CB 4.41Å; F202-V208 HydrophobicContact CE2-CG1 3.64Å; F202-V208 HydrophobicContact CZ-CB 3.7Å; F202-V208 HydrophobicContact CZ-CG1 3.43Å; F202-V208 VanDerWaalsContact CZ-CG1 3.43Å; F202-G209 VanDerWaalsContact CE1-CA 3.5Å; F202-V212 HydrophobicContact CB-CG1 4.12Å; F202-V212 HydrophobicContact CB-CG2 4.44Å; F202-V212 HydrophobicContact CD2-CG2 3.81Å; F202-V212 HydrophobicContact CE2-CG2 4.21Å; F202-V212 HydrophobicContact CG-CB 4.49Å; F202-V212 HydrophobicContact CG-CG2 4Å; F202-T224 PolarHBondContact N-O 2.71Å; F202-L225 HydrophobicContact CB-CD2 3.94Å; F202-L225 HydrophobicContact CD1-CD2 4.23Å; F202-L225 WeakPolarHBondContact O-CA 3.4Å; F202-E226 PolarHBondContact O-N 3.03Å; F202-L227 HydrophobicContact CD1-CD2 3.64Å; F202-L227 HydrophobicContact CE1-CD2 3.56Å
203T98.7Very high97.8Very high7 Ų746.1 Ų46.14%0.04324%0.24CC..EExtended strand (participates in β ladder)trans-108.9128165-70.90000110.3I127 A129 L136 E226I127-T203 PolarHBondContact O-N 3.26Å; A129-T203 HydrophobicContact CB-CG2 3.84Å; A129-T203 PolarHBondContact N-O 2.87Å; L136-T203 HydrophobicContact CB-CG2 4.5Å; L136-T203 HydrophobicContact CD1-CG2 3.79Å; L136-T203 HydrophobicContact CD2-CG2 4.04Å; L136-T203 HydrophobicContact CG-CG2 4.31Å; T203-E226 VanDerWaalsContact CA-O 3.24Å; T203-E226 WeakPolarHBondContact CA-O 3.42Å; T203-E226 WeakPolarHBondContact CB-OE2 3.24Å; T203-E226 WeakPolarHBondContact CG2-OE2 3.42Å; T203-E226 PolarHBondContact OG1-OE2 2.91Å
204G97.8Very high97.9Very high18 Ų1853.8 Ų53.819%0.18627%0.268CS..EExtended strand (participates in β ladder)trans164.5-151.1175.600000114.4E226 L227 G228G204-E226 PolarHBondContact N-O 2.88Å; G204-L227 VanDerWaalsContact O-CA 3.23Å; G204-L227 WeakPolarHBondContact O-CA 3.43Å; G204-G228 PolarHBondContact O-N 3.01Å; G204-G228 VanDerWaalsContact O-N 3.12Å
205S96.3Very high97.9Very high47 Ų4746.7 Ų46.733%0.32925%0.247SC..  trans-76.6154.2-179.370.90000112.2S207 V208 G209S205-S207 VanDerWaalsContact C-N 3.25Å; S205-S207 PolarHBondContact O-N 3.43Å; S205-S207 PolarHBondContact OG-OG 3.14Å; S205-V208 PolarHBondContact O-N 3.03Å; S205-V208 WeakPolarHBondContact OG-CG2 3.16Å; S205-V208 PolarHBondContact OG-N 3.27Å; S205-G209 PolarHBondContact O-N 2.78Å
206S95.9Very high97.9Very high32 Ų3244.2 Ų44.222%0.22424%0.236CC..Hα-helixtrans-61.6-32.1175.7560000113.7S210S206-S210 PolarHBondContact O-N 3.13Å; S206-S210 PolarHBondContact O-OG 2.86Å
207S95.3Very high98Very high71 Ų7141.2 Ų41.250%0.49724%0.236SC..Hα-helixtrans-63.6-47.6175.3570000112.3S205 M211S205-S207 VanDerWaalsContact C-N 3.25Å; S205-S207 PolarHBondContact O-N 3.43Å; S205-S207 PolarHBondContact OG-OG 3.14Å; S207-M211 PolarHBondContact O-N 2.9Å
208V96.8Very high97.9Very high62 Ų6248.4 Ų48.438%0.37627%0.27SS..Hα-helixtrans-72.8-38.5177.6178.90000110.6F202 S205 S210 M211 V212F202-V208 HydrophobicContact CE1-CB 4.38Å; F202-V208 HydrophobicContact CE1-CG1 4.35Å; F202-V208 HydrophobicContact CE2-CB 4.41Å; F202-V208 HydrophobicContact CE2-CG1 3.64Å; F202-V208 HydrophobicContact CZ-CB 3.7Å; F202-V208 HydrophobicContact CZ-CG1 3.43Å; F202-V208 VanDerWaalsContact CZ-CG1 3.43Å; S205-V208 PolarHBondContact O-N 3.03Å; S205-V208 WeakPolarHBondContact OG-CG2 3.16Å; S205-V208 PolarHBondContact OG-N 3.27Å; V208-S210 PolarHBondContact O-N 3.33Å; V208-M211 WeakPolarHBondContact O-CA 3.03Å; V208-M211 WeakPolarHBondContact O-CB 3.46Å; V208-M211 PolarHBondContact O-N 3.22Å; V208-V212 HydrophobicContact CG1-CG2 4.4Å; V208-V212 WeakPolarHBondContact O-CG2 3.32Å; V208-V212 PolarHBondContact O-N 2.83Å
209G98.1Very high97.9Very high0 Ų049.5 Ų49.50%027%0.273CS..Hα-helixtrans-57-37.717500000112.7F202 S205 M211 V212 M213F202-G209 VanDerWaalsContact CE1-CA 3.5Å; S205-G209 PolarHBondContact O-N 2.78Å; G209-M211 VanDerWaalsContact C-N 3.34Å; G209-M211 PolarHBondContact O-N 3.11Å; G209-V212 PolarHBondContact O-N 3.28Å; G209-M213 WeakPolarHBondContact O-CB 2.99Å; G209-M213 PolarHBondContact O-N 3.38Å
210S97.7Very high97.9Very high68 Ų6856.3 Ų56.348%0.47631%0.309SS..Hα-helixtrans-64.7-35.8173.5-60.10000112.6S206 V208 R214S206-S210 PolarHBondContact O-N 3.13Å; S206-S210 PolarHBondContact O-OG 2.86Å; V208-S210 PolarHBondContact O-N 3.33Å; S210-R214 WeakPolarHBondContact O-CB 3.46Å; S210-R214 PolarHBondContact O-N 3.44Å; S210-R214 VanDerWaalsContact O-N 3.07Å
211M98Very high97.9Very high116 Ų11656.9 Ų56.957%0.57131%0.313SS*.Hα-helixtrans-69.9-41.9174.9-58.9-178.6-172.900111.5S207 V208 G209 R214 A215S207-M211 PolarHBondContact O-N 2.9Å; V208-M211 WeakPolarHBondContact O-CA 3.03Å; V208-M211 WeakPolarHBondContact O-CB 3.46Å; V208-M211 PolarHBondContact O-N 3.22Å; G209-M211 VanDerWaalsContact C-N 3.34Å; G209-M211 PolarHBondContact O-N 3.11Å; M211-R214 PolarHBondContact O-N 2.77Å; M211-A215 PolarHBondContact O-N 2.58Å
212V98.5Very high97.9Very high3 Ų360 Ų602%0.01833%0.333CS..Hα-helixtrans-60.2-48.2175173.10000110.6I127 L193 I200 F202 V208 G209 R214 A215 A216 L225I127-V212 HydrophobicContact CD1-CG2 4.49Å; L193-V212 HydrophobicContact CD1-CG2 4.14Å; L193-V212 HydrophobicContact CD2-CG1 4.15Å; I200-V212 HydrophobicContact CG2-CG1 3.71Å; F202-V212 HydrophobicContact CB-CG1 4.12Å; F202-V212 HydrophobicContact CB-CG2 4.44Å; F202-V212 HydrophobicContact CD2-CG2 3.81Å; F202-V212 HydrophobicContact CE2-CG2 4.21Å; F202-V212 HydrophobicContact CG-CB 4.49Å; F202-V212 HydrophobicContact CG-CG2 4Å; V208-V212 HydrophobicContact CG1-CG2 4.4Å; V208-V212 WeakPolarHBondContact O-CG2 3.32Å; V208-V212 PolarHBondContact O-N 2.83Å; G209-V212 PolarHBondContact O-N 3.28Å; V212-R214 VanDerWaalsContact C-N 3.31Å; V212-R214 PolarHBondContact O-N 2.74Å; V212-A215 PolarHBondContact O-N 2.91Å; V212-A216 WeakPolarHBondContact O-CB 3.48Å; V212-A216 PolarHBondContact O-N 3Å; V212-L225 HydrophobicContact CG1-CD2 4.46Å
213M98.3Very high97.8Very high89 Ų8960.5 Ų60.544%0.43834%0.337SS..Hα-helixtrans-61.8-39.2178.2-171.5179.1-176.100112.1G209 A216 S217 V223 L225 M425G209-M213 WeakPolarHBondContact O-CB 2.99Å; G209-M213 PolarHBondContact O-N 3.38Å; M213-A216 PolarHBondContact O-N 3.37Å; M213-S217 PolarHBondContact O-N 3.1Å; M213-S217 VanDerWaalsContact O-N 3.16Å; M213-V223 HydrophobicContact CG-CG2 4.23Å; M213-L225 HydrophobicContact CB-CD1 4.3Å; M213-M425 HydrophobicContact CE-CE 4.03Å; M213-M425 HydrophobicContact CE-SD 4.33Å; M213-M425 HydrophobicContact SD-CE 3.83Å; M213-M425 HydrophobicContact SD-SD 4.49Å
214R98.4Very high97.8Very high176 Ų17660.4 Ų60.466%0.66434%0.336SS*.Hα-helixtrans-61.6-46.7174.3-175.4178.9-64.8120.52111.1S210 M211 V212 S217S210-R214 WeakPolarHBondContact O-CB 3.46Å; S210-R214 PolarHBondContact O-N 3.44Å; S210-R214 VanDerWaalsContact O-N 3.07Å; M211-R214 PolarHBondContact O-N 2.77Å; V212-R214 VanDerWaalsContact C-N 3.31Å; V212-R214 PolarHBondContact O-N 2.74Å; R214-S217 WeakPolarHBondContact O-CB 3.18Å; R214-S217 PolarHBondContact O-N 2.9Å; R214-S217 PolarHBondContact O-OG 3.48Å
215A98.3Very high97.9Very high31 Ų3159.8 Ų59.826%0.25633%0.329SS..Hα-helixtrans-62.7-4217700000112.3L193 M211 V212 S217 E218L193-A215 HydrophobicContact CB-CB 3.9Å; L193-A215 HydrophobicContact CD1-CB 4.42Å; M211-A215 PolarHBondContact O-N 2.58Å; V212-A215 PolarHBondContact O-N 2.91Å; A215-S217 PolarHBondContact O-N 2.99Å; A215-E218 WeakPolarHBondContact O-CB 3.32Å; A215-E218 PolarHBondContact O-N 3.38Å
216A98.5Very high98Very high2 Ų257.6 Ų57.62%0.01731%0.314CS..Hα-helixtrans-60-29.8178.400000113.1I200 V212 M213 E218 H219 L220 T221 V223I200-A216 HydrophobicContact CD1-CB 3.85Å; V212-A216 WeakPolarHBondContact O-CB 3.48Å; V212-A216 PolarHBondContact O-N 3Å; M213-A216 PolarHBondContact O-N 3.37Å; A216-E218 PolarHBondContact O-N 2.9Å; A216-H219 PolarHBondContact O-N 2.84Å; A216-L220 PolarHBondContact O-N 3.11Å; A216-T221 PolarHBondContact O-N 3.46Å; A216-V223 HydrophobicContact CB-CG1 3.48Å; A216-V223 VanDerWaalsContact CB-CG1 3.48Å
217S98.3Very high98.1Very high73 Ų7356.5 Ų56.551%0.5131%0.305SS..Hα-helixtrans-63.4-25.3179.975.20000114M213 R214 A215 H219 L220M213-S217 PolarHBondContact O-N 3.1Å; M213-S217 VanDerWaalsContact O-N 3.16Å; R214-S217 WeakPolarHBondContact O-CB 3.18Å; R214-S217 PolarHBondContact O-N 2.9Å; R214-S217 PolarHBondContact O-OG 3.48Å; A215-S217 PolarHBondContact O-N 2.99Å; S217-H219 PolarHBondContact O-N 2.84Å; S217-L220 PolarHBondContact O-N 3.04Å; S217-L220 VanDerWaalsContact O-N 3.15Å
218E97.9Very high97.7Very high153 Ų15353.7 Ų53.772%0.71529%0.287SS*.THydrogen-bonded Turntrans-57.8-35.5178.2-17365-161.500111.9A215 A216A215-E218 WeakPolarHBondContact O-CB 3.32Å; A215-E218 PolarHBondContact O-N 3.38Å; A216-E218 PolarHBondContact O-N 2.9Å
219H98.1Very high97Very high67 Ų6750.9 Ų50.931%0.3127%0.271SS..THydrogen-bonded Turntrans-110.67.6179.4-62.3-66.1000113.4R194 R196 A216 S217 T221R194-H219 PolarHBondContact O-NE2 2.84Å; R196-H219 HydrophobicContact CG-CB 4.11Å; A216-H219 PolarHBondContact O-N 2.84Å; S217-H219 PolarHBondContact O-N 2.84Å; H219-T221 PolarHBondContact O-N 2.95Å
220L98.2Very high96.8Very high153 Ų15352.4 Ų52.480%0.80128%0.278SS*.THydrogen-bonded Turntrans51.936.1-169.1-56.2177.1000112.4A216 S217A216-L220 PolarHBondContact O-N 3.11Å; S217-L220 PolarHBondContact O-N 3.04Å; S217-L220 VanDerWaalsContact O-N 3.15Å
221T98.6Very high96.9Very high14 Ų1449.2 Ų49.29%0.08626%0.255CS..  trans-73.1125.6-179-62.10000109.6F197 I200 A216 H219F197-T221 HydrophobicContact CB-CG2 4.23Å; F197-T221 WeakPolarHBondContact O-CG2 3.3Å; F197-T221 PolarHBondContact O-OG1 3.05Å; I200-T221 HydrophobicContact CD1-CG2 3.96Å; I200-T221 HydrophobicContact CG1-CG2 3.84Å; A216-T221 PolarHBondContact O-N 3.46Å; H219-T221 PolarHBondContact O-N 2.95Å
222P98.5Very high96.9Very high65 Ų6543.7 Ų43.742%0.42223%0.228SC..  trans-63.9147.6174.226.9-34000110.9D198 H199 I200D198-P222 WeakPolarHBondContact O-CD 3.47Å; D198-P222 VanDerWaalsContact O-CG 3.25Å; D198-P222 WeakPolarHBondContact O-CG 3.34Å; H199-P222 WeakPolarHBondContact CA-O 3.33Å; H199-P222 HydrophobicContact CB-CG 4.49Å; I200-P222 PolarHBondContact N-O 3.26Å
223V98.7Very high96.9Very high23 Ų2343.5 Ų43.514%0.13923%0.227CC..EExtended strand (participates in β ladder)trans-122.7148.6-179.9-59.90000111.8I200 M213 A216 L225 M425I200-V223 HydrophobicContact CB-CG1 4.31Å; I200-V223 CarbonylContact O-C 3.51Å; I200-V223 VanDerWaalsContact O-CA 3.24Å; I200-V223 WeakPolarHBondContact O-CA 3.4Å; M213-V223 HydrophobicContact CG-CG2 4.23Å; A216-V223 HydrophobicContact CB-CG1 3.48Å; A216-V223 VanDerWaalsContact CB-CG1 3.48Å; V223-L225 HydrophobicContact CB-CD2 4.04Å; V223-L225 HydrophobicContact CB-CG 4.28Å; V223-L225 HydrophobicContact CG2-CD1 4.24Å; V223-L225 HydrophobicContact CG2-CD2 4.2Å; V223-L225 HydrophobicContact CG2-CG 3.96Å; V223-M425 HydrophobicContact CG2-SD 3.85Å
224T98.8Very high96.9Very high5 Ų539.3 Ų39.33%0.03121%0.206CC..EExtended strand (participates in β ladder)trans-119.2123.9158.9-60.50000107.3H199 I200 F201 F202 T436H199-T224 PolarHBondContact NE2-N 3.06Å; H199-T224 PolarHBondContact NE2-OG1 3.12Å; I200-T224 PolarHBondContact O-N 2.78Å; F201-T224 WeakPolarHBondContact CA-O 3.5Å; F201-T224 HydrophobicContact CD2-CG2 3.62Å; F201-T224 HydrophobicContact CE2-CG2 3.41Å; F201-T224 VanDerWaalsContact CE2-CG2 3.41Å; F201-T224 HydrophobicContact CZ-CG2 4.22Å; F202-T224 PolarHBondContact N-O 2.71Å; T224-T436 HydrophobicContact CG2-CG2 4.49Å; T224-T436 WeakPolarHBondContact OG1-CG2 3.41Å
225L98.7Very high96.9Very high5 Ų530.9 Ų30.93%0.02618%0.175CC..EExtended strand (participates in β ladder)trans-118.2108.5-176.1-54.4-178.5000107.4F202 V212 M213 V223 L227 G424 M425F202-L225 HydrophobicContact CB-CD2 3.94Å; F202-L225 HydrophobicContact CD1-CD2 4.23Å; F202-L225 WeakPolarHBondContact O-CA 3.4Å; V212-L225 HydrophobicContact CG1-CD2 4.46Å; M213-L225 HydrophobicContact CB-CD1 4.3Å; V223-L225 HydrophobicContact CB-CD2 4.04Å; V223-L225 HydrophobicContact CB-CG 4.28Å; V223-L225 HydrophobicContact CG2-CD1 4.24Å; V223-L225 HydrophobicContact CG2-CD2 4.2Å; V223-L225 HydrophobicContact CG2-CG 3.96Å; L225-L227 HydrophobicContact CB-CD1 3.91Å; L225-L227 HydrophobicContact CB-CD2 3.97Å; L225-L227 HydrophobicContact CB-CG 3.86Å; L225-L227 HydrophobicContact CD1-CD1 4.34Å; L225-G424 CarbonylContact O-C 3.46Å; L225-G424 VanDerWaalsContact O-CA 3.24Å; L225-G424 WeakPolarHBondContact O-CA 3.21Å; L225-M425 HydrophobicContact CB-CG 4.16Å; L225-M425 HydrophobicContact CD1-CE 4.06Å; L225-M425 HydrophobicContact CD1-CG 4.27Å; L225-M425 HydrophobicContact CD1-SD 4.32Å; L225-M425 HydrophobicContact CG-CG 4.09Å; L225-M425 PolarHBondContact N-O 2.78Å; L225-M425 PolarHBondContact O-N 2.74Å
226E98.4Very high96.8Very high2 Ų229.7 Ų29.71%0.00916%0.164CC..EExtended strand (participates in β ladder)trans-99.9101170.4-173.3-93.7151.500107.7F201 F202 T203 G204 C260 L377 F417 Y428F201-E226 HydrophobicContact CZ-CB 4.47Å; F202-E226 PolarHBondContact O-N 3.03Å; T203-E226 VanDerWaalsContact CA-O 3.24Å; T203-E226 WeakPolarHBondContact CA-O 3.42Å; T203-E226 WeakPolarHBondContact CB-OE2 3.24Å; T203-E226 WeakPolarHBondContact CG2-OE2 3.42Å; T203-E226 PolarHBondContact OG1-OE2 2.91Å; G204-E226 PolarHBondContact N-O 2.88Å; E226-C260 PolarHBondContact OE1-SG 2.84Å; E226-L377 WeakPolarHBondContact OE1-CD2 3.36Å; E226-F417 HydrophobicContact CG-CE1 3.89Å; E226-Y428 HydrophobicContact CB-CE1 4.4Å; E226-Y428 HydrophobicContact CG-CE1 4.07Å
227L97.7Very high96.6Very high8 Ų833 Ų334%0.04219%0.187CC..EExtended strand (participates in β ladder)trans-111.7155.4-167.1-48.7172.9000110.3F202 G204 L225 L377 S423F202-L227 HydrophobicContact CD1-CD2 3.64Å; F202-L227 HydrophobicContact CE1-CD2 3.56Å; G204-L227 VanDerWaalsContact O-CA 3.23Å; G204-L227 WeakPolarHBondContact O-CA 3.43Å; L225-L227 HydrophobicContact CB-CD1 3.91Å; L225-L227 HydrophobicContact CB-CD2 3.97Å; L225-L227 HydrophobicContact CB-CG 3.86Å; L225-L227 HydrophobicContact CD1-CD1 4.34Å; L227-L377 WeakPolarHBondContact O-CD2 3.36Å; L227-S423 WeakPolarHBondContact CB-O 3.38Å; L227-S423 PolarHBondContact N-O 3.24Å; L227-S423 VanDerWaalsContact N-O 3.09Å
228G86.6Confident96.4Very high12 Ų1233.9 Ų33.912%0.12419%0.185CC..  trans-49.7157.317200000113G204 E349G204-G228 PolarHBondContact O-N 3.01Å; G204-G228 VanDerWaalsContact O-N 3.12Å; G228-E349 VanDerWaalsContact CA-OE1 3.3Å; G228-E349 WeakPolarHBondContact CA-OE1 3.39Å
229G82.5Confident96.3Very high4 Ų427 Ų274%0.04115%0.154CC..  trans-146.7131.6-173.500000111.4C231 E349G229-C231 PolarHBondContact O-N 3.44Å; G229-C231 PolarHBondContact O-SG 2.93Å; G229-E349 PolarHBondContact N-OE1 3.44Å
230K95.1Very high96.2Very high32 Ų3226.9 Ų26.914%0.13916%0.156CC..  trans-74.770.1174.4-154.3-175.2173.962.60110.2P232 D264 Y265 I345 L346 D348K230-P232 WeakPolarHBondContact O-CD 3.37Å; K230-D264 HydrophobicContact CG-CB 4.2Å; K230-D264 WeakPolarHBondContact CG-OD1 3.36Å; K230-D264 IonicContact NZ-OD1 3.77Å; K230-D264 PolarHBondContact NZ-OD1 3.31Å; K230-Y265 HydrophobicContact CB-CE1 4.46Å; K230-Y265 HydrophobicContact CD-CD1 4.18Å; K230-Y265 HydrophobicContact CD-CE1 4.05Å; K230-Y265 HydrophobicContact CG-CD1 3.92Å; K230-Y265 HydrophobicContact CG-CE1 3.86Å; K230-Y265 VanDerWaalsContact O-CE1 3.29Å; K230-Y265 WeakPolarHBondContact O-CE1 3.31Å; K230-I345 PolarHBondContact NZ-O 2.93Å; K230-L346 VanDerWaalsContact CE-C 3.48Å; K230-L346 WeakPolarHBondContact CE-O 3.43Å; K230-D348 PolarHBondContact NZ-O 2.93Å
231C98.3Very high96.2Very high0 Ų020.3 Ų20.30%012%0.122CC..  trans-69.9112.5-166.8-61.30000111.8G229 C260 A262 D264 A378 Y380G229-C231 PolarHBondContact O-N 3.44Å; G229-C231 PolarHBondContact O-SG 2.93Å; C231-C260 PolarHBondContact SG-O 3.32Å; C231-A262 WeakPolarHBondContact CB-O 3.43Å; C231-D264 PolarHBondContact O-N 3.44Å; C231-A378 VanDerWaalsContact CA-O 3.27Å; C231-A378 WeakPolarHBondContact CA-O 3.44Å; C231-A378 VanDerWaalsContact CB-O 3.23Å; C231-A378 WeakPolarHBondContact CB-O 3.42Å; C231-A378 PolarHBondContact SG-N 3.12Å; C231-A378 VanDerWaalsContact SG-N 3.35Å; C231-A378 PolarHBondContact SG-O 3.18Å; C231-Y380 HydrophobicContact CB-CE2 4.1Å
232P98.6Very high96.1Very high0 Ų026 Ų260%015%0.147CC..EExtended strand (participates in β ladder)trans-73.4147.3175.828.2-33.9000111.9K230 I234 Y265 V370 P376 A378 I379 Y380K230-P232 WeakPolarHBondContact O-CD 3.37Å; P232-I234 HydrophobicContact CB-CD1 3.88Å; P232-I234 HydrophobicContact CG-CD1 4.17Å; P232-Y265 CarbonylContact C-O 3.58Å; P232-Y265 HydrophobicContact CB-CE1 3.98Å; P232-Y265 HydrophobicContact CB-CE2 3.82Å; P232-V370 HydrophobicContact CB-CG2 3.88Å; P232-V370 HydrophobicContact CG-CG1 4.12Å; P232-V370 HydrophobicContact CG-CG2 3.83Å; P232-P376 HydrophobicContact CG-CG 4.33Å; P232-A378 WeakPolarHBondContact CD-O 3.34Å; P232-I379 HydrophobicContact CG-CB 4.25Å; P232-I379 HydrophobicContact CG-CG1 3.83Å; P232-I379 HydrophobicContact CG-CG2 4.13Å; P232-Y380 PolarHBondContact O-N 3.48Å
233V98.8Very high96.1Very high0 Ų025.7 Ų25.70%014%0.144CC..EExtended strand (participates in β ladder)trans-111129.7158.7-175.40000108.5V235 I248 P263 Y265 L266 L267 Y380 F382V233-V235 HydrophobicContact CG1-CG2 3.86Å; V233-I248 HydrophobicContact CG1-CD1 3.68Å; V233-I248 HydrophobicContact CG1-CG1 3.9Å; V233-P263 HydrophobicContact CG2-CB 3.55Å; V233-P263 HydrophobicContact CG2-CG 3.86Å; V233-Y265 PolarHBondContact N-O 3.37Å; V233-L266 HydrophobicContact CB-CG 4.25Å; V233-L266 HydrophobicContact CG1-CD1 4.45Å; V233-L266 HydrophobicContact CG1-CG 4.37Å; V233-L266 CarbonylContact O-C 3.37Å; V233-L266 WeakPolarHBondContact O-CA 2.95Å; V233-L267 PolarHBondContact O-N 2.6Å; V233-Y380 CarbonylContact C-O 3.55Å; V233-Y380 WeakPolarHBondContact CA-O 3.49Å; V233-Y380 HydrophobicContact CG2-CD2 3.94Å; V233-Y380 HydrophobicContact CG2-CG 4.41Å; V233-F382 HydrophobicContact CG1-CD2 3.74Å; V233-F382 HydrophobicContact CG1-CE2 3.86Å
234I98.6Very high96.1Very high0 Ų024.7 Ų24.70%014%0.138CC..EExtended strand (participates in β ladder)trans-115.1125.6175.8-57.489.7000107.3P232 L267 M363 A366 V370 I379 Y380 L381 F382 F392P232-I234 HydrophobicContact CB-CD1 3.88Å; P232-I234 HydrophobicContact CG-CD1 4.17Å; I234-L267 WeakPolarHBondContact CA-O 3.25Å; I234-L267 HydrophobicContact CG1-CB 4.47Å; I234-L267 HydrophobicContact CG1-CD1 4.46Å; I234-M363 HydrophobicContact CG2-SD 3.38Å; I234-M363 WeakPolarHBondContact CG2-SD 3.29Å; I234-A366 HydrophobicContact CG1-CB 4.43Å; I234-A366 HydrophobicContact CG2-CB 3.95Å; I234-V370 HydrophobicContact CD1-CG2 4.18Å; I234-I379 HydrophobicContact CD1-CG2 3.73Å; I234-Y380 PolarHBondContact N-O 3.22Å; I234-L381 HydrophobicContact CB-CD1 3.85Å; I234-L381 HydrophobicContact CG2-CD1 3.85Å; I234-F382 PolarHBondContact O-N 3.3Å; I234-F392 HydrophobicContact CB-CZ 4.38Å; I234-F392 HydrophobicContact CD1-CE1 3.8Å; I234-F392 HydrophobicContact CD1-CZ 4.13Å; I234-F392 HydrophobicContact CG1-CE1 4.13Å; I234-F392 HydrophobicContact CG1-CZ 3.93Å; I234-F392 HydrophobicContact CG2-CZ 4.22Å
235V98.4Very high96.1Very high0 Ų024.4 Ų24.40%014%0.136CC..EExtended strand (participates in β ladder)trans-126.8116.5179.4-171.70000109.1V233 S239 I241 A244 I248 L266 L267 C268 L276 F382V233-V235 HydrophobicContact CG1-CG2 3.86Å; V235-S239 WeakPolarHBondContact CG1-OG 3.34Å; V235-I241 HydrophobicContact CG1-CD1 4.35Å; V235-A244 HydrophobicContact CG1-CB 4.36Å; V235-I248 HydrophobicContact CG2-CD1 3.67Å; V235-L266 HydrophobicContact CG2-CD1 4.28Å; V235-L266 HydrophobicContact CG2-CD2 4.28Å; V235-L266 HydrophobicContact CG2-CG 4.3Å; V235-L267 PolarHBondContact N-O 3.16Å; V235-C268 HydrophobicContact CB-CB 4.29Å; V235-C268 WeakPolarHBondContact O-CA 3.46Å; V235-L276 HydrophobicContact CB-CD2 3.95Å; V235-L276 HydrophobicContact CG1-CD2 3.98Å; V235-L276 HydrophobicContact CG2-CD2 3.99Å; V235-F382 HydrophobicContact CB-CB 4.44Å; V235-F382 HydrophobicContact CG1-CB 4.24Å; V235-F382 HydrophobicContact CG2-CB 4.15Å; V235-F382 HydrophobicContact CG2-CD2 4.33Å; V235-F382 HydrophobicContact CG2-CG 4.49Å
236D95.4Very high96.1Very high6 Ų629.2 Ų29.23%0.03216%0.157CC..  trans-94.816417483.1-4.2000112.3L238 S239 M363 F382 T383 L388D236-L238 PolarHBondContact O-N 3.25Å; D236-L238 VanDerWaalsContact O-N 3.17Å; D236-L238 PolarHBondContact OD1-N 3.31Å; D236-S239 WeakPolarHBondContact O-CB 3.24Å; D236-S239 PolarHBondContact O-N 3.28Å; D236-S239 PolarHBondContact O-OG 2.88Å; D236-S239 PolarHBondContact OD1-N 3.39Å; D236-M363 HydrophobicContact CB-CG 3.61Å; D236-M363 HydrophobicContact CB-SD 3.74Å; D236-F382 PolarHBondContact N-O 2.91Å; D236-T383 WeakPolarHBondContact OD1-CA 3.22Å; D236-T383 PolarHBondContact OD1-OG1 2.88Å; D236-T383 WeakPolarHBondContact OD2-CB 3.27Å; D236-T383 PolarHBondContact OD2-OG1 2.78Å; D236-L388 HydrophobicContact CB-CD2 4.43Å
237S94.3Very high96.1Very high70 Ų7033.4 Ų33.449%0.4917%0.173SC..THydrogen-bonded Turntrans-63.9-9.5176.748.70000115.8D269 T272S237-D269 PolarHBondContact N-OD2 3.42Å; S237-D269 PolarHBondContact OG-OD2 2.91Å; S237-T272 WeakPolarHBondContact CB-OG1 3.4Å
238L94.3Very high96.2Very high92 Ų9233 Ų3348%0.48217%0.171SC..THydrogen-bonded Turntrans-92.2-10.1176.5-61-178000112.7D236 R384 N385D236-L238 PolarHBondContact O-N 3.25Å; D236-L238 VanDerWaalsContact O-N 3.17Å; D236-L238 PolarHBondContact OD1-N 3.31Å; L238-R384 HydrophobicContact CB-CB 4.39Å; L238-R384 VanDerWaalsContact O-CD 3.27Å; L238-R384 WeakPolarHBondContact O-CD 3.44Å; L238-R384 WeakPolarHBondContact O-CG 3.29Å; L238-N385 HydrophobicContact CD1-CB 4.08Å
239S95.1Very high96.7Very high10 Ų1032.5 Ų32.57%0.0717%0.165CC..SBendtrans-69.8158.2176.169.90000112.2V235 D236 I241V235-S239 WeakPolarHBondContact CG1-OG 3.34Å; D236-S239 WeakPolarHBondContact O-CB 3.24Å; D236-S239 PolarHBondContact O-N 3.28Å; D236-S239 PolarHBondContact O-OG 2.88Å; D236-S239 PolarHBondContact OD1-N 3.39Å; S239-I241 PolarHBondContact O-N 3.21Å; S239-I241 WeakPolarHBondContact OG-CD1 3.47Å
240D96.8Very high97.5Very high63 Ų6336.2 Ų36.234%0.33718%0.178SC..  trans-78.5102.1168.7-174-42.4000108.5Q242 V243 A244 R384D240-Q242 VanDerWaalsContact C-N 3.27Å; D240-Q242 PolarHBondContact O-N 3.2Å; D240-Q242 PolarHBondContact OD1-N 3.15Å; D240-V243 HydrophobicContact CB-CB 4Å; D240-V243 HydrophobicContact CB-CG2 4.2Å; D240-V243 PolarHBondContact O-N 3.23Å; D240-V243 WeakPolarHBondContact OD1-CG2 3.31Å; D240-V243 PolarHBondContact OD1-N 3.42Å; D240-A244 VanDerWaalsContact O-CB 3.3Å; D240-A244 WeakPolarHBondContact O-CB 3.41Å; D240-A244 PolarHBondContact O-N 3.32Å; D240-R384 IonicContact OD2-NH2 2.7Å
241I97.3Very high97.6Very high16 Ų1634.7 Ų34.78%0.08217%0.171CC..Hα-helixtrans-60.9-36.7-171.3-55.5-48.8000112V235 S239 A245 T272 E275 L276 C279V235-I241 HydrophobicContact CG1-CD1 4.35Å; S239-I241 PolarHBondContact O-N 3.21Å; S239-I241 WeakPolarHBondContact OG-CD1 3.47Å; I241-A245 WeakPolarHBondContact O-CB 3.36Å; I241-A245 PolarHBondContact O-N 3.37Å; I241-T272 HydrophobicContact CD1-CG2 3.24Å; I241-T272 HydrophobicContact CG1-CG2 3.99Å; I241-E275 HydrophobicContact CG2-CG 4.11Å; I241-L276 HydrophobicContact CG2-CB 4.08Å; I241-L276 HydrophobicContact CG2-CD1 3.95Å; I241-C279 HydrophobicContact CG2-CB 4.39Å
242Q98Very high97.6Very high134 Ų13434.8 Ų34.863%0.62617%0.171SC*.Hα-helixtrans-68.9-44.6179.3-64-1751000111.4D240 K246D240-Q242 VanDerWaalsContact C-N 3.27Å; D240-Q242 PolarHBondContact O-N 3.2Å; D240-Q242 PolarHBondContact OD1-N 3.15Å; Q242-K246 WeakPolarHBondContact O-CB 3.36Å; Q242-K246 PolarHBondContact O-N 3.3Å; Q242-K246 VanDerWaalsContact O-N 3.08Å
243V98.4Very high97.5Very high58 Ų5834.8 Ų34.835%0.35217%0.171SC..Hα-helixtrans-67.1-43.7177.3173.30000111.1D240 K246 R247D240-V243 HydrophobicContact CB-CB 4Å; D240-V243 HydrophobicContact CB-CG2 4.2Å; D240-V243 PolarHBondContact O-N 3.23Å; D240-V243 WeakPolarHBondContact OD1-CG2 3.31Å; D240-V243 PolarHBondContact OD1-N 3.42Å; V243-K246 PolarHBondContact O-N 3.31Å; V243-R247 WeakPolarHBondContact O-CG 3.19Å; V243-R247 PolarHBondContact O-N 3.39Å
244A98.5Very high97.2Very high1 Ų135.5 Ų35.51%0.00818%0.175CC..Hα-helixtrans-59.4-52.917700000110.7V235 D240 K246 R247 I248 F382V235-A244 HydrophobicContact CG1-CB 4.36Å; D240-A244 VanDerWaalsContact O-CB 3.3Å; D240-A244 WeakPolarHBondContact O-CB 3.41Å; D240-A244 PolarHBondContact O-N 3.32Å; A244-K246 VanDerWaalsContact C-N 3.31Å; A244-K246 PolarHBondContact O-N 3.29Å; A244-R247 PolarHBondContact O-N 2.69Å; A244-I248 HydrophobicContact CB-CD1 4.29Å; A244-I248 WeakPolarHBondContact O-CB 3.11Å; A244-I248 WeakPolarHBondContact O-CD1 3.45Å; A244-I248 WeakPolarHBondContact O-CG1 3.38Å; A244-I248 PolarHBondContact O-N 3.25Å; A244-F382 HydrophobicContact CB-CB 4.25Å; A244-F382 HydrophobicContact CB-CD1 3.59Å; A244-F382 HydrophobicContact CB-CE1 4.14Å; A244-F382 HydrophobicContact CB-CG 4Å
245A98.7Very high96.9Very high0 Ų035.7 Ų35.70%018%0.177CC..Hα-helixtrans-53.8-47.1177.300000112.1I241 R247 I248 V249 L276 C279 M280I241-A245 WeakPolarHBondContact O-CB 3.36Å; I241-A245 PolarHBondContact O-N 3.37Å; A245-R247 PolarHBondContact O-N 2.83Å; A245-I248 PolarHBondContact O-N 3.43Å; A245-V249 VanDerWaalsContact O-CB 3.31Å; A245-V249 WeakPolarHBondContact O-CB 3.49Å; A245-V249 WeakPolarHBondContact O-CG2 3.39Å; A245-V249 PolarHBondContact O-N 3.3Å; A245-L276 HydrophobicContact CB-CD1 4.09Å; A245-C279 HydrophobicContact CB-CB 3.52Å; A245-M280 HydrophobicContact CB-CG 3.7Å
246K98.7Very high96.7Very high106 Ų10635.7 Ų35.746%0.46118%0.177SC..Hα-helixtrans-61-45.8179.9-172.1177.5-178.5178.40112.7Q242 V243 A244 W250 Q283 F287Q242-K246 WeakPolarHBondContact O-CB 3.36Å; Q242-K246 PolarHBondContact O-N 3.3Å; Q242-K246 VanDerWaalsContact O-N 3.08Å; V243-K246 PolarHBondContact O-N 3.31Å; A244-K246 VanDerWaalsContact C-N 3.31Å; A244-K246 PolarHBondContact O-N 3.29Å; K246-W250 WeakPolarHBondContact O-CB 3.38Å; K246-W250 PolarHBondContact O-N 3.47Å; K246-Q283 HydrophobicContact CB-CG 3.99Å; K246-Q283 HydrophobicContact CG-CG 4.39Å; K246-F287 HydrophobicContact CG-CE1 4.28Å; K246-F287 HydrophobicContact CG-CZ 3.68Å
247R98.6Very high96.8Very high90 Ų9035.4 Ų35.434%0.3418%0.176SC..Hα-helixtrans-69.1-41.4179.8-74.4174.6159.4154.15112.2V243 A244 A245 W250 G251 F382 N404 D405 V406V243-R247 WeakPolarHBondContact O-CG 3.19Å; V243-R247 PolarHBondContact O-N 3.39Å; A244-R247 PolarHBondContact O-N 2.69Å; A245-R247 PolarHBondContact O-N 2.83Å; R247-W250 PolarHBondContact O-N 2.81Å; R247-G251 PolarHBondContact O-N 2.59Å; R247-F382 HydrophobicContact CB-CE1 4.04Å; R247-F382 HydrophobicContact CB-CZ 3.98Å; R247-N404 VanDerWaalsContact CD-O 3.31Å; R247-N404 WeakPolarHBondContact CD-O 3.2Å; R247-N404 PolarHBondContact NH1-O 3.16Å; R247-D405 WeakPolarHBondContact CD-OD1 3.26Å; R247-D405 IonicContact CZ-OD2 3.62Å; R247-D405 VanDerWaalsContact CZ-OD2 3.23Å; R247-D405 VanDerWaalsContact NE-CG 3.33Å; R247-D405 IonicContact NE-OD1 2.72Å; R247-D405 IonicContact NE-OD2 3.12Å; R247-D405 PolarHBondContact NE-OD2 3.26Å; R247-D405 IonicContact NH2-OD2 3.41Å; R247-D405 PolarHBondContact NH2-OD2 3.28Å; R247-V406 VanDerWaalsContact O-CG2 3.26Å; R247-V406 WeakPolarHBondContact O-CG2 3.42Å
248I98.8Very high96.9Very high0 Ų032.3 Ų32.30%015%0.154CC..Hα-helixtrans-63.9-48177.6-67.5164.3000110.6V233 V235 A244 A245 W250 G251 K252 L266 M280 L355 F382V233-I248 HydrophobicContact CG1-CD1 3.68Å; V233-I248 HydrophobicContact CG1-CG1 3.9Å; V235-I248 HydrophobicContact CG2-CD1 3.67Å; A244-I248 HydrophobicContact CB-CD1 4.29Å; A244-I248 WeakPolarHBondContact O-CB 3.11Å; A244-I248 WeakPolarHBondContact O-CD1 3.45Å; A244-I248 WeakPolarHBondContact O-CG1 3.38Å; A244-I248 PolarHBondContact O-N 3.25Å; A245-I248 PolarHBondContact O-N 3.43Å; I248-W250 VanDerWaalsContact C-N 3.33Å; I248-W250 PolarHBondContact O-N 3.49Å; I248-G251 PolarHBondContact O-N 3.34Å; I248-K252 VanDerWaalsContact O-CB 3.22Å; I248-K252 WeakPolarHBondContact O-CB 3.39Å; I248-K252 PolarHBondContact O-N 2.73Å; I248-L266 HydrophobicContact CD1-CD1 3.89Å; I248-L266 HydrophobicContact CG2-CD1 4.08Å; I248-M280 HydrophobicContact CG2-SD 3.93Å; I248-L355 HydrophobicContact CG2-CD2 3.7Å; I248-F382 HydrophobicContact CD1-CD2 4.19Å; I248-F382 HydrophobicContact CD1-CE2 4.08Å; I248-F382 HydrophobicContact CD1-CZ 4.49Å; I248-F382 HydrophobicContact CG1-CD2 4.34Å; I248-F382 HydrophobicContact CG1-CE2 3.73Å; I248-F382 HydrophobicContact CG1-CZ 3.94Å
249V98.7Very high97Very high0 Ų028.2 Ų28.20%013%0.132CC..Hα-helixtrans-58-47.4175.7166.40000110.2A245 K252 Y253 M280 Q283 I284 F287A245-V249 VanDerWaalsContact O-CB 3.31Å; A245-V249 WeakPolarHBondContact O-CB 3.49Å; A245-V249 WeakPolarHBondContact O-CG2 3.39Å; A245-V249 PolarHBondContact O-N 3.3Å; V249-K252 PolarHBondContact O-N 3.48Å; V249-Y253 HydrophobicContact CB-CD2 4.23Å; V249-Y253 HydrophobicContact CB-CE2 4.35Å; V249-Y253 HydrophobicContact CG1-CD2 3.75Å; V249-Y253 HydrophobicContact CG1-CE2 4.13Å; V249-Y253 HydrophobicContact CG2-CE2 4.22Å; V249-Y253 WeakPolarHBondContact O-CD2 3.48Å; V249-Y253 PolarHBondContact O-N 3.08Å; V249-Y253 VanDerWaalsContact O-N 3.07Å; V249-M280 HydrophobicContact CG2-CB 3.71Å; V249-M280 HydrophobicContact CG2-CG 3.83Å; V249-Q283 HydrophobicContact CB-CB 4.21Å; V249-Q283 HydrophobicContact CG1-CB 4.11Å; V249-Q283 HydrophobicContact CG2-CB 4.13Å; V249-I284 HydrophobicContact CG1-CG1 3.78Å; V249-I284 HydrophobicContact CG2-CG1 4.07Å; V249-F287 HydrophobicContact CB-CE2 4.41Å; V249-F287 HydrophobicContact CG1-CD2 3.7Å; V249-F287 HydrophobicContact CG1-CE2 3.83Å
250W97.7Very high97.1Very high83 Ų8328.4 Ų28.431%0.31413%0.133SC..Hα-helixtrans-56.8-55177.1174.777.7000111.8F78 K246 R247 I248 K252 Y253 I254 F287 V406 M407F78-W250 HydrophobicContact CZ-CH2 4.41Å; F78-W250 AromaticContact CZ-CZ2 3.97Å; F78-W250 HydrophobicContact CZ-CZ2 3.97Å; K246-W250 WeakPolarHBondContact O-CB 3.38Å; K246-W250 PolarHBondContact O-N 3.47Å; R247-W250 PolarHBondContact O-N 2.81Å; I248-W250 VanDerWaalsContact C-N 3.33Å; I248-W250 PolarHBondContact O-N 3.49Å; W250-K252 VanDerWaalsContact C-N 3.3Å; W250-K252 PolarHBondContact O-N 2.78Å; W250-Y253 PolarHBondContact O-N 2.95Å; W250-I254 HydrophobicContact CZ2-CD1 3.83Å; W250-I254 VanDerWaalsContact O-CB 3.3Å; W250-I254 WeakPolarHBondContact O-CB 3.28Å; W250-I254 WeakPolarHBondContact O-CG2 3.4Å; W250-I254 PolarHBondContact O-N 3Å; W250-F287 HydrophobicContact CB-CE2 3.86Å; W250-F287 HydrophobicContact CB-CZ 4.47Å; W250-V406 HydrophobicContact CE3-CG2 3.91Å; W250-V406 HydrophobicContact CZ3-CG2 4.07Å; W250-M407 HydrophobicContact CZ3-CB 4.24Å; W250-M407 HydrophobicContact CZ3-SD 4.45Å
251G97.4Very high97.1Very high0 Ų025.8 Ų25.80%012%0.119CC..Hα-helixtrans-67.8-28.5-177.200000113.9R247 I248 P263R247-G251 PolarHBondContact O-N 2.59Å; I248-G251 PolarHBondContact O-N 3.34Å; G251-P263 VanDerWaalsContact C-CD 3.48Å; G251-P263 WeakPolarHBondContact O-CD 3.42Å
252K98.2Very high97.2Very high1 Ų125.2 Ų25.20%0.00412%0.117CC..Hα-helixtrans-73.8-41.6178.6176.862.7-173.5178.60112.8I248 V249 W250 G257 P263 G352 I354 L355I248-K252 VanDerWaalsContact O-CB 3.22Å; I248-K252 WeakPolarHBondContact O-CB 3.39Å; I248-K252 PolarHBondContact O-N 2.73Å; V249-K252 PolarHBondContact O-N 3.48Å; W250-K252 VanDerWaalsContact C-N 3.3Å; W250-K252 PolarHBondContact O-N 2.78Å; K252-G257 WeakPolarHBondContact O-CA 3.35Å; K252-G257 PolarHBondContact O-N 3.27Å; K252-P263 HydrophobicContact CB-CB 4.23Å; K252-P263 HydrophobicContact CB-CG 4.41Å; K252-P263 HydrophobicContact CD-CB 4.28Å; K252-P263 WeakPolarHBondContact CD-O 3.24Å; K252-P263 PolarHBondContact NZ-O 2.95Å; K252-G352 WeakPolarHBondContact CE-O 3.43Å; K252-G352 PolarHBondContact NZ-O 3.45Å; K252-I354 WeakPolarHBondContact CE-O 3.19Å; K252-I354 PolarHBondContact NZ-O 3.38Å; K252-L355 HydrophobicContact CD-CB 4.2Å; K252-L355 HydrophobicContact CD-CD1 4.3Å; K252-L355 HydrophobicContact CG-CB 4.09Å
253Y97.2Very high97.2Very high1 Ų118.9 Ų18.90%0.0049%0.087CC..Hα-helixtrans-104.6-11.5-166.3-59.1-63.3000113.6V249 W250 C256 I284 Y288 P334 T335 I336 P353V249-Y253 HydrophobicContact CB-CD2 4.23Å; V249-Y253 HydrophobicContact CB-CE2 4.35Å; V249-Y253 HydrophobicContact CG1-CD2 3.75Å; V249-Y253 HydrophobicContact CG1-CE2 4.13Å; V249-Y253 HydrophobicContact CG2-CE2 4.22Å; V249-Y253 WeakPolarHBondContact O-CD2 3.48Å; V249-Y253 PolarHBondContact O-N 3.08Å; V249-Y253 VanDerWaalsContact O-N 3.07Å; W250-Y253 PolarHBondContact O-N 2.95Å; Y253-C256 WeakPolarHBondContact O-CA 3.26Å; Y253-C256 PolarHBondContact O-N 3.46Å; Y253-I284 HydrophobicContact CD2-CG1 4.13Å; Y253-I284 HydrophobicContact CE2-CD1 3.65Å; Y253-I284 HydrophobicContact CE2-CG1 3.7Å; Y253-Y288 WeakPolarHBondContact CB-OH 3.43Å; Y253-Y288 HydrophobicContact CG-CE2 4.44Å; Y253-P334 HydrophobicContact CD1-CB 3.66Å; Y253-P334 HydrophobicContact CD1-CG 4.27Å; Y253-P334 HydrophobicContact CD2-CB 4.36Å; Y253-P334 HydrophobicContact CE1-CB 3.59Å; Y253-P334 HydrophobicContact CE2-CB 4.33Å; Y253-P334 HydrophobicContact CG-CB 4.07Å; Y253-T335 PolarHBondContact OH-O 2.94Å; Y253-I336 VanDerWaalsContact OH-CG1 3.23Å; Y253-I336 WeakPolarHBondContact OH-CG1 3.49Å; Y253-P353 HydrophobicContact CD1-CB 3.78Å; Y253-P353 HydrophobicContact CE1-CB 4.15Å; Y253-P353 WeakPolarHBondContact CE1-O 3.2Å
254I92.7Very high97.2Very high14 Ų1416.3 Ų16.37%0.0727%0.072CC..G310 helixtrans-57.1140.2166.2-162.3164.8000110.9E74 F78 W250 C256 G257 M407E74-I254 HydrophobicContact CG-CD1 4.34Å; E74-I254 HydrophobicContact CG-CG1 4.18Å; E74-I254 WeakPolarHBondContact OE1-CG1 3.37Å; F78-I254 HydrophobicContact CD2-CD1 4.2Å; F78-I254 HydrophobicContact CE2-CD1 3.35Å; F78-I254 HydrophobicContact CE2-CG1 4.46Å; F78-I254 HydrophobicContact CZ-CD1 3.64Å; W250-I254 HydrophobicContact CZ2-CD1 3.83Å; W250-I254 VanDerWaalsContact O-CB 3.3Å; W250-I254 WeakPolarHBondContact O-CB 3.28Å; W250-I254 WeakPolarHBondContact O-CG2 3.4Å; W250-I254 PolarHBondContact O-N 3Å; I254-C256 PolarHBondContact O-N 2.93Å; I254-C256 VanDerWaalsContact O-N 3.08Å; I254-G257 PolarHBondContact O-N 2.96Å; I254-M407 HydrophobicContact CG2-CE 3.93Å; I254-M407 HydrophobicContact CG2-SD 3.9Å
255G91.6Very high97.2Very high5 Ų516.5 Ų16.55%0.0527%0.072CC..G310 helixtrans5720.8-171.800000114.8E74 G257 Q258E74-G255 WeakPolarHBondContact OE1-CA 2.99Å; E74-G255 PolarHBondContact OE1-N 3.45Å; G255-G257 PolarHBondContact O-N 2.91Å; G255-Q258 WeakPolarHBondContact O-CB 3.11Å; G255-Q258 PolarHBondContact O-N 3.28Å; G255-Q258 PolarHBondContact O-NE2 3.31Å
256C95.3Very high97.2Very high0 Ų016.5 Ų16.50%07%0.072CC..G310 helixtrans5833.6-171.8-156.70000112.3Y253 I254 Q258 Y298 G352 P353Y253-C256 WeakPolarHBondContact O-CA 3.26Å; Y253-C256 PolarHBondContact O-N 3.46Å; I254-C256 PolarHBondContact O-N 2.93Å; I254-C256 VanDerWaalsContact O-N 3.08Å; C256-Q258 PolarHBondContact O-N 3.36Å; C256-Q258 VanDerWaalsContact O-N 3.16Å; C256-Y298 PolarHBondContact SG-OH 3.25Å; C256-Y298 VanDerWaalsContact SG-OH 3.41Å; C256-G352 CarbonylContact O-C 3.59Å; C256-G352 WeakPolarHBondContact O-CA 3.42Å; C256-P353 WeakPolarHBondContact O-CD 3.31Å
257G96.6Very high97.2Very high0 Ų011.4 Ų11.40%05%0.05CC..G310 helixtrans68.78.4-179.700000115.6K252 I254 G255 T259 F351 G352K252-G257 WeakPolarHBondContact O-CA 3.35Å; K252-G257 PolarHBondContact O-N 3.27Å; I254-G257 PolarHBondContact O-N 2.96Å; G255-G257 PolarHBondContact O-N 2.91Å; G257-T259 PolarHBondContact O-N 2.88Å; G257-F351 CarbonylContact O-C 3.52Å; G257-G352 PolarHBondContact O-N 3.34Å; G257-G352 VanDerWaalsContact O-N 3.15Å
258Q97.2Very high97.2Very high5 Ų57.1 Ų7.12%0.0233%0.034CC..  trans-83.360.9177.3-63.6171.2115.600110.3W130 N131 G255 C256 R300 I301 F351W130-Q258 HydrophobicContact CH2-CB 4.03Å; W130-Q258 HydrophobicContact CH2-CG 4.03Å; W130-Q258 VanDerWaalsContact CH2-OE1 3.3Å; W130-Q258 HydrophobicContact CZ3-CB 3.97Å; W130-Q258 HydrophobicContact CZ3-CG 4.22Å; N131-Q258 VanDerWaalsContact CB-O 3.28Å; N131-Q258 WeakPolarHBondContact CB-O 3.44Å; N131-Q258 PolarHBondContact ND2-O 3.01Å; G255-Q258 WeakPolarHBondContact O-CB 3.11Å; G255-Q258 PolarHBondContact O-N 3.28Å; G255-Q258 PolarHBondContact O-NE2 3.31Å; C256-Q258 PolarHBondContact O-N 3.36Å; C256-Q258 VanDerWaalsContact O-N 3.16Å; Q258-R300 PolarHBondContact NE2-O 3.21Å; Q258-I301 HydrophobicContact CG-CD1 4.48Å; Q258-F351 HydrophobicContact CB-CD1 3.91Å; Q258-F351 HydrophobicContact CB-CE1 3.7Å; Q258-F351 HydrophobicContact CG-CD1 4.16Å; Q258-F351 HydrophobicContact CG-CE1 4.38Å
259T96.6Very high96.9Very high5 Ų58 Ų83%0.0314%0.039CC..  trans-139.1128.4-175.7-62.50000109.8Y132 G257 I261 A262 M407Y132-T259 HydrophobicContact CE2-CG2 3.81Å; Y132-T259 WeakPolarHBondContact CE2-OG1 3.47Å; Y132-T259 WeakPolarHBondContact OH-CG2 3.37Å; Y132-T259 PolarHBondContact OH-OG1 3.49Å; G257-T259 PolarHBondContact O-N 2.88Å; T259-I261 HydrophobicContact CG2-CG1 3.54Å; T259-I261 PolarHBondContact O-N 2.78Å; T259-I261 VanDerWaalsContact O-N 3.14Å; T259-A262 WeakPolarHBondContact O-CB 2.9Å; T259-A262 PolarHBondContact O-N 2.93Å; T259-M407 HydrophobicContact CG2-CE 3.8Å
260C96.6Very high96.6Very high14 Ų1415 Ų1510%0.0957%0.065CC..THydrogen-bonded Turntrans-58.6-27.4-177.851.60000113.9E226 C231 F351 L377E226-C260 PolarHBondContact OE1-SG 2.84Å; C231-C260 PolarHBondContact SG-O 3.32Å; C260-F351 HydrophobicContact CB-CE2 4.49Å; C260-L377 HydrophobicContact CB-CD2 3.87Å
261I97.2Very high96.2Very high8 Ų820.3 Ų20.34%0.0419%0.091CC..THydrogen-bonded Turntrans-104.710.7177.160.9172.4000113.2T259 L377 A378 Y380 M407 T410 F417T259-I261 HydrophobicContact CG2-CG1 3.54Å; T259-I261 PolarHBondContact O-N 2.78Å; T259-I261 VanDerWaalsContact O-N 3.14Å; I261-L377 HydrophobicContact CG2-CB 4.46Å; I261-L377 HydrophobicContact CG2-CD2 3.43Å; I261-L377 VanDerWaalsContact CG2-CD2 3.43Å; I261-L377 HydrophobicContact CG2-CG 3.79Å; I261-A378 HydrophobicContact CG2-CB 4.47Å; I261-Y380 VanDerWaalsContact O-CE2 3.24Å; I261-Y380 WeakPolarHBondContact O-CE2 3.49Å; I261-Y380 VanDerWaalsContact O-CZ 3.3Å; I261-Y380 PolarHBondContact O-OH 3.08Å; I261-M407 HydrophobicContact CD1-CB 3.93Å; I261-M407 HydrophobicContact CD1-CE 4.37Å; I261-M407 HydrophobicContact CD1-CG 3.98Å; I261-M407 HydrophobicContact CG1-CE 4.36Å; I261-M407 HydrophobicContact CG1-CG 4.01Å; I261-T410 HydrophobicContact CD1-CG2 3.43Å; I261-T410 VanDerWaalsContact CD1-CG2 3.43Å; I261-F417 HydrophobicContact CG2-CE2 3.85Å; I261-F417 HydrophobicContact CG2-CZ 3.86Å
262A97.8Very high95.9Very high5 Ų520.6 Ų20.64%0.0419%0.092CC..SBendtrans-64.7148.4174.600000110.1C231 T259 D264C231-A262 WeakPolarHBondContact CB-O 3.43Å; T259-A262 WeakPolarHBondContact O-CB 2.9Å; T259-A262 PolarHBondContact O-N 2.93Å; A262-D264 PolarHBondContact O-N 2.99Å
263P98.7Very high95.7Very high0 Ų021.7 Ų21.70%010%0.097CC..  trans-43.1117.3159.6-32.839.8000111.3V233 G251 K252 L355 Y380 V406V233-P263 HydrophobicContact CG2-CB 3.55Å; V233-P263 HydrophobicContact CG2-CG 3.86Å; G251-P263 VanDerWaalsContact C-CD 3.48Å; G251-P263 WeakPolarHBondContact O-CD 3.42Å; K252-P263 HydrophobicContact CB-CB 4.23Å; K252-P263 HydrophobicContact CB-CG 4.41Å; K252-P263 HydrophobicContact CD-CB 4.28Å; K252-P263 WeakPolarHBondContact CD-O 3.24Å; K252-P263 PolarHBondContact NZ-O 2.95Å; P263-L355 HydrophobicContact CB-CD1 4.31Å; P263-Y380 HydrophobicContact CG-CD2 4.41Å; P263-Y380 HydrophobicContact CG-CE2 4.44Å; P263-V406 HydrophobicContact CG-CG1 4.15Å
264D98.4Very high95.7Very high5 Ų529 Ų293%0.02713%0.131CC..  trans-102.5-35.2-179.6-160.1-102.6000111.3K230 C231 A262 I350 P356K230-D264 HydrophobicContact CG-CB 4.2Å; K230-D264 WeakPolarHBondContact CG-OD1 3.36Å; K230-D264 IonicContact NZ-OD1 3.77Å; K230-D264 PolarHBondContact NZ-OD1 3.31Å; C231-D264 PolarHBondContact O-N 3.44Å; A262-D264 PolarHBondContact O-N 2.99Å; D264-I350 VanDerWaalsContact O-CD1 3.29Å; D264-I350 WeakPolarHBondContact O-CD1 3.43Å; D264-I350 WeakPolarHBondContact OD2-CB 3.5Å; D264-I350 PolarHBondContact OD2-N 3.36Å; D264-P356 WeakPolarHBondContact O-CD 3.09Å
265Y98.6Very high95.9Very high4 Ų433.4 Ų33.42%0.01615%0.151CC..EExtended strand (participates in β ladder)trans-150.5154.5170.765.4-80.8000111.9K230 P232 V233 L267 L346K230-Y265 HydrophobicContact CB-CE1 4.46Å; K230-Y265 HydrophobicContact CD-CD1 4.18Å; K230-Y265 HydrophobicContact CD-CE1 4.05Å; K230-Y265 HydrophobicContact CG-CD1 3.92Å; K230-Y265 HydrophobicContact CG-CE1 3.86Å; K230-Y265 VanDerWaalsContact O-CE1 3.29Å; K230-Y265 WeakPolarHBondContact O-CE1 3.31Å; P232-Y265 CarbonylContact C-O 3.58Å; P232-Y265 HydrophobicContact CB-CE1 3.98Å; P232-Y265 HydrophobicContact CB-CE2 3.82Å; V233-Y265 PolarHBondContact N-O 3.37Å; Y265-L267 HydrophobicContact CD2-CD2 3.81Å; Y265-L267 HydrophobicContact CD2-CG 4.03Å; Y265-L267 HydrophobicContact CE2-CD1 4.06Å; Y265-L267 HydrophobicContact CE2-CD2 3.86Å; Y265-L267 HydrophobicContact CE2-CG 3.85Å; Y265-L346 HydrophobicContact CD1-CD2 4.43Å; Y265-L346 HydrophobicContact CD2-CD2 4.48Å; Y265-L346 HydrophobicContact CG-CD2 3.89Å
266L98.7Very high96.3Very high0 Ų033.1 Ų33.10%015%0.149CC..EExtended strand (participates in β ladder)trans-115.2127.2-178.4-165.1153.9000110.6V233 V235 I248 C268 L276 M280 L355 P356 V357 V358V233-L266 HydrophobicContact CB-CG 4.25Å; V233-L266 HydrophobicContact CG1-CD1 4.45Å; V233-L266 HydrophobicContact CG1-CG 4.37Å; V233-L266 CarbonylContact O-C 3.37Å; V233-L266 WeakPolarHBondContact O-CA 2.95Å; V235-L266 HydrophobicContact CG2-CD1 4.28Å; V235-L266 HydrophobicContact CG2-CD2 4.28Å; V235-L266 HydrophobicContact CG2-CG 4.3Å; I248-L266 HydrophobicContact CD1-CD1 3.89Å; I248-L266 HydrophobicContact CG2-CD1 4.08Å; L266-C268 HydrophobicContact CD2-CB 3.6Å; L266-L276 HydrophobicContact CD1-CD2 3.99Å; L266-L276 HydrophobicContact CD2-CD2 3.69Å; L266-L276 HydrophobicContact CG-CD2 4.49Å; L266-M280 HydrophobicContact CD1-CE 4.21Å; L266-M280 HydrophobicContact CD1-SD 4.06Å; L266-L355 HydrophobicContact CB-CD1 4.25Å; L266-L355 HydrophobicContact CB-CG 4.49Å; L266-L355 HydrophobicContact CD1-CD2 4.29Å; L266-P356 PolarHBondContact N-O 2.96Å; L266-V357 HydrophobicContact CB-CG2 4.35Å; L266-V357 HydrophobicContact CD2-CG1 4.06Å; L266-V358 PolarHBondContact O-N 2.98Å
267L98.7Very high96.4Very high0 Ų033.6 Ų33.60%015%0.152CC..EExtended strand (participates in β ladder)trans-105.7124.6168.4-53.5-176.6000108.4V233 I234 V235 Y265 L341 V358 V360 A366 I369 V370V233-L267 PolarHBondContact O-N 2.6Å; I234-L267 WeakPolarHBondContact CA-O 3.25Å; I234-L267 HydrophobicContact CG1-CB 4.47Å; I234-L267 HydrophobicContact CG1-CD1 4.46Å; V235-L267 PolarHBondContact N-O 3.16Å; Y265-L267 HydrophobicContact CD2-CD2 3.81Å; Y265-L267 HydrophobicContact CD2-CG 4.03Å; Y265-L267 HydrophobicContact CE2-CD1 4.06Å; Y265-L267 HydrophobicContact CE2-CD2 3.86Å; Y265-L267 HydrophobicContact CE2-CG 3.85Å; L267-L341 HydrophobicContact CD2-CD2 4.5Å; L267-V358 WeakPolarHBondContact CA-O 3.37Å; L267-V358 HydrophobicContact CD2-CB 3.76Å; L267-V358 HydrophobicContact CD2-CG1 4.23Å; L267-V358 HydrophobicContact CD2-CG2 4.19Å; L267-V360 HydrophobicContact CB-CG1 4.33Å; L267-V360 HydrophobicContact CD2-CG1 4.39Å; L267-A366 HydrophobicContact CB-CB 4.23Å; L267-A366 HydrophobicContact CD1-CB 3.94Å; L267-I369 HydrophobicContact CD1-CB 4.15Å; L267-I369 HydrophobicContact CD1-CD1 4.41Å; L267-I369 HydrophobicContact CD1-CG2 3.98Å; L267-V370 HydrophobicContact CD1-CG2 4.2Å
268C98.1Very high96.5Very high0 Ų038.4 Ų38.40%018%0.177CC..EExtended strand (participates in β ladder)trans-142.2156.4175.659.70000112.1V235 L266 W270 L276 V358 G359 V360V235-C268 HydrophobicContact CB-CB 4.29Å; V235-C268 WeakPolarHBondContact O-CA 3.46Å; L266-C268 HydrophobicContact CD2-CB 3.6Å; C268-W270 PolarHBondContact O-N 2.85Å; C268-L276 HydrophobicContact CB-CD2 4.06Å; C268-V358 PolarHBondContact N-O 2.82Å; C268-G359 CarbonylContact O-C 3.34Å; C268-G359 WeakPolarHBondContact O-CA 3.35Å; C268-V360 WeakPolarHBondContact O-CG2 3.42Å; C268-V360 PolarHBondContact O-N 2.93Å
269D92.2Very high96.6Very high17 Ų1739.3 Ų39.39%0.09118%0.184CC..EExtended strand (participates in β ladder)trans-55.3140.4171-66.7-46.4000110.4S237 K271 T272 K273 M363S237-D269 PolarHBondContact N-OD2 3.42Å; S237-D269 PolarHBondContact OG-OD2 2.91Å; D269-K271 PolarHBondContact O-N 3.2Å; D269-K271 VanDerWaalsContact O-N 3.1Å; D269-T272 PolarHBondContact O-N 2.92Å; D269-K273 PolarHBondContact O-N 3.04Å; D269-K273 VanDerWaalsContact O-N 3.08Å; D269-M363 HydrophobicContact CB-CE 4.45Å; D269-M363 WeakPolarHBondContact OD1-CE 3.46Å
270W93.3Very high96.7Very high147 Ų14739 Ų3956%0.55718%0.182SC*.Hα-helixtrans-52.1-35.4174.4-70.4112.5000113.2C268 T272 K273 G359 V360 D361C268-W270 PolarHBondContact O-N 2.85Å; W270-T272 VanDerWaalsContact C-N 3.28Å; W270-T272 PolarHBondContact O-N 2.92Å; W270-K273 HydrophobicContact CE3-CD 4.29Å; W270-K273 HydrophobicContact CZ3-CD 4.21Å; W270-G359 VanDerWaalsContact CZ2-O 3.22Å; W270-G359 WeakPolarHBondContact CZ2-O 3.46Å; W270-V360 PolarHBondContact N-O 2.67Å; W270-D361 PolarHBondContact NE1-OD1 2.82Å; W270-D361 VanDerWaalsContact NE1-OD1 3.07Å
271K88.7Confident96.8Very high196 Ų19639.4 Ų39.485%0.85219%0.186SC*.Hα-helixtrans-66.8-27.6179.7-63-179.4-177.6175.80113.4D269D269-K271 PolarHBondContact O-N 3.2Å; D269-K271 VanDerWaalsContact O-N 3.1Å
272T90.7Very high96.8Very high6 Ų644 Ų444%0.03721%0.207CC..Hα-helixtrans-100.1-18.1-175-48.80000111.8S237 I241 D269 W270 E274 E275 L276S237-T272 WeakPolarHBondContact CB-OG1 3.4Å; I241-T272 HydrophobicContact CD1-CG2 3.24Å; I241-T272 HydrophobicContact CG1-CG2 3.99Å; D269-T272 PolarHBondContact O-N 2.92Å; W270-T272 VanDerWaalsContact C-N 3.28Å; W270-T272 PolarHBondContact O-N 2.92Å; T272-E274 PolarHBondContact O-N 3.13Å; T272-E275 PolarHBondContact O-N 2.8Å; T272-L276 HydrophobicContact CG2-CB 4.37Å; T272-L276 WeakPolarHBondContact O-CB 3.11Å; T272-L276 PolarHBondContact O-N 3.19Å
273K95.8Very high96.9Very high24 Ų2445 Ų4510%0.10421%0.211CC..Hα-helixtrans-54.9-48.9-170.7-177.5170.1171.6171.30113.4D269 W270 V277 S338 V357D269-K273 PolarHBondContact O-N 3.04Å; D269-K273 VanDerWaalsContact O-N 3.08Å; W270-K273 HydrophobicContact CE3-CD 4.29Å; W270-K273 HydrophobicContact CZ3-CD 4.21Å; K273-V277 WeakPolarHBondContact O-CB 3.44Å; K273-V277 VanDerWaalsContact O-CG2 3.22Å; K273-V277 WeakPolarHBondContact O-CG2 3.22Å; K273-V277 PolarHBondContact O-N 3.34Å; K273-S338 PolarHBondContact NZ-OG 2.96Å; K273-V357 HydrophobicContact CD-CG1 4.1Å; K273-V357 HydrophobicContact CG-CG1 3.88Å; K273-V357 PolarHBondContact NZ-O 2.86Å
274E96.6Very high96.9Very high153 Ų15345.5 Ų45.572%0.71521%0.214SC*.Hα-helixtrans-65.3-53.3-177.3-172.4173.9-174.300111.5T272 L276 V277 D278T272-E274 PolarHBondContact O-N 3.13Å; E274-L276 VanDerWaalsContact C-N 3.29Å; E274-L276 PolarHBondContact O-N 3.4Å; E274-V277 PolarHBondContact O-N 2.91Å; E274-V277 VanDerWaalsContact O-N 3.15Å; E274-D278 PolarHBondContact O-N 3.47Å
275E97.5Very high96.8Very high107 Ų10751.5 Ų51.550%0.524%0.236SC..Hα-helixtrans-57.4-41.7178.1-173.4-173.8-178.700112.2I241 T272 D278 C279I241-E275 HydrophobicContact CG2-CG 4.11Å; T272-E275 PolarHBondContact O-N 2.8Å; E275-D278 PolarHBondContact O-N 3.34Å; E275-C279 WeakPolarHBondContact O-CB 3.42Å; E275-C279 PolarHBondContact O-N 2.9Å; E275-C279 PolarHBondContact O-SG 3.3Å
276L98.4Very high96.8Very high0 Ų056.1 Ų56.10%026%0.261CS..Hα-helixtrans-65.4-43.7178.5-179.461.7000111.6V235 I241 A245 L266 C268 T272 E274 C279 M280V235-L276 HydrophobicContact CB-CD2 3.95Å; V235-L276 HydrophobicContact CG1-CD2 3.98Å; V235-L276 HydrophobicContact CG2-CD2 3.99Å; I241-L276 HydrophobicContact CG2-CB 4.08Å; I241-L276 HydrophobicContact CG2-CD1 3.95Å; A245-L276 HydrophobicContact CB-CD1 4.09Å; L266-L276 HydrophobicContact CD1-CD2 3.99Å; L266-L276 HydrophobicContact CD2-CD2 3.69Å; L266-L276 HydrophobicContact CG-CD2 4.49Å; C268-L276 HydrophobicContact CB-CD2 4.06Å; T272-L276 HydrophobicContact CG2-CB 4.37Å; T272-L276 WeakPolarHBondContact O-CB 3.11Å; T272-L276 PolarHBondContact O-N 3.19Å; E274-L276 VanDerWaalsContact C-N 3.29Å; E274-L276 PolarHBondContact O-N 3.4Å; L276-C279 PolarHBondContact O-N 3.16Å; L276-M280 HydrophobicContact CD1-CG 4.47Å; L276-M280 HydrophobicContact CG-CE 4.06Å; L276-M280 WeakPolarHBondContact O-CB 3.45Å; L276-M280 VanDerWaalsContact O-CG 3.27Å; L276-M280 WeakPolarHBondContact O-CG 3.24Å; L276-M280 PolarHBondContact O-N 3.07Å
277V98.6Very high96.6Very high9 Ų958.7 Ų58.76%0.05527%0.272CS..Hα-helixtrans-62.9-43.4176.91690000111.1K273 E274 M280 A281 I320 I321 V357K273-V277 WeakPolarHBondContact O-CB 3.44Å; K273-V277 VanDerWaalsContact O-CG2 3.22Å; K273-V277 WeakPolarHBondContact O-CG2 3.22Å; K273-V277 PolarHBondContact O-N 3.34Å; E274-V277 PolarHBondContact O-N 2.91Å; E274-V277 VanDerWaalsContact O-N 3.15Å; V277-M280 HydrophobicContact CG2-CE 4.04Å; V277-M280 PolarHBondContact O-N 3.31Å; V277-A281 WeakPolarHBondContact O-CB 3.4Å; V277-A281 PolarHBondContact O-N 2.63Å; V277-I320 HydrophobicContact CG1-CD1 4.4Å; V277-I320 HydrophobicContact CG1-CG2 3.89Å; V277-I321 HydrophobicContact CG1-CD1 3.84Å; V277-V357 HydrophobicContact CG2-CG1 4.25Å; V277-V357 HydrophobicContact CG2-CG2 4.26Å
278D98.4Very high96.4Very high101 Ų10159.6 Ų59.654%0.5428%0.276SS..Hα-helixtrans-62.8-44176.8-76.5-14000112E274 E275 M280 A281 H282E274-D278 PolarHBondContact O-N 3.47Å; E275-D278 PolarHBondContact O-N 3.34Å; D278-M280 VanDerWaalsContact C-N 3.34Å; D278-M280 PolarHBondContact O-N 3.26Å; D278-A281 WeakPolarHBondContact O-CB 3.3Å; D278-A281 PolarHBondContact O-N 2.93Å; D278-H282 PolarHBondContact O-N 2.64Å
279C98.6Very high96.3Very high24 Ų2461.3 Ų61.316%0.16229%0.293CS..Hα-helixtrans-62.1-41.5174.8-72.50000111.5I241 A245 E275 L276 H282 Q283I241-C279 HydrophobicContact CG2-CB 4.39Å; A245-C279 HydrophobicContact CB-CB 3.52Å; E275-C279 WeakPolarHBondContact O-CB 3.42Å; E275-C279 PolarHBondContact O-N 2.9Å; E275-C279 PolarHBondContact O-SG 3.3Å; L276-C279 PolarHBondContact O-N 3.16Å; C279-H282 PolarHBondContact O-N 2.97Å; C279-Q283 WeakPolarHBondContact O-CG 3.39Å; C279-Q283 PolarHBondContact O-N 3.16Å
280M98.7Very high96.5Very high0 Ų066.4 Ų66.40%032%0.321CS..Hα-helixtrans-64.9-42.2176-71.9-172.1-63.700111.6A245 I248 V249 L266 L276 V277 D278 H282 Q283 I284 I336 L355 V357A245-M280 HydrophobicContact CB-CG 3.7Å; I248-M280 HydrophobicContact CG2-SD 3.93Å; V249-M280 HydrophobicContact CG2-CB 3.71Å; V249-M280 HydrophobicContact CG2-CG 3.83Å; L266-M280 HydrophobicContact CD1-CE 4.21Å; L266-M280 HydrophobicContact CD1-SD 4.06Å; L276-M280 HydrophobicContact CD1-CG 4.47Å; L276-M280 HydrophobicContact CG-CE 4.06Å; L276-M280 WeakPolarHBondContact O-CB 3.45Å; L276-M280 VanDerWaalsContact O-CG 3.27Å; L276-M280 WeakPolarHBondContact O-CG 3.24Å; L276-M280 PolarHBondContact O-N 3.07Å; V277-M280 HydrophobicContact CG2-CE 4.04Å; V277-M280 PolarHBondContact O-N 3.31Å; D278-M280 VanDerWaalsContact C-N 3.34Å; D278-M280 PolarHBondContact O-N 3.26Å; M280-H282 VanDerWaalsContact C-N 3.29Å; M280-H282 PolarHBondContact O-N 2.9Å; M280-Q283 PolarHBondContact O-N 3.23Å; M280-Q283 VanDerWaalsContact O-N 3.16Å; M280-I284 WeakPolarHBondContact O-CG1 3.49Å; M280-I284 PolarHBondContact O-N 3.12Å; M280-I336 HydrophobicContact CB-CD1 3.71Å; M280-I336 HydrophobicContact CE-CD1 4.14Å; M280-I336 HydrophobicContact SD-CD1 4.47Å; M280-L355 HydrophobicContact SD-CD2 3.89Å; M280-V357 HydrophobicContact CE-CG2 4.07Å
281A98.5Very high96.6Very high21 Ų2162.2 Ų62.217%0.17431%0.309CS..Hα-helixtrans-56.8-44.8174.700000111.6V277 D278 I284 R285 I321V277-A281 WeakPolarHBondContact O-CB 3.4Å; V277-A281 PolarHBondContact O-N 2.63Å; D278-A281 WeakPolarHBondContact O-CB 3.3Å; D278-A281 PolarHBondContact O-N 2.93Å; A281-I284 PolarHBondContact O-N 3.4Å; A281-R285 PolarHBondContact O-N 3.14Å; A281-I321 HydrophobicContact CB-CD1 3.4Å; A281-I321 VanDerWaalsContact CB-CD1 3.4Å; A281-I321 HydrophobicContact CB-CG1 4.13Å
282H98.5Very high96.9Very high105 Ų10553.1 Ų53.149%0.48627%0.27SS..Hα-helixtrans-61.5-44.9176.2178.183.3000111.8D278 C279 M280 R285 N286D278-H282 PolarHBondContact O-N 2.64Å; C279-H282 PolarHBondContact O-N 2.97Å; M280-H282 VanDerWaalsContact C-N 3.29Å; M280-H282 PolarHBondContact O-N 2.9Å; H282-R285 PolarHBondContact O-N 3.02Å; H282-N286 WeakPolarHBondContact O-CB 3.28Å; H282-N286 PolarHBondContact O-N 3.26Å
283Q98.6Very high97.1Very high25 Ų2555.1 Ų55.112%0.11728%0.279CS..Hα-helixtrans-69.7-34.5179.9-64.2-59.7-29.900112.9K246 V249 C279 M280 R285 N286 F287K246-Q283 HydrophobicContact CB-CG 3.99Å; K246-Q283 HydrophobicContact CG-CG 4.39Å; V249-Q283 HydrophobicContact CB-CB 4.21Å; V249-Q283 HydrophobicContact CG1-CB 4.11Å; V249-Q283 HydrophobicContact CG2-CB 4.13Å; C279-Q283 WeakPolarHBondContact O-CG 3.39Å; C279-Q283 PolarHBondContact O-N 3.16Å; M280-Q283 PolarHBondContact O-N 3.23Å; M280-Q283 VanDerWaalsContact O-N 3.16Å; Q283-R285 PolarHBondContact O-N 2.72Å; Q283-N286 WeakPolarHBondContact O-CB 3.41Å; Q283-N286 PolarHBondContact O-N 3.38Å; Q283-N286 PolarHBondContact OE1-ND2 3.09Å; Q283-F287 WeakPolarHBondContact O-CG 3.28Å; Q283-F287 PolarHBondContact O-N 2.91Å
284I98.4Very high97Very high11 Ų1162.2 Ų62.26%0.05631%0.31CS..Hα-helixtrans-57.7-49.9171.9-71.1166.9000110V249 Y253 M280 A281 N286 F287 Y288 I321 P334 I336V249-I284 HydrophobicContact CG1-CG1 3.78Å; V249-I284 HydrophobicContact CG2-CG1 4.07Å; Y253-I284 HydrophobicContact CD2-CG1 4.13Å; Y253-I284 HydrophobicContact CE2-CD1 3.65Å; Y253-I284 HydrophobicContact CE2-CG1 3.7Å; M280-I284 WeakPolarHBondContact O-CG1 3.49Å; M280-I284 PolarHBondContact O-N 3.12Å; A281-I284 PolarHBondContact O-N 3.4Å; I284-N286 VanDerWaalsContact C-N 3.31Å; I284-N286 PolarHBondContact O-N 3.02Å; I284-F287 PolarHBondContact O-N 3.17Å; I284-Y288 HydrophobicContact CG2-CD2 4.39Å; I284-Y288 PolarHBondContact O-N 3.12Å; I284-I321 HydrophobicContact CD1-CG2 4.44Å; I284-P334 HydrophobicContact CD1-CB 4.24Å; I284-P334 HydrophobicContact CG1-CB 4.36Å; I284-P334 HydrophobicContact CG2-CB 3.76Å; I284-P334 HydrophobicContact CG2-CG 4.18Å; I284-I336 HydrophobicContact CD1-CD1 3.73Å; I284-I336 HydrophobicContact CD1-CG1 4.14Å
285R98Very high96.7Very high132 Ų13255.6 Ų55.650%0.49828%0.28SS..Hα-helixtrans-62.3-39.8176.7-172.9-173-65.9111.33.3111.7A281 H282 Q283 F287 G289 D290A281-R285 PolarHBondContact O-N 3.14Å; H282-R285 PolarHBondContact O-N 3.02Å; Q283-R285 PolarHBondContact O-N 2.72Å; R285-F287 VanDerWaalsContact C-N 3.34Å; R285-F287 PolarHBondContact O-N 3.36Å; R285-G289 WeakPolarHBondContact O-CA 3.3Å; R285-G289 PolarHBondContact O-N 3.31Å; R285-D290 WeakPolarHBondContact CD-OD1 3.27Å; R285-D290 WeakPolarHBondContact CG-OD1 3.23Å; R285-D290 IonicContact NE-OD1 3.27Å; R285-D290 PolarHBondContact NE-OD1 3.02Å; R285-D290 VanDerWaalsContact NE-OD1 3.12Å
286N97.3Very high96.2Very high100 Ų10053.8 Ų53.854%0.53528%0.278SS..Hα-helixtrans-63.7-38.2178.6-174.640.6000112.4H282 Q283 I284H282-N286 WeakPolarHBondContact O-CB 3.28Å; H282-N286 PolarHBondContact O-N 3.26Å; Q283-N286 WeakPolarHBondContact O-CB 3.41Å; Q283-N286 PolarHBondContact O-N 3.38Å; Q283-N286 PolarHBondContact OE1-ND2 3.09Å; I284-N286 VanDerWaalsContact C-N 3.31Å; I284-N286 PolarHBondContact O-N 3.02Å
287F95.1Very high95.6Very high54 Ų5457.3 Ų57.324%0.23730%0.297CS..Hα-helixtrans-80.7-39-179.2-68.9-5.1000113.3K246 V249 W250 Q283 I284 R285K246-F287 HydrophobicContact CG-CE1 4.28Å; K246-F287 HydrophobicContact CG-CZ 3.68Å; V249-F287 HydrophobicContact CB-CE2 4.41Å; V249-F287 HydrophobicContact CG1-CD2 3.7Å; V249-F287 HydrophobicContact CG1-CE2 3.83Å; W250-F287 HydrophobicContact CB-CE2 3.86Å; W250-F287 HydrophobicContact CB-CZ 4.47Å; Q283-F287 WeakPolarHBondContact O-CG 3.28Å; Q283-F287 PolarHBondContact O-N 2.91Å; I284-F287 PolarHBondContact O-N 3.17Å; R285-F287 VanDerWaalsContact C-N 3.34Å; R285-F287 PolarHBondContact O-N 3.36Å
288Y94.9Very high95.3Very high20 Ų2057.1 Ų57.18%0.07830%0.295CS..Hα-helixtrans-121.41.5-167.8-50.4-61.8000114.2Y253 I284 D297 Y298 P334Y253-Y288 WeakPolarHBondContact CB-OH 3.43Å; Y253-Y288 HydrophobicContact CG-CE2 4.44Å; I284-Y288 HydrophobicContact CG2-CD2 4.39Å; I284-Y288 PolarHBondContact O-N 3.12Å; Y288-D297 WeakPolarHBondContact CE1-O 3.1Å; Y288-Y298 HydrophobicContact CD1-CD2 4.04Å; Y288-Y298 HydrophobicContact CD1-CG 4.37Å; Y288-Y298 HydrophobicContact CD2-CD2 4.45Å; Y288-Y298 AromaticContact CE1-CD2 3.9Å; Y288-Y298 HydrophobicContact CE1-CD2 3.9Å; Y288-Y298 HydrophobicContact CE2-CD2 4.32Å; Y288-Y298 HydrophobicContact CG-CD2 4.31Å; Y288-P334 HydrophobicContact CD2-CG 4.07Å; Y288-P334 HydrophobicContact CE2-CG 4.39Å
289G95.7Very high95Very high35 Ų3552.5 Ų52.536%0.36127%0.271SS..  trans71.5-173.3-175.400000113.4R285 N291R285-G289 WeakPolarHBondContact O-CA 3.3Å; R285-G289 PolarHBondContact O-N 3.31Å; G289-N291 PolarHBondContact O-N 3.08Å
290D95.7Very high94.8Very high125 Ų12552.1 Ų52.167%0.66827%0.266SS*.SBendtrans-74-14.1179.7-63.1-53.5000113.8R285R285-D290 WeakPolarHBondContact CD-OD1 3.27Å; R285-D290 WeakPolarHBondContact CG-OD1 3.23Å; R285-D290 IonicContact NE-OD1 3.27Å; R285-D290 PolarHBondContact NE-OD1 3.02Å; R285-D290 VanDerWaalsContact NE-OD1 3.12Å
291N96Very high94.8Very high59 Ų5952.2 Ų52.232%0.31627%0.266SS..  trans-133.285.2175-173.6-12.8000109.9G289 Q293 K294G289-N291 PolarHBondContact O-N 3.08Å; N291-Q293 PolarHBondContact O-N 2.97Å; N291-Q293 VanDerWaalsContact O-N 3.1Å; N291-Q293 VanDerWaalsContact OD1-CB 3.27Å; N291-Q293 WeakPolarHBondContact OD1-CB 3.5Å; N291-Q293 PolarHBondContact OD1-N 2.99Å; N291-K294 PolarHBondContact O-N 2.67Å
292P95.3Very high94.7Very high4 Ų451.9 Ų51.93%0.02626%0.262CS..G310 helixtrans-55.4-27-179.6-28.637.1000114.2K294 S295 Y298 Y331 P334P292-K294 PolarHBondContact O-N 3.12Å; P292-S295 VanDerWaalsContact O-CB 3.27Å; P292-S295 WeakPolarHBondContact O-CB 3.45Å; P292-S295 PolarHBondContact O-N 3.01Å; P292-Y298 HydrophobicContact CB-CD1 4.37Å; P292-Y331 HydrophobicContact CB-CE2 4.42Å; P292-P334 HydrophobicContact CB-CG 4.17Å; P292-P334 HydrophobicContact CG-CG 4.3Å
293Q95.2Very high94.6Very high49 Ų4949 Ų4923%0.22925%0.25CS..G310 helixtrans-59.2-34.9175.5-165.6175.211.400112.4N291 S295 R300 D326 D329 Y331N291-Q293 PolarHBondContact O-N 2.97Å; N291-Q293 VanDerWaalsContact O-N 3.1Å; N291-Q293 VanDerWaalsContact OD1-CB 3.27Å; N291-Q293 WeakPolarHBondContact OD1-CB 3.5Å; N291-Q293 PolarHBondContact OD1-N 2.99Å; Q293-S295 VanDerWaalsContact C-N 3.34Å; Q293-R300 PolarHBondContact O-NH2 2.86Å; Q293-D326 PolarHBondContact NE2-OD2 3.08Å; Q293-D329 PolarHBondContact NE2-OD2 2.9Å; Q293-Y331 VanDerWaalsContact CA-CE2 3.4Å; Q293-Y331 HydrophobicContact CB-CD1 4.01Å; Q293-Y331 HydrophobicContact CB-CD2 3.86Å; Q293-Y331 HydrophobicContact CB-CE1 3.79Å; Q293-Y331 HydrophobicContact CB-CE2 3.62Å; Q293-Y331 HydrophobicContact CB-CG 4.04Å; Q293-Y331 HydrophobicContact CG-CD1 3.79Å; Q293-Y331 HydrophobicContact CG-CD2 3.81Å; Q293-Y331 HydrophobicContact CG-CE1 4.11Å; Q293-Y331 HydrophobicContact CG-CE2 4.12Å; Q293-Y331 HydrophobicContact CG-CG 3.63Å; Q293-Y331 PolarHBondContact N-OH 3.02Å
294K93.1Very high94.6Very high172 Ų17251 Ų5175%0.74827%0.267SS*.G310 helixtrans-86.3-4.8177.9-66.5-176177.6-177.20113.2N291 P292N291-K294 PolarHBondContact O-N 2.67Å; P292-K294 PolarHBondContact O-N 3.12Å
295S90.6Very high94.5Very high15 Ų1555.5 Ų55.511%0.10530%0.295CS..  trans-70.8129179-175.20000110.1P292 Q293 D297P292-S295 VanDerWaalsContact O-CB 3.27Å; P292-S295 WeakPolarHBondContact O-CB 3.45Å; P292-S295 PolarHBondContact O-N 3.01Å; Q293-S295 VanDerWaalsContact C-N 3.34Å; S295-D297 PolarHBondContact O-N 2.91Å; S295-D297 PolarHBondContact OG-N 3.33Å; S295-D297 VanDerWaalsContact OG-N 3.12Å
296P85.9Confident94.5Very high68 Ų6851.5 Ų51.544%0.44228%0.282SS..THydrogen-bonded Turntrans-68.7-15.1169.831.9-35.4000112V58V58-P296 HydrophobicContact CG2-CB 3.96Å
297D87.4Confident94.5Very high75 Ų7546.8 Ų46.840%0.40126%0.257SS..THydrogen-bonded Turntrans-94.87.8-175-59.9-57.2000113.2V56 Y288 S295V56-D297 HydrophobicContact CG2-CB 4.24Å; V56-D297 WeakPolarHBondContact CG2-O 3.38Å; Y288-D297 WeakPolarHBondContact CE1-O 3.1Å; S295-D297 PolarHBondContact O-N 2.91Å; S295-D297 PolarHBondContact OG-N 3.33Å; S295-D297 VanDerWaalsContact OG-N 3.12Å
298Y91.4Very high94.7Very high5 Ų546.6 Ų46.62%0.0226%0.258CS..  trans-122.5124.9-175.4-168.6-112.8000112.6C256 Y288 P292 R300 Y331 L332 P334 P353C256-Y298 PolarHBondContact SG-OH 3.25Å; C256-Y298 VanDerWaalsContact SG-OH 3.41Å; Y288-Y298 HydrophobicContact CD1-CD2 4.04Å; Y288-Y298 HydrophobicContact CD1-CG 4.37Å; Y288-Y298 HydrophobicContact CD2-CD2 4.45Å; Y288-Y298 AromaticContact CE1-CD2 3.9Å; Y288-Y298 HydrophobicContact CE1-CD2 3.9Å; Y288-Y298 HydrophobicContact CE2-CD2 4.32Å; Y288-Y298 HydrophobicContact CG-CD2 4.31Å; P292-Y298 HydrophobicContact CB-CD1 4.37Å; Y298-R300 PolarHBondContact O-NH1 2.84Å; Y298-Y331 HydrophobicContact CD1-CD2 4.15Å; Y298-Y331 AromaticContact CD1-CE2 3.88Å; Y298-Y331 HydrophobicContact CD1-CE2 3.88Å; Y298-Y331 AromaticContact CE1-CD2 3.9Å; Y298-Y331 HydrophobicContact CE1-CD2 3.9Å; Y298-Y331 AromaticContact CE1-CE2 3.61Å; Y298-Y331 HydrophobicContact CE1-CE2 3.61Å; Y298-L332 VanDerWaalsContact CE1-O 3.22Å; Y298-L332 WeakPolarHBondContact CE1-O 3.43Å; Y298-L332 PolarHBondContact OH-O 3.45Å; Y298-P334 HydrophobicContact CD2-CG 4.28Å; Y298-P334 HydrophobicContact CE1-CG 4.43Å; Y298-P334 HydrophobicContact CE2-CG 3.59Å; Y298-P334 WeakPolarHBondContact OH-CD 3.49Å; Y298-P353 WeakPolarHBondContact OH-CB 3.48Å; Y298-P353 WeakPolarHBondContact OH-CG 3.38Å
299G91.9Very high94.8Very high3 Ų349 Ų493%0.03127%0.267CS..  trans-74.7-171.3-176.200000114.9
300R95.2Very high95Very high17 Ų1747.4 Ų47.46%0.06425%0.25CS..  trans-128.6157.3175.8-65.1-59.3-177-86.41.4111.7L53 R54 Q258 Q293 Y298 D329 L330L53-R300 PolarHBondContact O-N 2.95Å; R54-R300 HydrophobicContact CB-CB 4.4Å; R54-R300 HydrophobicContact CB-CG 4.06Å; R54-R300 HydrophobicContact CG-CB 4.36Å; R54-R300 HydrophobicContact CG-CG 3.97Å; Q258-R300 PolarHBondContact NE2-O 3.21Å; Q293-R300 PolarHBondContact O-NH2 2.86Å; Y298-R300 PolarHBondContact O-NH1 2.84Å; R300-D329 WeakPolarHBondContact CD-O 3.5Å; R300-D329 WeakPolarHBondContact CG-O 3.4Å; R300-D329 IonicContact CZ-OD2 3.53Å; R300-D329 VanDerWaalsContact CZ-OD2 3.25Å; R300-D329 PolarHBondContact NE-O 3.16Å; R300-D329 IonicContact NE-OD1 3.15Å; R300-D329 IonicContact NE-OD2 2.93Å; R300-D329 PolarHBondContact NE-OD2 3.31Å; R300-D329 IonicContact NH2-OD2 2.94Å; R300-D329 PolarHBondContact NH2-OD2 3.48Å; R300-L330 HydrophobicContact CB-CB 4.22Å
301I97.7Very high95.1Very high1 Ų141.6 Ų41.61%0.00522%0.219CC..  trans-67.9138.9171.1-55.8-55.8000108.4Q258 N303 H306 L307 L310 L330 L332 P353Q258-I301 HydrophobicContact CG-CD1 4.48Å; I301-N303 VanDerWaalsContact C-N 3.26Å; I301-N303 PolarHBondContact O-N 3.31Å; I301-H306 HydrophobicContact CG2-CB 3.58Å; I301-L307 HydrophobicContact CB-CB 4.25Å; I301-L307 HydrophobicContact CG1-CD1 4.02Å; I301-L307 HydrophobicContact CG2-CB 4.04Å; I301-L310 HydrophobicContact CD1-CD1 3.5Å; I301-L310 VanDerWaalsContact CD1-CD1 3.5Å; I301-L310 HydrophobicContact CG1-CD1 3.96Å; I301-L310 HydrophobicContact CG2-CD1 4.23Å; I301-L330 PolarHBondContact N-O 2.85Å; I301-L330 WeakPolarHBondContact O-CB 3.31Å; I301-L330 WeakPolarHBondContact O-CD1 3.47Å; I301-L332 HydrophobicContact CG1-CB 4.19Å; I301-P353 HydrophobicContact CD1-CG 4.42Å
302V96.5Very high95.2Very high14 Ų1444.7 Ų44.79%0.08523%0.227CC..SBendtrans-59.5-33-169.569.20000114.2L53 W130 V158 H306L53-V302 HydrophobicContact CD2-CB 3.63Å; L53-V302 HydrophobicContact CD2-CG2 3.62Å; W130-V302 HydrophobicContact CD2-CB 4.42Å; W130-V302 HydrophobicContact CD2-CG1 4.23Å; W130-V302 HydrophobicContact CD2-CG2 4.15Å; W130-V302 HydrophobicContact CE3-CB 3.8Å; W130-V302 HydrophobicContact CE3-CG1 3.99Å; W130-V302 HydrophobicContact CE3-CG2 3.71Å; W130-V302 HydrophobicContact CH2-CB 3.96Å; W130-V302 HydrophobicContact CH2-CG1 3.52Å; W130-V302 HydrophobicContact CZ2-CG1 3.78Å; W130-V302 HydrophobicContact CZ3-CB 3.56Å; W130-V302 HydrophobicContact CZ3-CG1 3.66Å; W130-V302 HydrophobicContact CZ3-CG2 4.03Å; V158-V302 HydrophobicContact CG1-CG1 4.19Å; V158-V302 HydrophobicContact CG1-CG2 3.57Å; V302-H306 HydrophobicContact CG1-CB 4.28Å
303N96.9Very high95.4Very high44 Ų4445.5 Ų45.524%0.23523%0.23CC..SBendtrans-161171.7177.360.544.5000112.5I301 V305 H306 L307I301-N303 VanDerWaalsContact C-N 3.26Å; I301-N303 PolarHBondContact O-N 3.31Å; N303-V305 VanDerWaalsContact C-N 3.34Å; N303-V305 PolarHBondContact O-N 2.76Å; N303-V305 PolarHBondContact OD1-N 3.2Å; N303-H306 PolarHBondContact O-N 2.85Å; N303-H306 PolarHBondContact OD1-N 3.28Å; N303-H306 PolarHBondContact OD1-ND1 2.97Å; N303-L307 PolarHBondContact O-N 3.01Å
304S97.7Very high95.5Very high68 Ų6843.9 Ų43.948%0.47622%0.223SC..Hα-helixtrans-61.8-36.9-178.653.40000113.4H306 L307 D308S304-H306 PolarHBondContact O-N 2.88Å; S304-L307 PolarHBondContact O-N 3.17Å; S304-D308 WeakPolarHBondContact O-CB 3.4Å; S304-D308 PolarHBondContact O-N 3.3Å
305V97.4Very high95.7Very high105 Ų10542.4 Ų42.464%0.63622%0.219SC*.Hα-helixtrans-61.1-44.9178.9177.20000111.1N303 R309N303-V305 VanDerWaalsContact C-N 3.34Å; N303-V305 PolarHBondContact O-N 2.76Å; N303-V305 PolarHBondContact OD1-N 3.2Å; V305-R309 PolarHBondContact O-N 3.32Å
306H97.1Very high96Very high48 Ų4848 Ų4822%0.22224%0.241CC..Hα-helixtrans-68.6-40.7176.3-73.578.2000111.4W130 I301 V302 N303 S304 R309 L310W130-H306 AromaticContact CZ2-CD2 3.97Å; W130-H306 AromaticContact CZ2-NE2 3.7Å; I301-H306 HydrophobicContact CG2-CB 3.58Å; V302-H306 HydrophobicContact CG1-CB 4.28Å; N303-H306 PolarHBondContact O-N 2.85Å; N303-H306 PolarHBondContact OD1-N 3.28Å; N303-H306 PolarHBondContact OD1-ND1 2.97Å; S304-H306 PolarHBondContact O-N 2.88Å; H306-R309 PolarHBondContact O-N 2.84Å; H306-L310 WeakPolarHBondContact O-CG 3.26Å; H306-L310 PolarHBondContact O-N 3.28Å; H306-L310 VanDerWaalsContact O-N 3.12Å
307L98.6Very high96.6Very high1 Ų145.8 Ų45.81%0.00523%0.227CC..Hα-helixtrans-61.9-47.6177.9178.260.8000111.6I301 N303 S304 R309 L310 I311 R327 L330 L332I301-L307 HydrophobicContact CB-CB 4.25Å; I301-L307 HydrophobicContact CG1-CD1 4.02Å; I301-L307 HydrophobicContact CG2-CB 4.04Å; N303-L307 PolarHBondContact O-N 3.01Å; S304-L307 PolarHBondContact O-N 3.17Å; L307-R309 VanDerWaalsContact C-N 3.27Å; L307-R309 PolarHBondContact O-N 3.15Å; L307-L310 WeakPolarHBondContact O-CB 3.26Å; L307-L310 PolarHBondContact O-N 3.42Å; L307-I311 HydrophobicContact CD1-CD1 4.07Å; L307-I311 HydrophobicContact CD1-CG1 4.19Å; L307-I311 HydrophobicContact CD2-CD1 4.43Å; L307-I311 HydrophobicContact CG-CD1 3.81Å; L307-I311 HydrophobicContact CG-CG1 4.36Å; L307-I311 WeakPolarHBondContact O-CG1 3.4Å; L307-I311 PolarHBondContact O-N 2.84Å; L307-R327 HydrophobicContact CD2-CB 4.49Å; L307-R327 HydrophobicContact CD2-CG 4.2Å; L307-L330 HydrophobicContact CD2-CD2 4.37Å; L307-L332 HydrophobicContact CD1-CB 3.87Å
308D98.5Very high97.1Very high50 Ų5047.4 Ų47.427%0.26724%0.236SC..Hα-helixtrans-63.9-33.2179.9-74.7-32.8000112S304 R312 R327S304-D308 WeakPolarHBondContact O-CB 3.4Å; S304-D308 PolarHBondContact O-N 3.3Å; D308-R312 WeakPolarHBondContact O-CG 3.24Å; D308-R312 PolarHBondContact O-N 3Å; D308-R312 VanDerWaalsContact O-N 3.13Å; D308-R312 PolarHBondContact O-NH1 2.91Å; D308-R327 IonicContact OD1-CZ 3.38Å; D308-R327 IonicContact OD1-NE 2.76Å; D308-R327 PolarHBondContact OD1-NE 2.78Å; D308-R327 IonicContact OD1-NH2 2.68Å; D308-R327 PolarHBondContact OD1-NH2 3.45Å
309R98.1Very high97.4Very high71 Ų7149.7 Ų49.727%0.26825%0.25SS..Hα-helixtrans-62.6-44.8171.5-174.5-17364.291.44.2111.4V305 H306 L307 R312 L313 E349 I350V305-R309 PolarHBondContact O-N 3.32Å; H306-R309 PolarHBondContact O-N 2.84Å; L307-R309 VanDerWaalsContact C-N 3.27Å; L307-R309 PolarHBondContact O-N 3.15Å; R309-R312 PolarHBondContact O-N 3.05Å; R309-L313 PolarHBondContact O-N 3.44Å; R309-E349 PolarHBondContact NH1-O 3.28Å; R309-I350 PolarHBondContact NH1-O 2.69Å; R309-I350 PolarHBondContact NH2-O 2.92Å
310L98.6Very high97.7Very high1 Ų153.2 Ų53.21%0.00527%0.268CS..Hα-helixtrans-66.7-41.1179.7-67.3167.4000111.9I301 H306 L307 R312 L313 I314 L332 I350 I354I301-L310 HydrophobicContact CD1-CD1 3.5Å; I301-L310 VanDerWaalsContact CD1-CD1 3.5Å; I301-L310 HydrophobicContact CG1-CD1 3.96Å; I301-L310 HydrophobicContact CG2-CD1 4.23Å; H306-L310 WeakPolarHBondContact O-CG 3.26Å; H306-L310 PolarHBondContact O-N 3.28Å; H306-L310 VanDerWaalsContact O-N 3.12Å; L307-L310 WeakPolarHBondContact O-CB 3.26Å; L307-L310 PolarHBondContact O-N 3.42Å; L310-R312 VanDerWaalsContact C-N 3.34Å; L310-R312 PolarHBondContact O-N 3.47Å; L310-L313 WeakPolarHBondContact O-CB 3.46Å; L310-L313 PolarHBondContact O-N 3.28Å; L310-L313 VanDerWaalsContact O-N 3.16Å; L310-I314 WeakPolarHBondContact O-CG1 3.41Å; L310-I314 PolarHBondContact O-N 3.41Å; L310-I314 VanDerWaalsContact O-N 3.07Å; L310-L332 HydrophobicContact CB-CD2 3.66Å; L310-L332 HydrophobicContact CD1-CD2 3.95Å; L310-L332 HydrophobicContact CG-CD2 4.35Å; L310-I350 HydrophobicContact CD2-CG2 3.91Å; L310-I350 VanDerWaalsContact CD2-O 3.31Å; L310-I350 WeakPolarHBondContact CD2-O 3.46Å; L310-I354 HydrophobicContact CB-CD1 4.13Å; L310-I354 HydrophobicContact CD2-CD1 3.88Å
311I98.5Very high97.8Very high3 Ų354.3 Ų54.32%0.01528%0.275CS..Hα-helixtrans-59.1-45.6175.6-67.5168.7000110.5L307 L313 I314 E315 H325 R327L307-I311 HydrophobicContact CD1-CD1 4.07Å; L307-I311 HydrophobicContact CD1-CG1 4.19Å; L307-I311 HydrophobicContact CD2-CD1 4.43Å; L307-I311 HydrophobicContact CG-CD1 3.81Å; L307-I311 HydrophobicContact CG-CG1 4.36Å; L307-I311 WeakPolarHBondContact O-CG1 3.4Å; L307-I311 PolarHBondContact O-N 2.84Å; I311-L313 VanDerWaalsContact C-N 3.27Å; I311-L313 PolarHBondContact O-N 3.34Å; I311-I314 WeakPolarHBondContact O-CB 3.5Å; I311-I314 PolarHBondContact O-N 3.22Å; I311-E315 HydrophobicContact CG2-CG 4.31Å; I311-E315 WeakPolarHBondContact O-CG 3.37Å; I311-E315 PolarHBondContact O-N 3.04Å; I311-H325 HydrophobicContact CD1-CB 4.17Å; I311-H325 HydrophobicContact CG1-CB 4.25Å; I311-R327 HydrophobicContact CD1-CG 4.44Å
312R98.3Very high97.8Very high125 Ų12555.6 Ų55.647%0.47229%0.288SS..Hα-helixtrans-59.8-34.7176.6-74.1-171.6-60.6-89.35.4113.4D308 R309 L310D308-R312 WeakPolarHBondContact O-CG 3.24Å; D308-R312 PolarHBondContact O-N 3Å; D308-R312 VanDerWaalsContact O-N 3.13Å; D308-R312 PolarHBondContact O-NH1 2.91Å; R309-R312 PolarHBondContact O-N 3.05Å; L310-R312 VanDerWaalsContact C-N 3.34Å; L310-R312 PolarHBondContact O-N 3.47Å
313L98.1Very high97.9Very high20 Ų2055.8 Ų55.811%0.10529%0.293CS..Hα-helixtrans-68.1-40.1174.5-69.2175000111.2R309 L310 I311 K316 S317 E344 I345R309-L313 PolarHBondContact O-N 3.44Å; L310-L313 WeakPolarHBondContact O-CB 3.46Å; L310-L313 PolarHBondContact O-N 3.28Å; L310-L313 VanDerWaalsContact O-N 3.16Å; I311-L313 VanDerWaalsContact C-N 3.27Å; I311-L313 PolarHBondContact O-N 3.34Å; L313-K316 PolarHBondContact O-N 3.3Å; L313-S317 WeakPolarHBondContact O-CB 3.26Å; L313-S317 PolarHBondContact O-N 2.94Å; L313-S317 PolarHBondContact O-OG 2.93Å; L313-E344 HydrophobicContact CD2-CG 4.08Å; L313-I345 HydrophobicContact CB-CD1 4.36Å; L313-I345 HydrophobicContact CB-CG1 4.44Å
314I97.9Very high97.9Very high15 Ų1560.5 Ų60.58%0.07731%0.307CS..Hα-helixtrans-65.6-44.3177.9-69.4173.5000111.6L310 I311 K316 S317 V319 L332 T335 I354L310-I314 WeakPolarHBondContact O-CG1 3.41Å; L310-I314 PolarHBondContact O-N 3.41Å; L310-I314 VanDerWaalsContact O-N 3.07Å; I311-I314 WeakPolarHBondContact O-CB 3.5Å; I311-I314 PolarHBondContact O-N 3.22Å; I314-K316 PolarHBondContact O-N 2.87Å; I314-K316 VanDerWaalsContact O-N 3.12Å; I314-S317 PolarHBondContact O-N 3.3Å; I314-V319 HydrophobicContact CG2-CG2 3.73Å; I314-L332 HydrophobicContact CD1-CD1 3.52Å; I314-L332 HydrophobicContact CD1-CD2 4.04Å; I314-L332 HydrophobicContact CD1-CG 4.26Å; I314-T335 HydrophobicContact CD1-CG2 4.37Å; I314-I354 HydrophobicContact CD1-CD1 3.75Å; I314-I354 HydrophobicContact CD1-CG1 3.97Å; I314-I354 HydrophobicContact CG1-CD1 3.53Å; I314-I354 HydrophobicContact CG1-CG1 4.05Å
315E97.5Very high98Very high141 Ų14160.6 Ų60.666%0.65930%0.3SS*.Hα-helixtrans-57.6-27.4179.6-73.3172.8167.800113.1I311I311-E315 HydrophobicContact CG2-CG 4.31Å; I311-E315 WeakPolarHBondContact O-CG 3.37Å; I311-E315 PolarHBondContact O-N 3.04Å
316K96.9Very high98Very high132 Ų13258.1 Ų58.157%0.57428%0.283SS*.THydrogen-bonded Turntrans-95.9-0.8177.6-62.9177.6-178.7176.60113.7L313 I314 E344L313-K316 PolarHBondContact O-N 3.3Å; I314-K316 PolarHBondContact O-N 2.87Å; I314-K316 VanDerWaalsContact O-N 3.12Å; K316-E344 WeakPolarHBondContact CD-OE2 3.41Å; K316-E344 WeakPolarHBondContact CE-OE2 3.17Å; K316-E344 IonicContact NZ-OE1 3.4Å; K316-E344 PolarHBondContact NZ-OE1 3.1Å; K316-E344 IonicContact NZ-OE2 3.1Å; K316-E344 PolarHBondContact NZ-OE2 3.27Å
317S97.7Very high98Very high22 Ų2261.9 Ų61.915%0.15430%0.296CS..SBendtrans-107153.6-174.4-64.20000112L313 I314 V319L313-S317 WeakPolarHBondContact O-CB 3.26Å; L313-S317 PolarHBondContact O-N 2.94Å; L313-S317 PolarHBondContact O-OG 2.93Å; I314-S317 PolarHBondContact O-N 3.3Å; S317-V319 PolarHBondContact O-N 3.38Å
318N97.8Very high97.9Very high109 Ų10969.5 Ų69.558%0.58334%0.336SS*.EExtended strand (participates in β ladder)trans-84.694.2171.2-176.810.3000110.4V337 S338N318-V337 CarbonylContact O-C 3.53Å; N318-V337 VanDerWaalsContact O-CA 3.26Å; N318-V337 WeakPolarHBondContact O-CA 2.99Å; N318-V337 WeakPolarHBondContact O-CB 3.34Å; N318-S338 PolarHBondContact O-N 2.83Å
319V98.5Very high97.8Very high53 Ų5368.5 Ų68.532%0.32133%0.331SS..EExtended strand (participates in β ladder)trans-71.8125.5-177.5-177.70000111.4I314 S317 T335 V337I314-V319 HydrophobicContact CG2-CG2 3.73Å; S317-V319 PolarHBondContact O-N 3.38Å; V319-T335 HydrophobicContact CG1-CG2 4.17Å; V319-V337 HydrophobicContact CG2-CG1 4.18Å
320I98Very high97.8Very high78 Ų7867.4 Ų67.440%0.433%0.33SS..EExtended strand (participates in β ladder)trans-95.8-46.5173.5-55.1162.4000110.2V277 I336V277-I320 HydrophobicContact CG1-CD1 4.4Å; V277-I320 HydrophobicContact CG1-CG2 3.89Å; I320-I336 HydrophobicContact CD1-CG2 4.26Å; I320-I336 PolarHBondContact N-O 3.07Å
321I97.7Very high97.7Very high39 Ų3967.6 Ų67.620%0.233%0.331CS..EExtended strand (participates in β ladder)trans-134.5140.9-179.1-65.4143.2000108.2V277 A281 I284 T335 I336V277-I321 HydrophobicContact CG1-CD1 3.84Å; A281-I321 HydrophobicContact CB-CD1 3.4Å; A281-I321 VanDerWaalsContact CB-CD1 3.4Å; A281-I321 HydrophobicContact CB-CG1 4.13Å; I284-I321 HydrophobicContact CD1-CG2 4.44Å; I321-T335 CarbonylContact O-C 3.55Å; I321-T335 VanDerWaalsContact O-CA 3.27Å; I321-T335 WeakPolarHBondContact O-CA 3.41Å; I321-T335 WeakPolarHBondContact O-CG2 3.16Å; I321-I336 HydrophobicContact CB-CB 4.23Å; I321-I336 HydrophobicContact CD1-CB 4.22Å; I321-I336 HydrophobicContact CD1-CD1 3.79Å; I321-I336 HydrophobicContact CD1-CG1 4.4Å; I321-I336 PolarHBondContact N-O 3.01Å; I321-I336 VanDerWaalsContact N-O 3.16Å; I321-I336 PolarHBondContact O-N 3.22Å
322G98.1Very high97.7Very high29 Ų2967.4 Ų67.430%0.29933%0.33SS..  trans85.2-137.7172.700000113.5R324 E333G322-R324 VanDerWaalsContact C-N 3.35Å; G322-E333 VanDerWaalsContact CA-OE2 3.32Å; G322-E333 WeakPolarHBondContact CA-OE2 3.28Å
323G97.4Very high97.7Very high17 Ų1762.3 Ų62.318%0.17531%0.312CS..  trans87.5-9178.900000115.3T335G323-T335 PolarHBondContact N-OG1 2.96Å
324R98.1Very high97.8Very high143 Ų14361.4 Ų61.454%0.5431%0.307SS..  trans-74.1145.5174.4-59.5-178.4-70.4-171.81.7110.6G322 E333G322-R324 VanDerWaalsContact C-N 3.35Å; R324-E333 HydrophobicContact CB-CB 4.33Å; R324-E333 WeakPolarHBondContact CB-OE2 3.13Å; R324-E333 VanDerWaalsContact CG-OE2 3.27Å; R324-E333 WeakPolarHBondContact CG-OE2 3.42Å; R324-E333 IonicContact CZ-OE1 3.82Å; R324-E333 IonicContact CZ-OE2 2.62Å; R324-E333 PolarHBondContact N-OE2 3.49Å; R324-E333 IonicContact NE-OE1 3.64Å; R324-E333 PolarHBondContact NE-OE1 2.94Å; R324-E333 IonicContact NE-OE2 2.77Å; R324-E333 PolarHBondContact NE-OE2 3.26Å; R324-E333 IonicContact NH2-OE1 2.88Å; R324-E333 PolarHBondContact NH2-OE1 3.43Å; R324-E333 IonicContact NH2-OE2 2.89Å; R324-E333 VanDerWaalsContact O-CB 3.22Å; R324-E333 WeakPolarHBondContact O-CB 3.26Å; R324-E333 PolarHBondContact O-N 3.07Å
325H98.3Very high97.8Very high70 Ų7060.7 Ų60.732%0.32430%0.303SS..EExtended strand (participates in β ladder)trans-144.5158178.761.772000110.8I311 Y331 L332I311-H325 HydrophobicContact CD1-CB 4.17Å; I311-H325 HydrophobicContact CG1-CB 4.25Å; H325-Y331 CarbonylContact C-O 3.44Å; H325-Y331 VanDerWaalsContact CA-O 3.27Å; H325-Y331 WeakPolarHBondContact CA-O 3.36Å; H325-Y331 WeakPolarHBondContact CB-O 3.09Å; H325-L332 HydrophobicContact CB-CD1 3.76Å
326D98.2Very high97.9Very high53 Ų5354 Ų5428%0.28327%0.272SS..EExtended strand (participates in β ladder)trans-138.6113.3174.4179.2-9.1000108.3Q293 D328 D329 L330 Y331Q293-D326 PolarHBondContact NE2-OD2 3.08Å; D326-D328 VanDerWaalsContact C-N 3.35Å; D326-D328 PolarHBondContact OD1-N 2.57Å; D326-D329 HydrophobicContact CB-CB 4.21Å; D326-D329 PolarHBondContact O-N 3.04Å; D326-D329 PolarHBondContact OD1-N 3.26Å; D326-L330 PolarHBondContact O-N 3.35Å; D326-L330 VanDerWaalsContact O-N 3.15Å; D326-Y331 HydrophobicContact CB-CD1 4.15Å; D326-Y331 PolarHBondContact N-O 3.45Å; D326-Y331 PolarHBondContact O-N 3.35Å
327R97.2Very high98Very high127 Ų12747.7 Ų47.748%0.47925%0.245SC..THydrogen-bonded Turntrans-69.5-34.5-175.2-73-171.4173.290.72.1112.1L307 D308 I311 D329 L330L307-R327 HydrophobicContact CD2-CB 4.49Å; L307-R327 HydrophobicContact CD2-CG 4.2Å; D308-R327 IonicContact OD1-CZ 3.38Å; D308-R327 IonicContact OD1-NE 2.76Å; D308-R327 PolarHBondContact OD1-NE 2.78Å; D308-R327 IonicContact OD1-NH2 2.68Å; D308-R327 PolarHBondContact OD1-NH2 3.45Å; I311-R327 HydrophobicContact CD1-CG 4.44Å; R327-D329 VanDerWaalsContact C-N 3.25Å; R327-D329 PolarHBondContact O-N 3.1Å; R327-L330 PolarHBondContact O-N 3.39Å
328D96.9Very high98Very high161 Ų16148.3 Ų48.386%0.86125%0.249SC*.THydrogen-bonded Turntrans-72-28.5-177.6-64.8-24.4000110.8D326D326-D328 VanDerWaalsContact C-N 3.35Å; D326-D328 PolarHBondContact OD1-N 2.57Å
329D96.1Very high98Very high30 Ų3043.4 Ų43.416%0.1622%0.224CC..THydrogen-bonded Turntrans-95.7-0.5177.7-163.237000114R54 Q293 R300 D326 R327 Y331R54-D329 IonicContact CZ-OD1 2.95Å; R54-D329 IonicContact NH1-OD1 3.44Å; R54-D329 PolarHBondContact NH1-OD1 3.45Å; R54-D329 IonicContact NH1-OD2 2.63Å; R54-D329 IonicContact NH2-OD1 2.72Å; R54-D329 PolarHBondContact NH2-OD1 2.97Å; Q293-D329 PolarHBondContact NE2-OD2 2.9Å; R300-D329 WeakPolarHBondContact CD-O 3.5Å; R300-D329 WeakPolarHBondContact CG-O 3.4Å; R300-D329 IonicContact CZ-OD2 3.53Å; R300-D329 VanDerWaalsContact CZ-OD2 3.25Å; R300-D329 PolarHBondContact NE-O 3.16Å; R300-D329 IonicContact NE-OD1 3.15Å; R300-D329 IonicContact NE-OD2 2.93Å; R300-D329 PolarHBondContact NE-OD2 3.31Å; R300-D329 IonicContact NH2-OD2 2.94Å; R300-D329 PolarHBondContact NH2-OD2 3.48Å; D326-D329 HydrophobicContact CB-CB 4.21Å; D326-D329 PolarHBondContact O-N 3.04Å; D326-D329 PolarHBondContact OD1-N 3.26Å; R327-D329 VanDerWaalsContact C-N 3.25Å; R327-D329 PolarHBondContact O-N 3.1Å; D329-Y331 PolarHBondContact O-N 3.03Å; D329-Y331 VanDerWaalsContact O-N 3.17Å
330L97.7Very high97.9Very high48 Ų4844.2 Ų44.225%0.25123%0.229SC..THydrogen-bonded Turntrans50.731.4-168.8-61.2175.3000113.2R300 I301 L307 D326 R327R300-L330 HydrophobicContact CB-CB 4.22Å; I301-L330 PolarHBondContact N-O 2.85Å; I301-L330 WeakPolarHBondContact O-CB 3.31Å; I301-L330 WeakPolarHBondContact O-CD1 3.47Å; L307-L330 HydrophobicContact CD2-CD2 4.37Å; D326-L330 PolarHBondContact O-N 3.35Å; D326-L330 VanDerWaalsContact O-N 3.15Å; R327-L330 PolarHBondContact O-N 3.39Å
331Y97.8Very high97.8Very high4 Ų443.6 Ų43.62%0.01623%0.226CC..EExtended strand (participates in β ladder)trans-93.7137-174166.2-103.8000111P292 Q293 Y298 H325 D326 D329 E333P292-Y331 HydrophobicContact CB-CE2 4.42Å; Q293-Y331 VanDerWaalsContact CA-CE2 3.4Å; Q293-Y331 HydrophobicContact CB-CD1 4.01Å; Q293-Y331 HydrophobicContact CB-CD2 3.86Å; Q293-Y331 HydrophobicContact CB-CE1 3.79Å; Q293-Y331 HydrophobicContact CB-CE2 3.62Å; Q293-Y331 HydrophobicContact CB-CG 4.04Å; Q293-Y331 HydrophobicContact CG-CD1 3.79Å; Q293-Y331 HydrophobicContact CG-CD2 3.81Å; Q293-Y331 HydrophobicContact CG-CE1 4.11Å; Q293-Y331 HydrophobicContact CG-CE2 4.12Å; Q293-Y331 HydrophobicContact CG-CG 3.63Å; Q293-Y331 PolarHBondContact N-OH 3.02Å; Y298-Y331 HydrophobicContact CD1-CD2 4.15Å; Y298-Y331 AromaticContact CD1-CE2 3.88Å; Y298-Y331 HydrophobicContact CD1-CE2 3.88Å; Y298-Y331 AromaticContact CE1-CD2 3.9Å; Y298-Y331 HydrophobicContact CE1-CD2 3.9Å; Y298-Y331 AromaticContact CE1-CE2 3.61Å; Y298-Y331 HydrophobicContact CE1-CE2 3.61Å; H325-Y331 CarbonylContact C-O 3.44Å; H325-Y331 VanDerWaalsContact CA-O 3.27Å; H325-Y331 WeakPolarHBondContact CA-O 3.36Å; H325-Y331 WeakPolarHBondContact CB-O 3.09Å; D326-Y331 HydrophobicContact CB-CD1 4.15Å; D326-Y331 PolarHBondContact N-O 3.45Å; D326-Y331 PolarHBondContact O-N 3.35Å; D329-Y331 PolarHBondContact O-N 3.03Å; D329-Y331 VanDerWaalsContact O-N 3.17Å; Y331-E333 HydrophobicContact CE1-CB 4.2Å; Y331-E333 WeakPolarHBondContact OH-CA 3.23Å; Y331-E333 VanDerWaalsContact OH-CB 3.28Å; Y331-E333 WeakPolarHBondContact OH-CB 3.42Å; Y331-E333 WeakPolarHBondContact OH-CG 3.26Å
332L98.4Very high97.7Very high0 Ų046.5 Ų46.50%025%0.249CC..EExtended strand (participates in β ladder)trans-135.3127.4166.4-179.259.8000108.9Y298 I301 L307 L310 I314 H325 P353 I354Y298-L332 VanDerWaalsContact CE1-O 3.22Å; Y298-L332 WeakPolarHBondContact CE1-O 3.43Å; Y298-L332 PolarHBondContact OH-O 3.45Å; I301-L332 HydrophobicContact CG1-CB 4.19Å; L307-L332 HydrophobicContact CD1-CB 3.87Å; L310-L332 HydrophobicContact CB-CD2 3.66Å; L310-L332 HydrophobicContact CD1-CD2 3.95Å; L310-L332 HydrophobicContact CG-CD2 4.35Å; I314-L332 HydrophobicContact CD1-CD1 3.52Å; I314-L332 HydrophobicContact CD1-CD2 4.04Å; I314-L332 HydrophobicContact CD1-CG 4.26Å; H325-L332 HydrophobicContact CB-CD1 3.76Å; L332-P353 HydrophobicContact CB-CG 4.04Å; L332-P353 HydrophobicContact CD2-CG 3.82Å; L332-P353 HydrophobicContact CG-CG 3.86Å; L332-I354 HydrophobicContact CD2-CD1 4.28Å; L332-I354 HydrophobicContact CD2-CG1 4.23Å
333E98.4Very high97.6Very high18 Ų1847.6 Ų47.68%0.08425%0.248CC..  trans-64.7144.7-178.2-171.8165.7-143.300112.1G322 R324 Y331 T335G322-E333 VanDerWaalsContact CA-OE2 3.32Å; G322-E333 WeakPolarHBondContact CA-OE2 3.28Å; R324-E333 HydrophobicContact CB-CB 4.33Å; R324-E333 WeakPolarHBondContact CB-OE2 3.13Å; R324-E333 VanDerWaalsContact CG-OE2 3.27Å; R324-E333 WeakPolarHBondContact CG-OE2 3.42Å; R324-E333 IonicContact CZ-OE1 3.82Å; R324-E333 IonicContact CZ-OE2 2.62Å; R324-E333 PolarHBondContact N-OE2 3.49Å; R324-E333 IonicContact NE-OE1 3.64Å; R324-E333 PolarHBondContact NE-OE1 2.94Å; R324-E333 IonicContact NE-OE2 2.77Å; R324-E333 PolarHBondContact NE-OE2 3.26Å; R324-E333 IonicContact NH2-OE1 2.88Å; R324-E333 PolarHBondContact NH2-OE1 3.43Å; R324-E333 IonicContact NH2-OE2 2.89Å; R324-E333 VanDerWaalsContact O-CB 3.22Å; R324-E333 WeakPolarHBondContact O-CB 3.26Å; R324-E333 PolarHBondContact O-N 3.07Å; Y331-E333 HydrophobicContact CE1-CB 4.2Å; Y331-E333 WeakPolarHBondContact OH-CA 3.23Å; Y331-E333 VanDerWaalsContact OH-CB 3.28Å; Y331-E333 WeakPolarHBondContact OH-CB 3.42Å; Y331-E333 WeakPolarHBondContact OH-CG 3.26Å; E333-T335 PolarHBondContact O-N 3.35Å; E333-T335 PolarHBondContact O-OG1 3.07Å
334P98.7Very high97.6Very high1 Ų151.5 Ų51.51%0.00626%0.262CS..  trans-50.3112.8166.2-28.737000110.6Y253 I284 Y288 P292 Y298Y253-P334 HydrophobicContact CD1-CB 3.66Å; Y253-P334 HydrophobicContact CD1-CG 4.27Å; Y253-P334 HydrophobicContact CD2-CB 4.36Å; Y253-P334 HydrophobicContact CE1-CB 3.59Å; Y253-P334 HydrophobicContact CE2-CB 4.33Å; Y253-P334 HydrophobicContact CG-CB 4.07Å; I284-P334 HydrophobicContact CD1-CB 4.24Å; I284-P334 HydrophobicContact CG1-CB 4.36Å; I284-P334 HydrophobicContact CG2-CB 3.76Å; I284-P334 HydrophobicContact CG2-CG 4.18Å; Y288-P334 HydrophobicContact CD2-CG 4.07Å; Y288-P334 HydrophobicContact CE2-CG 4.39Å; P292-P334 HydrophobicContact CB-CG 4.17Å; P292-P334 HydrophobicContact CG-CG 4.3Å; Y298-P334 HydrophobicContact CD2-CG 4.28Å; Y298-P334 HydrophobicContact CE1-CG 4.43Å; Y298-P334 HydrophobicContact CE2-CG 3.59Å; Y298-P334 WeakPolarHBondContact OH-CD 3.49Å
335T98.8Very high97.5Very high0 Ų044.9 Ų44.90%024%0.237CC..EExtended strand (participates in β ladder)trans-117.5137.2-169.4-59.90000110.4Y253 I314 V319 I321 G323 E333 V337 P353 I354 L355Y253-T335 PolarHBondContact OH-O 2.94Å; I314-T335 HydrophobicContact CD1-CG2 4.37Å; V319-T335 HydrophobicContact CG1-CG2 4.17Å; I321-T335 CarbonylContact O-C 3.55Å; I321-T335 VanDerWaalsContact O-CA 3.27Å; I321-T335 WeakPolarHBondContact O-CA 3.41Å; I321-T335 WeakPolarHBondContact O-CG2 3.16Å; G323-T335 PolarHBondContact N-OG1 2.96Å; E333-T335 PolarHBondContact O-N 3.35Å; E333-T335 PolarHBondContact O-OG1 3.07Å; T335-V337 HydrophobicContact CG2-CG1 3.83Å; T335-P353 PolarHBondContact N-O 3.46Å; T335-I354 HydrophobicContact CG2-CG2 3.99Å; T335-I354 WeakPolarHBondContact O-CA 3.27Å; T335-L355 PolarHBondContact O-N 3.12Å
336I98.9Very high97.5Very high0 Ų041.5 Ų41.50%022%0.222CC..EExtended strand (participates in β ladder)trans-121.9130.1170.5-60.2177.7000107.4Y253 M280 I284 I320 I321 L355 V357Y253-I336 VanDerWaalsContact OH-CG1 3.23Å; Y253-I336 WeakPolarHBondContact OH-CG1 3.49Å; M280-I336 HydrophobicContact CB-CD1 3.71Å; M280-I336 HydrophobicContact CE-CD1 4.14Å; M280-I336 HydrophobicContact SD-CD1 4.47Å; I284-I336 HydrophobicContact CD1-CD1 3.73Å; I284-I336 HydrophobicContact CD1-CG1 4.14Å; I320-I336 HydrophobicContact CD1-CG2 4.26Å; I320-I336 PolarHBondContact N-O 3.07Å; I321-I336 HydrophobicContact CB-CB 4.23Å; I321-I336 HydrophobicContact CD1-CB 4.22Å; I321-I336 HydrophobicContact CD1-CD1 3.79Å; I321-I336 HydrophobicContact CD1-CG1 4.4Å; I321-I336 PolarHBondContact N-O 3.01Å; I321-I336 VanDerWaalsContact N-O 3.16Å; I321-I336 PolarHBondContact O-N 3.22Å; I336-L355 WeakPolarHBondContact CA-O 3.41Å; I336-V357 HydrophobicContact CG2-CG2 3.71Å
337V98.7Very high97.2Very high0 Ų043.8 Ų43.80%023%0.231CC..EExtended strand (participates in β ladder)trans-122.7145.1179.3-50.60000110.7N318 V319 T335 I345 I354 L355 P356 V357N318-V337 CarbonylContact O-C 3.53Å; N318-V337 VanDerWaalsContact O-CA 3.26Å; N318-V337 WeakPolarHBondContact O-CA 2.99Å; N318-V337 WeakPolarHBondContact O-CB 3.34Å; V319-V337 HydrophobicContact CG2-CG1 4.18Å; T335-V337 HydrophobicContact CG2-CG1 3.83Å; V337-I345 HydrophobicContact CG2-CD1 4.02Å; V337-I354 HydrophobicContact CG1-CG2 3.88Å; V337-I354 HydrophobicContact CG2-CG2 4.4Å; V337-L355 PolarHBondContact N-O 3.33Å; V337-P356 HydrophobicContact CG2-CB 3.86Å; V337-P356 HydrophobicContact CG2-CG 4.15Å; V337-P356 CarbonylContact O-C 3.51Å; V337-P356 WeakPolarHBondContact O-CA 3.27Å; V337-V357 PolarHBondContact O-N 3.41Å
338S98.1Very high97Very high34 Ų3442.8 Ų42.824%0.23824%0.235CC..EExtended strand (participates in β ladder)trans-79130.9164.5-170.60000108.3K273 N318K273-S338 PolarHBondContact NZ-OG 2.96Å; N318-S338 PolarHBondContact O-N 2.83Å
339A97.9Very high97Very high7 Ų737.3 Ų37.36%0.05820%0.204CC..  trans-135.5161-179.900000113D343 I345 L346 P356 V357 V358A339-D343 WeakPolarHBondContact CA-OD2 3.43Å; A339-D343 WeakPolarHBondContact CB-OD2 3.22Å; A339-I345 HydrophobicContact CB-CG2 4.21Å; A339-L346 HydrophobicContact CB-CD1 4.39Å; A339-P356 HydrophobicContact CB-CB 3.72Å; A339-V357 PolarHBondContact N-O 3.04Å; A339-V358 HydrophobicContact CB-CG2 4.35Å
340T96.4Very high97.1Very high70 Ų7036 Ų3643%0.42920%0.197SC..  trans-112.3161.316677.40000110.1S342 D343 L346T340-S342 PolarHBondContact O-N 3.37Å; T340-S342 VanDerWaalsContact O-N 3.11Å; T340-S342 PolarHBondContact OG1-OG 3.33Å; T340-D343 PolarHBondContact N-OD2 2.96Å; T340-D343 WeakPolarHBondContact O-CB 3.39Å; T340-D343 PolarHBondContact O-N 3.15Å; T340-D343 PolarHBondContact OG1-OD1 3.38Å; T340-L346 WeakPolarHBondContact O-CD1 3.22Å
341L95.2Very high97.1Very high65 Ų6535.1 Ų35.134%0.3419%0.191SC..THydrogen-bonded Turntrans-60.4-23.4-177.8-62.1177.9000114.3L267 L346 Q347 V358 I369 R373L267-L341 HydrophobicContact CD2-CD2 4.5Å; L341-L346 HydrophobicContact CD2-CD1 4.36Å; L341-Q347 PolarHBondContact O-NE2 2.92Å; L341-V358 HydrophobicContact CD2-CG1 4.09Å; L341-V358 HydrophobicContact CG-CG1 4.38Å; L341-I369 HydrophobicContact CD1-CD1 3.71Å; L341-I369 HydrophobicContact CD1-CG1 3.75Å; L341-I369 HydrophobicContact CD1-CG2 4.3Å; L341-I369 HydrophobicContact CD2-CD1 4.23Å; L341-I369 HydrophobicContact CD2-CG2 3.73Å; L341-R373 PolarHBondContact O-NH2 2.9Å
342S95.6Very high97.1Very high99 Ų9934.9 Ų34.969%0.69219%0.19SC*.THydrogen-bonded Turntrans-85.5-8.9178.746.20000114.3T340T340-S342 PolarHBondContact O-N 3.37Å; T340-S342 VanDerWaalsContact O-N 3.11Å; T340-S342 PolarHBondContact OG1-OG 3.33Å
343D97.5Very high97.1Very high52 Ų5234.9 Ų34.928%0.27819%0.19SC..SBendtrans-69.3146.9-176.1-63.7-8.8000111.1A339 T340 I345 L346 Q347A339-D343 WeakPolarHBondContact CA-OD2 3.43Å; A339-D343 WeakPolarHBondContact CB-OD2 3.22Å; T340-D343 PolarHBondContact N-OD2 2.96Å; T340-D343 WeakPolarHBondContact O-CB 3.39Å; T340-D343 PolarHBondContact O-N 3.15Å; T340-D343 PolarHBondContact OG1-OD1 3.38Å; D343-I345 HydrophobicContact CB-CG2 4.17Å; D343-I345 PolarHBondContact O-N 3.46Å; D343-L346 PolarHBondContact O-N 3.26Å; D343-Q347 PolarHBondContact O-NE2 3.04Å
344E96.4Very high97.1Very high99 Ų9934 Ų3446%0.46319%0.186SC..G310 helixtrans-56.4-36.2-178.6-173.5172.7146.100112.3L313 K316 L346 Q347L313-E344 HydrophobicContact CD2-CG 4.08Å; K316-E344 WeakPolarHBondContact CD-OE2 3.41Å; K316-E344 WeakPolarHBondContact CE-OE2 3.17Å; K316-E344 IonicContact NZ-OE1 3.4Å; K316-E344 PolarHBondContact NZ-OE1 3.1Å; K316-E344 IonicContact NZ-OE2 3.1Å; K316-E344 PolarHBondContact NZ-OE2 3.27Å; E344-L346 PolarHBondContact O-N 2.64Å; E344-L346 VanDerWaalsContact O-N 3.11Å; E344-Q347 PolarHBondContact O-N 3.41Å
345I97.5Very high97.1Very high4 Ų434 Ų342%0.02119%0.186CC..G310 helixtrans-63.9-16.4178.5-159.5164.3000113.5K230 L313 V337 A339 D343 I350 I354 P356K230-I345 PolarHBondContact NZ-O 2.93Å; L313-I345 HydrophobicContact CB-CD1 4.36Å; L313-I345 HydrophobicContact CB-CG1 4.44Å; V337-I345 HydrophobicContact CG2-CD1 4.02Å; A339-I345 HydrophobicContact CB-CG2 4.21Å; D343-I345 HydrophobicContact CB-CG2 4.17Å; D343-I345 PolarHBondContact O-N 3.46Å; I345-I350 HydrophobicContact CD1-CD1 4.16Å; I345-I350 HydrophobicContact CG1-CD1 3.67Å; I345-I350 HydrophobicContact CG1-CG1 4.02Å; I345-I354 HydrophobicContact CD1-CB 4.33Å; I345-I354 HydrophobicContact CD1-CG2 3.55Å; I345-P356 HydrophobicContact CB-CG 4.48Å; I345-P356 HydrophobicContact CD1-CG 3.96Å; I345-P356 HydrophobicContact CG1-CG 3.85Å; I345-P356 HydrophobicContact CG2-CB 4.16Å; I345-P356 HydrophobicContact CG2-CG 3.89Å
346L96.5Very high97.1Very high0 Ų034 Ų340%019%0.186CC..G310 helixtrans-101.56.9175.2-68.9-169.4000114.6K230 Y265 A339 T340 L341 D343 E344 P356 V358 R373K230-L346 VanDerWaalsContact CE-C 3.48Å; K230-L346 WeakPolarHBondContact CE-O 3.43Å; Y265-L346 HydrophobicContact CD1-CD2 4.43Å; Y265-L346 HydrophobicContact CD2-CD2 4.48Å; Y265-L346 HydrophobicContact CG-CD2 3.89Å; A339-L346 HydrophobicContact CB-CD1 4.39Å; T340-L346 WeakPolarHBondContact O-CD1 3.22Å; L341-L346 HydrophobicContact CD2-CD1 4.36Å; D343-L346 PolarHBondContact O-N 3.26Å; E344-L346 PolarHBondContact O-N 2.64Å; E344-L346 VanDerWaalsContact O-N 3.11Å; L346-P356 HydrophobicContact CD2-CB 3.88Å; L346-P356 HydrophobicContact CD2-CG 3.9Å; L346-P356 HydrophobicContact CG-CB 4.45Å; L346-V358 HydrophobicContact CD1-CG2 3.49Å; L346-V358 VanDerWaalsContact CD1-CG2 3.49Å; L346-R373 PolarHBondContact O-NH1 2.78Å
347Q93.7Very high97.1Very high101 Ų10134 Ų3447%0.47219%0.186SC..THydrogen-bonded Turntrans-87.8-44.7-179.5-54.9-47.9-52.600112.4L341 D343 E344L341-Q347 PolarHBondContact O-NE2 2.92Å; D343-Q347 PolarHBondContact O-NE2 3.04Å; E344-Q347 PolarHBondContact O-N 3.41Å
348D92.7Very high97.1Very high105 Ų10534.3 Ų34.356%0.56119%0.188SC*.SBendtrans-121.1171.5-180-69.9-57.4000111.9K230K230-D348 PolarHBondContact NZ-O 2.93Å
349E96.4Very high97.1Very high47 Ų4733.1 Ų33.122%0.2218%0.181CC..  trans-62.1131.5175.6-171.1178.1-150.400111.2G228 G229 R309 F351G228-E349 VanDerWaalsContact CA-OE1 3.3Å; G228-E349 WeakPolarHBondContact CA-OE1 3.39Å; G229-E349 PolarHBondContact N-OE1 3.44Å; R309-E349 PolarHBondContact NH1-O 3.28Å; E349-F351 HydrophobicContact CG-CB 4.29Å; E349-F351 HydrophobicContact CG-CD2 4.28Å
350I98Very high97.1Very high1 Ų133 Ų331%0.00518%0.179CC..  trans-77.9-44.7-178-61.5174.8000109.9D264 R309 L310 I345 G352 I354 P356D264-I350 VanDerWaalsContact O-CD1 3.29Å; D264-I350 WeakPolarHBondContact O-CD1 3.43Å; D264-I350 WeakPolarHBondContact OD2-CB 3.5Å; D264-I350 PolarHBondContact OD2-N 3.36Å; R309-I350 PolarHBondContact NH1-O 2.69Å; R309-I350 PolarHBondContact NH2-O 2.92Å; L310-I350 HydrophobicContact CD2-CG2 3.91Å; L310-I350 VanDerWaalsContact CD2-O 3.31Å; L310-I350 WeakPolarHBondContact CD2-O 3.46Å; I345-I350 HydrophobicContact CD1-CD1 4.16Å; I345-I350 HydrophobicContact CG1-CD1 3.67Å; I345-I350 HydrophobicContact CG1-CG1 4.02Å; I350-G352 VanDerWaalsContact C-N 3.28Å; I350-G352 PolarHBondContact O-N 2.9Å; I350-I354 WeakPolarHBondContact CD1-O 3.28Å; I350-I354 HydrophobicContact CG2-CB 4.02Å; I350-I354 HydrophobicContact CG2-CD1 4.23Å; I350-I354 HydrophobicContact CG2-CG1 4.45Å; I350-P356 VanDerWaalsContact CD1-CD 3.44Å; I350-P356 HydrophobicContact CD1-CG 3.49Å; I350-P356 VanDerWaalsContact CD1-CG 3.49Å
351F97.6Very high97Very high30 Ų3035.4 Ų35.413%0.13219%0.19CC..  trans4948.2179.3-145.3-96.4000113.4W130 N131 G257 Q258 C260 E349W130-F351 AromaticContact CH2-CD1 3.8Å; W130-F351 HydrophobicContact CH2-CD1 3.8Å; W130-F351 AromaticContact CH2-CE1 3.38Å; W130-F351 HydrophobicContact CH2-CE1 3.38Å; W130-F351 HydrophobicContact CZ2-CD1 4.03Å; W130-F351 AromaticContact CZ2-CE1 3.61Å; W130-F351 HydrophobicContact CZ2-CE1 3.61Å; W130-F351 HydrophobicContact CZ3-CE1 4.09Å; N131-F351 HydrophobicContact CB-CE1 3.95Å; N131-F351 HydrophobicContact CB-CZ 3.85Å; N131-F351 WeakPolarHBondContact ND2-CZ 3.31Å; G257-F351 CarbonylContact O-C 3.52Å; Q258-F351 HydrophobicContact CB-CD1 3.91Å; Q258-F351 HydrophobicContact CB-CE1 3.7Å; Q258-F351 HydrophobicContact CG-CD1 4.16Å; Q258-F351 HydrophobicContact CG-CE1 4.38Å; C260-F351 HydrophobicContact CB-CE2 4.49Å; E349-F351 HydrophobicContact CG-CB 4.29Å; E349-F351 HydrophobicContact CG-CD2 4.28Å
352G98.2Very high97Very high0 Ų035.4 Ų35.40%019%0.19CC..SBendtrans-172.4177-176.300000111.6K252 C256 G257 I350 I354K252-G352 WeakPolarHBondContact CE-O 3.43Å; K252-G352 PolarHBondContact NZ-O 3.45Å; C256-G352 CarbonylContact O-C 3.59Å; C256-G352 WeakPolarHBondContact O-CA 3.42Å; G257-G352 PolarHBondContact O-N 3.34Å; G257-G352 VanDerWaalsContact O-N 3.15Å; I350-G352 VanDerWaalsContact C-N 3.28Å; I350-G352 PolarHBondContact O-N 2.9Å; G352-I354 PolarHBondContact O-N 3.17Å
353P98.2Very high97Very high0 Ų031.3 Ų31.30%016%0.16CC..SBendtrans-8447.2-169.338.4-39.7000112.1Y253 C256 Y298 I301 L332 T335Y253-P353 HydrophobicContact CD1-CB 3.78Å; Y253-P353 HydrophobicContact CE1-CB 4.15Å; Y253-P353 WeakPolarHBondContact CE1-O 3.2Å; C256-P353 WeakPolarHBondContact O-CD 3.31Å; Y298-P353 WeakPolarHBondContact OH-CB 3.48Å; Y298-P353 WeakPolarHBondContact OH-CG 3.38Å; I301-P353 HydrophobicContact CD1-CG 4.42Å; L332-P353 HydrophobicContact CB-CG 4.04Å; L332-P353 HydrophobicContact CD2-CG 3.82Å; L332-P353 HydrophobicContact CG-CG 3.86Å; T335-P353 PolarHBondContact N-O 3.46Å
354I98.8Very high96.9Very high0 Ų033.5 Ų33.50%017%0.169CC..EExtended strand (participates in β ladder)trans-124.9118.4178.3-46.3161.6000109.1K252 L310 I314 L332 T335 V337 I345 I350 G352 P356K252-I354 WeakPolarHBondContact CE-O 3.19Å; K252-I354 PolarHBondContact NZ-O 3.38Å; L310-I354 HydrophobicContact CB-CD1 4.13Å; L310-I354 HydrophobicContact CD2-CD1 3.88Å; I314-I354 HydrophobicContact CD1-CD1 3.75Å; I314-I354 HydrophobicContact CD1-CG1 3.97Å; I314-I354 HydrophobicContact CG1-CD1 3.53Å; I314-I354 HydrophobicContact CG1-CG1 4.05Å; L332-I354 HydrophobicContact CD2-CD1 4.28Å; L332-I354 HydrophobicContact CD2-CG1 4.23Å; T335-I354 HydrophobicContact CG2-CG2 3.99Å; T335-I354 WeakPolarHBondContact O-CA 3.27Å; V337-I354 HydrophobicContact CG1-CG2 3.88Å; V337-I354 HydrophobicContact CG2-CG2 4.4Å; I345-I354 HydrophobicContact CD1-CB 4.33Å; I345-I354 HydrophobicContact CD1-CG2 3.55Å; I350-I354 WeakPolarHBondContact CD1-O 3.28Å; I350-I354 HydrophobicContact CG2-CB 4.02Å; I350-I354 HydrophobicContact CG2-CD1 4.23Å; I350-I354 HydrophobicContact CG2-CG1 4.45Å; G352-I354 PolarHBondContact O-N 3.17Å; I354-P356 WeakPolarHBondContact O-CD 3.37Å
355L98.8Very high96.9Very high0 Ų031.3 Ų31.30%016%0.16CC..EExtended strand (participates in β ladder)trans-110.5105.8179.4-176.260.8000110.8I248 K252 P263 L266 M280 T335 I336 V337I248-L355 HydrophobicContact CG2-CD2 3.7Å; K252-L355 HydrophobicContact CD-CB 4.2Å; K252-L355 HydrophobicContact CD-CD1 4.3Å; K252-L355 HydrophobicContact CG-CB 4.09Å; P263-L355 HydrophobicContact CB-CD1 4.31Å; L266-L355 HydrophobicContact CB-CD1 4.25Å; L266-L355 HydrophobicContact CB-CG 4.49Å; L266-L355 HydrophobicContact CD1-CD2 4.29Å; M280-L355 HydrophobicContact SD-CD2 3.89Å; T335-L355 PolarHBondContact O-N 3.12Å; I336-L355 WeakPolarHBondContact CA-O 3.41Å; V337-L355 PolarHBondContact N-O 3.33Å
356P98.7Very high96.9Very high0 Ų031.1 Ų31.10%016%0.159CC..EExtended strand (participates in β ladder)trans-72.4134.7169.4-1329000111.2D264 L266 V337 A339 I345 L346 I350 I354D264-P356 WeakPolarHBondContact O-CD 3.09Å; L266-P356 PolarHBondContact N-O 2.96Å; V337-P356 HydrophobicContact CG2-CB 3.86Å; V337-P356 HydrophobicContact CG2-CG 4.15Å; V337-P356 CarbonylContact O-C 3.51Å; V337-P356 WeakPolarHBondContact O-CA 3.27Å; A339-P356 HydrophobicContact CB-CB 3.72Å; I345-P356 HydrophobicContact CB-CG 4.48Å; I345-P356 HydrophobicContact CD1-CG 3.96Å; I345-P356 HydrophobicContact CG1-CG 3.85Å; I345-P356 HydrophobicContact CG2-CB 4.16Å; I345-P356 HydrophobicContact CG2-CG 3.89Å; L346-P356 HydrophobicContact CD2-CB 3.88Å; L346-P356 HydrophobicContact CD2-CG 3.9Å; L346-P356 HydrophobicContact CG-CB 4.45Å; I350-P356 VanDerWaalsContact CD1-CD 3.44Å; I350-P356 HydrophobicContact CD1-CG 3.49Å; I350-P356 VanDerWaalsContact CD1-CG 3.49Å; I354-P356 WeakPolarHBondContact O-CD 3.37Å
357V98.7Very high96.9Very high0 Ų031.9 Ų31.90%016%0.163CC..EExtended strand (participates in β ladder)trans-115.7114.9177.2-176.70000110L266 K273 V277 M280 I336 V337 A339L266-V357 HydrophobicContact CB-CG2 4.35Å; L266-V357 HydrophobicContact CD2-CG1 4.06Å; K273-V357 HydrophobicContact CD-CG1 4.1Å; K273-V357 HydrophobicContact CG-CG1 3.88Å; K273-V357 PolarHBondContact NZ-O 2.86Å; V277-V357 HydrophobicContact CG2-CG1 4.25Å; V277-V357 HydrophobicContact CG2-CG2 4.26Å; M280-V357 HydrophobicContact CE-CG2 4.07Å; I336-V357 HydrophobicContact CG2-CG2 3.71Å; V337-V357 PolarHBondContact O-N 3.41Å; A339-V357 PolarHBondContact N-O 3.04Å
358V98.4Very high97.1Very high7 Ų731.6 Ų31.64%0.04216%0.162CC..EExtended strand (participates in β ladder)trans-107.4125.9179.6-171.60000109L266 L267 C268 A339 L341 L346L266-V358 PolarHBondContact O-N 2.98Å; L267-V358 WeakPolarHBondContact CA-O 3.37Å; L267-V358 HydrophobicContact CD2-CB 3.76Å; L267-V358 HydrophobicContact CD2-CG1 4.23Å; L267-V358 HydrophobicContact CD2-CG2 4.19Å; C268-V358 PolarHBondContact N-O 2.82Å; A339-V358 HydrophobicContact CB-CG2 4.35Å; L341-V358 HydrophobicContact CD2-CG1 4.09Å; L341-V358 HydrophobicContact CG-CG1 4.38Å; L346-V358 HydrophobicContact CD1-CG2 3.49Å; L346-V358 VanDerWaalsContact CD1-CG2 3.49Å
359G97.7Very high97.4Very high8 Ų826.9 Ų26.98%0.08214%0.136CC..EExtended strand (participates in β ladder)trans-79.8136.8170.700000110.3C268 W270C268-G359 CarbonylContact O-C 3.34Å; C268-G359 WeakPolarHBondContact O-CA 3.35Å; W270-G359 VanDerWaalsContact CZ2-O 3.22Å; W270-G359 WeakPolarHBondContact CZ2-O 3.46Å
360V97.6Very high97.4Very high4 Ų424.9 Ų24.92%0.02413%0.128CC..EExtended strand (participates in β ladder)trans-123.3154.4174.4-62.80000110.6L267 C268 W270 M363 A366 I369L267-V360 HydrophobicContact CB-CG1 4.33Å; L267-V360 HydrophobicContact CD2-CG1 4.39Å; C268-V360 WeakPolarHBondContact O-CG2 3.42Å; C268-V360 PolarHBondContact O-N 2.93Å; W270-V360 PolarHBondContact N-O 2.67Å; V360-M363 HydrophobicContact CG2-CE 3.57Å; V360-A366 HydrophobicContact CG2-CB 4.23Å; V360-I369 HydrophobicContact CG1-CD1 3.76Å
361D94.3Very high97.3Very high121 Ų12129.3 Ų29.365%0.64715%0.149SC*.SBendtrans-72.4-31.8-178.4-59.2-32000113W270W270-D361 PolarHBondContact NE1-OD1 2.82Å; W270-D361 VanDerWaalsContact NE1-OD1 3.07Å
362N95.1Very high97.2Very high66 Ų6634.5 Ų34.535%0.35317%0.174SC..  trans-163.1168.1177.455.565.6000111E364 N365 A366N362-E364 VanDerWaalsContact C-N 3.35Å; N362-E364 PolarHBondContact O-N 3.23Å; N362-E364 WeakPolarHBondContact OD1-CB 3.48Å; N362-E364 PolarHBondContact OD1-N 3.44Å; N362-N365 WeakPolarHBondContact O-CB 3.42Å; N362-N365 PolarHBondContact O-N 3.33Å; N362-N365 PolarHBondContact OD1-N 3.23Å; N362-A366 PolarHBondContact O-N 3.41Å
363M96.2Very high97.1Very high12 Ų1237.3 Ų37.36%0.05919%0.185CC..Hα-helixtrans-74.1-21.9-177.7-66.9-62.2108.400113.8I234 D236 D269 V360 N365 A366 L367 L388I234-M363 HydrophobicContact CG2-SD 3.38Å; I234-M363 WeakPolarHBondContact CG2-SD 3.29Å; D236-M363 HydrophobicContact CB-CG 3.61Å; D236-M363 HydrophobicContact CB-SD 3.74Å; D269-M363 HydrophobicContact CB-CE 4.45Å; D269-M363 WeakPolarHBondContact OD1-CE 3.46Å; V360-M363 HydrophobicContact CG2-CE 3.57Å; M363-N365 VanDerWaalsContact C-N 3.33Å; M363-A366 HydrophobicContact CE-CB 4.48Å; M363-A366 WeakPolarHBondContact O-CB 3.4Å; M363-A366 PolarHBondContact O-N 2.82Å; M363-A366 HydrophobicContact SD-CB 4.29Å; M363-L367 PolarHBondContact O-N 2.89Å; M363-L388 HydrophobicContact CB-CD1 3.87Å; M363-L388 HydrophobicContact CB-CD2 3.72Å; M363-L388 HydrophobicContact CB-CG 4.47Å; M363-L388 HydrophobicContact CG-CD2 3.77Å
364E95.3Very high96.9Very high98 Ų9842.9 Ų42.946%0.45821%0.21SC..Hα-helixtrans-62.1-41.9168.6-73.369.9-159.200111.3N362 L367 H368 K391N362-E364 VanDerWaalsContact C-N 3.35Å; N362-E364 PolarHBondContact O-N 3.23Å; N362-E364 WeakPolarHBondContact OD1-CB 3.48Å; N362-E364 PolarHBondContact OD1-N 3.44Å; E364-L367 PolarHBondContact O-N 2.93Å; E364-H368 PolarHBondContact O-N 3.24Å; E364-K391 IonicContact OE1-NZ 3.69Å; E364-K391 PolarHBondContact OE1-NZ 3.38Å
365N96.2Very high96.8Very high54 Ų5445.8 Ų45.829%0.28922%0.224SC..Hα-helixtrans-65.9-38.8174.2-166.618.4000111.3N362 M363 L367 H368 I369N362-N365 WeakPolarHBondContact O-CB 3.42Å; N362-N365 PolarHBondContact O-N 3.33Å; N362-N365 PolarHBondContact OD1-N 3.23Å; M363-N365 VanDerWaalsContact C-N 3.33Å; N365-L367 PolarHBondContact O-N 3.01Å; N365-H368 WeakPolarHBondContact O-CB 3.36Å; N365-H368 PolarHBondContact O-N 2.98Å; N365-I369 WeakPolarHBondContact O-CD1 3.44Å; N365-I369 VanDerWaalsContact O-CG1 3.23Å; N365-I369 WeakPolarHBondContact O-CG1 3.27Å; N365-I369 PolarHBondContact O-N 2.93Å
366A97.5Very high96.7Very high0 Ų046 Ų460%023%0.226CC..Hα-helixtrans-58.8-46174.100000112.4I234 L267 V360 N362 M363 H368 I369 V370I234-A366 HydrophobicContact CG1-CB 4.43Å; I234-A366 HydrophobicContact CG2-CB 3.95Å; L267-A366 HydrophobicContact CB-CB 4.23Å; L267-A366 HydrophobicContact CD1-CB 3.94Å; V360-A366 HydrophobicContact CG2-CB 4.23Å; N362-A366 PolarHBondContact O-N 3.41Å; M363-A366 HydrophobicContact CE-CB 4.48Å; M363-A366 WeakPolarHBondContact O-CB 3.4Å; M363-A366 PolarHBondContact O-N 2.82Å; M363-A366 HydrophobicContact SD-CB 4.29Å; A366-H368 VanDerWaalsContact C-N 3.33Å; A366-H368 PolarHBondContact O-N 3.37Å; A366-I369 PolarHBondContact O-N 2.74Å; A366-V370 WeakPolarHBondContact O-CG2 3.35Å; A366-V370 PolarHBondContact O-N 3.17Å; A366-V370 VanDerWaalsContact O-N 3.14Å
367L97.9Very high96.6Very high16 Ų1646 Ų468%0.08423%0.226CC..Hα-helixtrans-60.6-43.7175.4176.359.4000111.2M363 E364 N365 V370 M371 K391 F392 C395M363-L367 PolarHBondContact O-N 2.89Å; E364-L367 PolarHBondContact O-N 2.93Å; N365-L367 PolarHBondContact O-N 3.01Å; L367-V370 PolarHBondContact O-N 2.99Å; L367-M371 HydrophobicContact CD1-CG 4.17Å; L367-M371 HydrophobicContact CD1-SD 3.97Å; L367-M371 HydrophobicContact CG-SD 3.88Å; L367-M371 VanDerWaalsContact O-CG 3.32Å; L367-M371 WeakPolarHBondContact O-CG 3.41Å; L367-M371 PolarHBondContact O-N 3.39Å; L367-K391 HydrophobicContact CD2-CB 4.17Å; L367-F392 HydrophobicContact CB-CE1 4.4Å; L367-F392 HydrophobicContact CB-CE2 4Å; L367-F392 HydrophobicContact CB-CZ 3.82Å; L367-F392 HydrophobicContact CD1-CD1 3.79Å; L367-F392 HydrophobicContact CD1-CD2 4.31Å; L367-F392 HydrophobicContact CD1-CE1 3.75Å; L367-F392 HydrophobicContact CD1-CE2 4.28Å; L367-F392 HydrophobicContact CD1-CG 4.08Å; L367-F392 HydrophobicContact CD1-CZ 4Å; L367-F392 HydrophobicContact CG-CZ 4.48Å; L367-C395 HydrophobicContact CD2-CB 4.24Å
368H97.5Very high96.6Very high94 Ų9446 Ų4644%0.43523%0.226SC..Hα-helixtrans-60.4-47178.1-170.852.4000112.2E364 N365 A366 V370 M371 E372E364-H368 PolarHBondContact O-N 3.24Å; N365-H368 WeakPolarHBondContact O-CB 3.36Å; N365-H368 PolarHBondContact O-N 2.98Å; A366-H368 VanDerWaalsContact C-N 3.33Å; A366-H368 PolarHBondContact O-N 3.37Å; H368-V370 VanDerWaalsContact C-N 3.27Å; H368-V370 PolarHBondContact O-N 3.05Å; H368-M371 PolarHBondContact O-N 3.07Å; H368-E372 IonicContact CD2-OE1 2.71Å; H368-E372 IonicContact CE1-OE1 2.63Å; H368-E372 PolarHBondContact CE1-OE1 3.43Å; H368-E372 IonicContact NE2-OE1 3.94Å; H368-E372 PolarHBondContact NE2-OE1 2.68Å; H368-E372 VanDerWaalsContact NE2-OE1 3.1Å; H368-E372 WeakPolarHBondContact O-CG 3.2Å; H368-E372 PolarHBondContact O-N 3.22Å
369I97.4Very high96.6Very high6 Ų645.7 Ų45.73%0.03122%0.224CC..Hα-helixtrans-56.4-41.4176.3-68.5160.2000111.6L267 L341 V360 N365 A366 R373L267-I369 HydrophobicContact CD1-CB 4.15Å; L267-I369 HydrophobicContact CD1-CD1 4.41Å; L267-I369 HydrophobicContact CD1-CG2 3.98Å; L341-I369 HydrophobicContact CD1-CD1 3.71Å; L341-I369 HydrophobicContact CD1-CG1 3.75Å; L341-I369 HydrophobicContact CD1-CG2 4.3Å; L341-I369 HydrophobicContact CD2-CD1 4.23Å; L341-I369 HydrophobicContact CD2-CG2 3.73Å; V360-I369 HydrophobicContact CG1-CD1 3.76Å; N365-I369 WeakPolarHBondContact O-CD1 3.44Å; N365-I369 VanDerWaalsContact O-CG1 3.23Å; N365-I369 WeakPolarHBondContact O-CG1 3.27Å; N365-I369 PolarHBondContact O-N 2.93Å; A366-I369 PolarHBondContact O-N 2.74Å; I369-R373 WeakPolarHBondContact O-CD 3.33Å; I369-R373 WeakPolarHBondContact O-CG 3.4Å
370V97.5Very high96.7Very high6 Ų645.3 Ų45.34%0.03622%0.22CC..Hα-helixtrans-66.8-39.6177.7172.80000111.1P232 I234 L267 A366 L367 H368 I379P232-V370 HydrophobicContact CB-CG2 3.88Å; P232-V370 HydrophobicContact CG-CG1 4.12Å; P232-V370 HydrophobicContact CG-CG2 3.83Å; I234-V370 HydrophobicContact CD1-CG2 4.18Å; L267-V370 HydrophobicContact CD1-CG2 4.2Å; A366-V370 WeakPolarHBondContact O-CG2 3.35Å; A366-V370 PolarHBondContact O-N 3.17Å; A366-V370 VanDerWaalsContact O-N 3.14Å; L367-V370 PolarHBondContact O-N 2.99Å; H368-V370 VanDerWaalsContact C-N 3.27Å; H368-V370 PolarHBondContact O-N 3.05Å; V370-I379 HydrophobicContact CG1-CD1 3.69Å; V370-I379 HydrophobicContact CG1-CG1 4.23Å
371M96.4Very high96.7Very high94 Ų9445.1 Ų45.146%0.46322%0.219SC..Hα-helixtrans-73.7-27.6-179.4-69.9174.364.200114.1L367 H368 R373 C395L367-M371 HydrophobicContact CD1-CG 4.17Å; L367-M371 HydrophobicContact CD1-SD 3.97Å; L367-M371 HydrophobicContact CG-SD 3.88Å; L367-M371 VanDerWaalsContact O-CG 3.32Å; L367-M371 WeakPolarHBondContact O-CG 3.41Å; L367-M371 PolarHBondContact O-N 3.39Å; H368-M371 PolarHBondContact O-N 3.07Å; M371-R373 PolarHBondContact O-N 2.82Å; M371-C395 HydrophobicContact CE-CB 4.44Å; M371-C395 HydrophobicContact SD-CB 4.07Å
372E95.4Very high96.9Very high139 Ų13939.6 Ų39.665%0.6519%0.189SC*.THydrogen-bonded Turntrans-77.6-11.6177.4-71.8-168.7140.200113.4H368H368-E372 IonicContact CD2-OE1 2.71Å; H368-E372 IonicContact CE1-OE1 2.63Å; H368-E372 PolarHBondContact CE1-OE1 3.43Å; H368-E372 IonicContact NE2-OE1 3.94Å; H368-E372 PolarHBondContact NE2-OE1 2.68Å; H368-E372 VanDerWaalsContact NE2-OE1 3.1Å; H368-E372 WeakPolarHBondContact O-CG 3.2Å; H368-E372 PolarHBondContact O-N 3.22Å
373R94.7Very high97.1Very high59 Ų5936.4 Ų36.422%0.22317%0.172CC..SBendtrans-100.3164-179-69.8173.8176.7-96.81.4111.1L341 L346 I369 M371L341-R373 PolarHBondContact O-NH2 2.9Å; L346-R373 PolarHBondContact O-NH1 2.78Å; I369-R373 WeakPolarHBondContact O-CD 3.33Å; I369-R373 WeakPolarHBondContact O-CG 3.4Å; M371-R373 PolarHBondContact O-N 2.82Å
374E95.2Very high97.1Very high116 Ų11643.6 Ų43.654%0.54220%0.198SC..PPolyproline II helixtrans-56.2137.9172.1-69.3-77.9-166.600111.2P376 R422E374-P376 WeakPolarHBondContact O-CD 3.31Å; E374-R422 HydrophobicContact CB-CB 3.93Å; E374-R422 HydrophobicContact CB-CG 4.39Å; E374-R422 HydrophobicContact CG-CB 4.27Å; E374-R422 VanDerWaalsContact CG-CD 3.43Å; E374-R422 WeakPolarHBondContact OE2-CB 3.41Å
375H95.8Very high97.2Very high62 Ų6241.4 Ų41.429%0.28719%0.19SC..PPolyproline II helixtrans-59.4120-173.4-61157.1000111.9H397 V420 S423H375-H397 WeakPolarHBondContact NE2-CB 3.41Å; H375-V420 HydrophobicContact CB-CG1 3.95Å; H375-V420 VanDerWaalsContact CB-O 3.26Å; H375-V420 WeakPolarHBondContact CB-O 3.36Å; H375-S423 VanDerWaalsContact O-CB 3.26Å; H375-S423 WeakPolarHBondContact O-CB 3.3Å; H375-S423 PolarHBondContact O-OG 3.06Å
376P97.4Very high97.2Very high5 Ų543.4 Ų43.43%0.03221%0.205CC..PPolyproline II helixtrans-77.2162.5-178.733.2-36.8000111.9P232 E374 I379 S398 G399 S423P232-P376 HydrophobicContact CG-CG 4.33Å; E374-P376 WeakPolarHBondContact O-CD 3.31Å; P376-I379 HydrophobicContact CG-CD1 4.19Å; P376-I379 HydrophobicContact CG-CG1 3.62Å; P376-S398 VanDerWaalsContact O-CA 3.28Å; P376-S398 WeakPolarHBondContact O-CA 3.39Å; P376-S398 WeakPolarHBondContact O-CB 3.41Å; P376-G399 PolarHBondContact O-N 2.69Å; P376-G399 VanDerWaalsContact O-N 3.1Å; P376-S423 PolarHBondContact O-OG 2.63Å
377L97.6Very high97.3Very high0 Ų047.3 Ų47.30%023%0.233CC..SBendtrans-69.6-36.4175.4-173.660.3000111.3E226 L227 C260 I261 G399 A400 F417 G418E226-L377 WeakPolarHBondContact OE1-CD2 3.36Å; L227-L377 WeakPolarHBondContact O-CD2 3.36Å; C260-L377 HydrophobicContact CB-CD2 3.87Å; I261-L377 HydrophobicContact CG2-CB 4.46Å; I261-L377 HydrophobicContact CG2-CD2 3.43Å; I261-L377 VanDerWaalsContact CG2-CD2 3.43Å; I261-L377 HydrophobicContact CG2-CG 3.79Å; L377-G399 CarbonylContact O-C 3.53Å; L377-G399 WeakPolarHBondContact O-CA 3.14Å; L377-G399 PolarHBondContact O-N 3.13Å; L377-A400 PolarHBondContact O-N 2.92Å; L377-F417 HydrophobicContact CD2-CE2 4.45Å; L377-F417 HydrophobicContact CD2-CZ 3.97Å; L377-F417 HydrophobicContact CG-CE2 4.41Å; L377-F417 HydrophobicContact CG-CZ 4.39Å; L377-G418 WeakPolarHBondContact CD1-O 3.4Å
378A98.4Very high97.2Very high0 Ų046.9 Ų46.90%023%0.23CC..EExtended strand (participates in β ladder)trans-141148.7172.700000111.8C231 P232 I261 Y380 A400C231-A378 VanDerWaalsContact CA-O 3.27Å; C231-A378 WeakPolarHBondContact CA-O 3.44Å; C231-A378 VanDerWaalsContact CB-O 3.23Å; C231-A378 WeakPolarHBondContact CB-O 3.42Å; C231-A378 PolarHBondContact SG-N 3.12Å; C231-A378 VanDerWaalsContact SG-N 3.35Å; C231-A378 PolarHBondContact SG-O 3.18Å; P232-A378 WeakPolarHBondContact CD-O 3.34Å; I261-A378 HydrophobicContact CG2-CB 4.47Å; A378-Y380 HydrophobicContact CB-CE1 4.02Å; A378-Y380 HydrophobicContact CB-CE2 4.23Å; A378-A400 CarbonylContact C-O 3.59Å; A378-A400 VanDerWaalsContact CA-O 3.26Å; A378-A400 WeakPolarHBondContact CA-O 3.38Å
379I98.7Very high97.3Very high0 Ų044.8 Ų44.80%022%0.221CC..EExtended strand (participates in β ladder)trans-114.4133.7166.6-63.3171.3000107.7P232 I234 V370 P376 F392 S396 S398 A400 L401 V402P232-I379 HydrophobicContact CG-CB 4.25Å; P232-I379 HydrophobicContact CG-CG1 3.83Å; P232-I379 HydrophobicContact CG-CG2 4.13Å; I234-I379 HydrophobicContact CD1-CG2 3.73Å; V370-I379 HydrophobicContact CG1-CD1 3.69Å; V370-I379 HydrophobicContact CG1-CG1 4.23Å; P376-I379 HydrophobicContact CG-CD1 4.19Å; P376-I379 HydrophobicContact CG-CG1 3.62Å; I379-F392 HydrophobicContact CG2-CD1 4.1Å; I379-F392 HydrophobicContact CG2-CE1 4.23Å; I379-S396 WeakPolarHBondContact CD1-OG 3.11Å; I379-S398 WeakPolarHBondContact CD1-OG 3.27Å; I379-A400 PolarHBondContact N-O 3.21Å; I379-L401 HydrophobicContact CB-CD1 3.86Å; I379-L401 HydrophobicContact CG2-CD1 3.58Å; I379-L401 WeakPolarHBondContact O-CA 3.22Å; I379-V402 PolarHBondContact O-N 3.3Å
380Y98.8Very high97.3Very high0 Ų048.8 Ų48.80%024%0.24CC..EExtended strand (participates in β ladder)trans-113.4118.3177.1-58.3-57.2000110.4C231 P232 V233 I234 I261 P263 A378 V402 D405 V406 M407C231-Y380 HydrophobicContact CB-CE2 4.1Å; P232-Y380 PolarHBondContact O-N 3.48Å; V233-Y380 CarbonylContact C-O 3.55Å; V233-Y380 WeakPolarHBondContact CA-O 3.49Å; V233-Y380 HydrophobicContact CG2-CD2 3.94Å; V233-Y380 HydrophobicContact CG2-CG 4.41Å; I234-Y380 PolarHBondContact N-O 3.22Å; I261-Y380 VanDerWaalsContact O-CE2 3.24Å; I261-Y380 WeakPolarHBondContact O-CE2 3.49Å; I261-Y380 VanDerWaalsContact O-CZ 3.3Å; I261-Y380 PolarHBondContact O-OH 3.08Å; P263-Y380 HydrophobicContact CG-CD2 4.41Å; P263-Y380 HydrophobicContact CG-CE2 4.44Å; A378-Y380 HydrophobicContact CB-CE1 4.02Å; A378-Y380 HydrophobicContact CB-CE2 4.23Å; Y380-V402 WeakPolarHBondContact CA-O 3.27Å; Y380-V402 HydrophobicContact CD1-CB 3.85Å; Y380-V402 HydrophobicContact CD1-CG2 4.09Å; Y380-V402 HydrophobicContact CE1-CB 4.07Å; Y380-V402 HydrophobicContact CE1-CG2 3.82Å; Y380-D405 WeakPolarHBondContact CD1-O 3.47Å; Y380-V406 HydrophobicContact CD1-CB 4.01Å; Y380-V406 HydrophobicContact CD1-CG1 3.83Å; Y380-V406 HydrophobicContact CD2-CB 4.39Å; Y380-V406 HydrophobicContact CD2-CG1 3.94Å; Y380-V406 HydrophobicContact CE1-CB 3.97Å; Y380-V406 HydrophobicContact CE1-CG1 4.28Å; Y380-V406 HydrophobicContact CE2-CB 4.29Å; Y380-V406 HydrophobicContact CE2-CG1 4.33Å; Y380-V406 HydrophobicContact CG-CB 4.23Å; Y380-V406 HydrophobicContact CG-CG1 3.65Å; Y380-M407 PolarHBondContact OH-N 2.97Å
381L98.6Very high97.3Very high0 Ų052.4 Ų52.40%026%0.255CS..EExtended strand (participates in β ladder)trans-118.3109.6-177.2177.865.8000110.7I234 T383 L388 Q389 F392 L401 V402 V403 N404I234-L381 HydrophobicContact CB-CD1 3.85Å; I234-L381 HydrophobicContact CG2-CD1 3.85Å; L381-T383 HydrophobicContact CD1-CG2 4.11Å; L381-T383 HydrophobicContact CD2-CG2 3.82Å; L381-T383 HydrophobicContact CG-CG2 3.68Å; L381-L388 HydrophobicContact CD1-CD2 4.25Å; L381-L388 HydrophobicContact CD1-CG 4.49Å; L381-Q389 HydrophobicContact CD2-CG 4.19Å; L381-F392 HydrophobicContact CD1-CD2 4.01Å; L381-F392 HydrophobicContact CD1-CE2 3.86Å; L381-F392 HydrophobicContact CD1-CZ 4.24Å; L381-F392 HydrophobicContact CD2-CB 3.91Å; L381-F392 HydrophobicContact CD2-CD2 3.7Å; L381-F392 HydrophobicContact CD2-CE2 4.4Å; L381-F392 HydrophobicContact CD2-CG 3.84Å; L381-F392 HydrophobicContact CG-CD2 4.46Å; L381-L401 HydrophobicContact CB-CD1 4.09Å; L381-V402 PolarHBondContact N-O 2.87Å; L381-V403 CarbonylContact O-C 3.59Å; L381-V403 VanDerWaalsContact O-CA 3.27Å; L381-V403 WeakPolarHBondContact O-CA 3.39Å; L381-N404 PolarHBondContact O-N 3.07Å
382F98.6Very high97.4Very high4 Ų448 Ų482%0.01823%0.233CC..EExtended strand (participates in β ladder)trans-96.6105.3173.4-70.6-96.1000109.6V233 I234 V235 D236 A244 R247 I248 N404 V406V233-F382 HydrophobicContact CG1-CD2 3.74Å; V233-F382 HydrophobicContact CG1-CE2 3.86Å; I234-F382 PolarHBondContact O-N 3.3Å; V235-F382 HydrophobicContact CB-CB 4.44Å; V235-F382 HydrophobicContact CG1-CB 4.24Å; V235-F382 HydrophobicContact CG2-CB 4.15Å; V235-F382 HydrophobicContact CG2-CD2 4.33Å; V235-F382 HydrophobicContact CG2-CG 4.49Å; D236-F382 PolarHBondContact N-O 2.91Å; A244-F382 HydrophobicContact CB-CB 4.25Å; A244-F382 HydrophobicContact CB-CD1 3.59Å; A244-F382 HydrophobicContact CB-CE1 4.14Å; A244-F382 HydrophobicContact CB-CG 4Å; R247-F382 HydrophobicContact CB-CE1 4.04Å; R247-F382 HydrophobicContact CB-CZ 3.98Å; I248-F382 HydrophobicContact CD1-CD2 4.19Å; I248-F382 HydrophobicContact CD1-CE2 4.08Å; I248-F382 HydrophobicContact CD1-CZ 4.49Å; I248-F382 HydrophobicContact CG1-CD2 4.34Å; I248-F382 HydrophobicContact CG1-CE2 3.73Å; I248-F382 HydrophobicContact CG1-CZ 3.94Å; F382-N404 WeakPolarHBondContact CA-OD1 3.5Å; F382-N404 VanDerWaalsContact CE1-C 3.43Å; F382-N404 WeakPolarHBondContact CE1-O 3.47Å; F382-V406 HydrophobicContact CE2-CG1 3.85Å; F382-V406 HydrophobicContact CZ-CG1 3.9Å
383T97.4Very high97.6Very high0 Ų046 Ų460%023%0.226CC..  trans-162.1151.4-179.9-178.20000111.5D236 L381 N385 L388 Q389 N404D236-T383 WeakPolarHBondContact OD1-CA 3.22Å; D236-T383 PolarHBondContact OD1-OG1 2.88Å; D236-T383 WeakPolarHBondContact OD2-CB 3.27Å; D236-T383 PolarHBondContact OD2-OG1 2.78Å; L381-T383 HydrophobicContact CD1-CG2 4.11Å; L381-T383 HydrophobicContact CD2-CG2 3.82Å; L381-T383 HydrophobicContact CG-CG2 3.68Å; T383-N385 VanDerWaalsContact OG1-CB 3.28Å; T383-N385 WeakPolarHBondContact OG1-CB 3.39Å; T383-N385 PolarHBondContact OG1-N 2.9Å; T383-L388 HydrophobicContact CG2-CD2 4.32Å; T383-Q389 HydrophobicContact CG2-CG 3.56Å; T383-Q389 PolarHBondContact O-NE2 3.46Å; T383-Q389 VanDerWaalsContact O-NE2 3.16Å; T383-N404 PolarHBondContact N-OD1 3.06Å; T383-N404 PolarHBondContact O-ND2 3.45Å; T383-N404 PolarHBondContact O-OD1 3.43Å
384R97.1Very high97.7Very high162 Ų16249.5 Ų49.561%0.61125%0.245SC*.SBendtrans-980.8166.1-65.8-176.7179.1164.4-1113.3L238 D240 P386L238-R384 HydrophobicContact CB-CB 4.39Å; L238-R384 VanDerWaalsContact O-CD 3.27Å; L238-R384 WeakPolarHBondContact O-CD 3.44Å; L238-R384 WeakPolarHBondContact O-CG 3.29Å; D240-R384 IonicContact OD2-NH2 2.7Å; R384-P386 VanDerWaalsContact O-CD 3.26Å; R384-P386 WeakPolarHBondContact O-CD 3.17Å
385N97Very high97.8Very high53 Ų5346.3 Ų46.328%0.28324%0.235SC..  trans-84.6109.2-177.2-173.8-22.7000111.7L238 T383 S387 L388 Q389L238-N385 HydrophobicContact CD1-CB 4.08Å; T383-N385 VanDerWaalsContact OG1-CB 3.28Å; T383-N385 WeakPolarHBondContact OG1-CB 3.39Å; T383-N385 PolarHBondContact OG1-N 2.9Å; N385-S387 VanDerWaalsContact C-N 3.29Å; N385-S387 PolarHBondContact O-N 2.89Å; N385-S387 WeakPolarHBondContact OD1-CB 3.14Å; N385-S387 PolarHBondContact OD1-N 3.5Å; N385-L388 HydrophobicContact CB-CB 3.83Å; N385-L388 PolarHBondContact O-N 3.22Å; N385-L388 PolarHBondContact OD1-N 2.91Å; N385-Q389 WeakPolarHBondContact O-CG 3.17Å; N385-Q389 PolarHBondContact O-N 3.01Å; N385-Q389 VanDerWaalsContact O-N 3.08Å
386P97.7Very high97.8Very high95 Ų9544.1 Ų44.162%0.61723%0.226SC*.Hα-helixtrans-64.3-34-179.1-20.534.4000112.8R384 L388 Q389 Q390R384-P386 VanDerWaalsContact O-CD 3.26Å; R384-P386 WeakPolarHBondContact O-CD 3.17Å; P386-L388 VanDerWaalsContact C-N 3.34Å; P386-Q389 PolarHBondContact O-N 3.44Å; P386-Q390 WeakPolarHBondContact O-CB 3.39Å; P386-Q390 PolarHBondContact O-N 3.46Å
387S97.8Very high97.7Very high83 Ų8349.3 Ų49.358%0.5825%0.25SS*.Hα-helixtrans-67.2-36.8177.9-56.90000111.6N385 K391N385-S387 VanDerWaalsContact C-N 3.29Å; N385-S387 PolarHBondContact O-N 2.89Å; N385-S387 WeakPolarHBondContact OD1-CB 3.14Å; N385-S387 PolarHBondContact OD1-N 3.5Å; S387-K391 WeakPolarHBondContact O-CG 3.23Å; S387-K391 PolarHBondContact O-N 2.88Å
388L97.2Very high97.7Very high6 Ų650.6 Ų50.63%0.03126%0.259CS..Hα-helixtrans-69.3-43175.4-172.960.6000111.4D236 M363 L381 T383 N385 P386 Q390 K391 F392D236-L388 HydrophobicContact CB-CD2 4.43Å; M363-L388 HydrophobicContact CB-CD1 3.87Å; M363-L388 HydrophobicContact CB-CD2 3.72Å; M363-L388 HydrophobicContact CB-CG 4.47Å; M363-L388 HydrophobicContact CG-CD2 3.77Å; L381-L388 HydrophobicContact CD1-CD2 4.25Å; L381-L388 HydrophobicContact CD1-CG 4.49Å; T383-L388 HydrophobicContact CG2-CD2 4.32Å; N385-L388 HydrophobicContact CB-CB 3.83Å; N385-L388 PolarHBondContact O-N 3.22Å; N385-L388 PolarHBondContact OD1-N 2.91Å; P386-L388 VanDerWaalsContact C-N 3.34Å; L388-Q390 VanDerWaalsContact C-N 3.3Å; L388-Q390 PolarHBondContact O-N 3.16Å; L388-K391 PolarHBondContact O-N 2.8Å; L388-F392 HydrophobicContact CD1-CD2 3.98Å; L388-F392 HydrophobicContact CD1-CE2 3.79Å; L388-F392 HydrophobicContact CG-CD2 4.12Å; L388-F392 HydrophobicContact CG-CE2 4.13Å; L388-F392 WeakPolarHBondContact O-CD2 3.4Å; L388-F392 PolarHBondContact O-N 3.18Å
389Q98.2Very high97.6Very high51 Ų5151.9 Ų51.924%0.23827%0.272CS..Hα-helixtrans-56-47.5174.4-66174.220.700110.9L381 T383 N385 P386 K391 F392 I393 V403L381-Q389 HydrophobicContact CD2-CG 4.19Å; T383-Q389 HydrophobicContact CG2-CG 3.56Å; T383-Q389 PolarHBondContact O-NE2 3.46Å; T383-Q389 VanDerWaalsContact O-NE2 3.16Å; N385-Q389 WeakPolarHBondContact O-CG 3.17Å; N385-Q389 PolarHBondContact O-N 3.01Å; N385-Q389 VanDerWaalsContact O-N 3.08Å; P386-Q389 PolarHBondContact O-N 3.44Å; Q389-K391 PolarHBondContact O-N 3.12Å; Q389-F392 PolarHBondContact O-N 2.88Å; Q389-I393 VanDerWaalsContact O-CG1 3.29Å; Q389-I393 WeakPolarHBondContact O-CG1 2.95Å; Q389-I393 PolarHBondContact O-N 2.79Å; Q389-V403 HydrophobicContact CG-CG1 3.92Å; Q389-V403 HydrophobicContact CG-CG2 4.4Å
390Q98.3Very high97.6Very high90 Ų9052.8 Ų52.842%0.42128%0.279SS..Hα-helixtrans-61.9-42.4178.8-167.861.430.200112.3P386 L388 F392 I393 E394P386-Q390 WeakPolarHBondContact O-CB 3.39Å; P386-Q390 PolarHBondContact O-N 3.46Å; L388-Q390 VanDerWaalsContact C-N 3.3Å; L388-Q390 PolarHBondContact O-N 3.16Å; Q390-F392 PolarHBondContact O-N 2.93Å; Q390-I393 PolarHBondContact O-N 2.96Å; Q390-E394 HydrophobicContact CG-CG 4.45Å; Q390-E394 WeakPolarHBondContact CG-OE1 3.29Å; Q390-E394 PolarHBondContact NE2-OE1 3.36Å; Q390-E394 WeakPolarHBondContact O-CG 2.92Å; Q390-E394 PolarHBondContact O-N 2.88Å
391K98Very high97.6Very high82 Ų8255.1 Ų55.136%0.35729%0.292SS..Hα-helixtrans-58.3-45.3175.1-75.4179.7-176.2-174.20112.1E364 L367 S387 L388 Q389 E394 C395E364-K391 IonicContact OE1-NZ 3.69Å; E364-K391 PolarHBondContact OE1-NZ 3.38Å; L367-K391 HydrophobicContact CD2-CB 4.17Å; S387-K391 WeakPolarHBondContact O-CG 3.23Å; S387-K391 PolarHBondContact O-N 2.88Å; L388-K391 PolarHBondContact O-N 2.8Å; Q389-K391 PolarHBondContact O-N 3.12Å; K391-E394 PolarHBondContact O-N 2.72Å; K391-C395 VanDerWaalsContact O-CB 3.24Å; K391-C395 WeakPolarHBondContact O-CB 3.12Å; K391-C395 PolarHBondContact O-N 3.27Å; K391-C395 PolarHBondContact O-SG 2.98Å
392F98.3Very high97.6Very high0 Ų055.8 Ų55.80%030%0.296CS..Hα-helixtrans-65.4-40.1177.5-89.6-94.1000112I234 L367 I379 L381 L388 Q389 Q390 E394 S396 L401I234-F392 HydrophobicContact CB-CZ 4.38Å; I234-F392 HydrophobicContact CD1-CE1 3.8Å; I234-F392 HydrophobicContact CD1-CZ 4.13Å; I234-F392 HydrophobicContact CG1-CE1 4.13Å; I234-F392 HydrophobicContact CG1-CZ 3.93Å; I234-F392 HydrophobicContact CG2-CZ 4.22Å; L367-F392 HydrophobicContact CB-CE1 4.4Å; L367-F392 HydrophobicContact CB-CE2 4Å; L367-F392 HydrophobicContact CB-CZ 3.82Å; L367-F392 HydrophobicContact CD1-CD1 3.79Å; L367-F392 HydrophobicContact CD1-CD2 4.31Å; L367-F392 HydrophobicContact CD1-CE1 3.75Å; L367-F392 HydrophobicContact CD1-CE2 4.28Å; L367-F392 HydrophobicContact CD1-CG 4.08Å; L367-F392 HydrophobicContact CD1-CZ 4Å; L367-F392 HydrophobicContact CG-CZ 4.48Å; I379-F392 HydrophobicContact CG2-CD1 4.1Å; I379-F392 HydrophobicContact CG2-CE1 4.23Å; L381-F392 HydrophobicContact CD1-CD2 4.01Å; L381-F392 HydrophobicContact CD1-CE2 3.86Å; L381-F392 HydrophobicContact CD1-CZ 4.24Å; L381-F392 HydrophobicContact CD2-CB 3.91Å; L381-F392 HydrophobicContact CD2-CD2 3.7Å; L381-F392 HydrophobicContact CD2-CE2 4.4Å; L381-F392 HydrophobicContact CD2-CG 3.84Å; L381-F392 HydrophobicContact CG-CD2 4.46Å; L388-F392 HydrophobicContact CD1-CD2 3.98Å; L388-F392 HydrophobicContact CD1-CE2 3.79Å; L388-F392 HydrophobicContact CG-CD2 4.12Å; L388-F392 HydrophobicContact CG-CE2 4.13Å; L388-F392 WeakPolarHBondContact O-CD2 3.4Å; L388-F392 PolarHBondContact O-N 3.18Å; Q389-F392 PolarHBondContact O-N 2.88Å; Q390-F392 PolarHBondContact O-N 2.93Å; F392-E394 VanDerWaalsContact C-N 3.31Å; F392-E394 PolarHBondContact O-N 2.68Å; F392-S396 WeakPolarHBondContact O-CB 3.35Å; F392-S396 PolarHBondContact O-N 2.94Å; F392-S396 VanDerWaalsContact O-N 3.13Å; F392-S396 PolarHBondContact O-OG 2.86Å; F392-L401 HydrophobicContact CB-CD1 4.37Å; F392-L401 HydrophobicContact CB-CD2 3.86Å
393I98.2Very high97.6Very high99 Ų9957.9 Ų57.951%0.50831%0.309SS..Hα-helixtrans-59.6-41.9176-69.9164.5000111.3Q389 Q390 L401Q389-I393 VanDerWaalsContact O-CG1 3.29Å; Q389-I393 WeakPolarHBondContact O-CG1 2.95Å; Q389-I393 PolarHBondContact O-N 2.79Å; Q390-I393 PolarHBondContact O-N 2.96Å; I393-L401 HydrophobicContact CB-CD2 4.41Å; I393-L401 HydrophobicContact CG1-CD2 3.61Å
394E97.8Very high97.6Very high132 Ų13260.2 Ų60.262%0.61732%0.321SS*.Hα-helixtrans-85-34.7-174.1-70.6175.817800113.9Q390 K391 F392Q390-E394 HydrophobicContact CG-CG 4.45Å; Q390-E394 WeakPolarHBondContact CG-OE1 3.29Å; Q390-E394 PolarHBondContact NE2-OE1 3.36Å; Q390-E394 WeakPolarHBondContact O-CG 2.92Å; Q390-E394 PolarHBondContact O-N 2.88Å; K391-E394 PolarHBondContact O-N 2.72Å; F392-E394 VanDerWaalsContact C-N 3.31Å; F392-E394 PolarHBondContact O-N 2.68Å
395C97.2Very high97.7Very high49 Ų4954 Ų5433%0.33130%0.3SS..Hα-helixtrans-106.5-25-167.4-57.40000114.2L367 M371 K391L367-C395 HydrophobicContact CD2-CB 4.24Å; M371-C395 HydrophobicContact CE-CB 4.44Å; M371-C395 HydrophobicContact SD-CB 4.07Å; K391-C395 VanDerWaalsContact O-CB 3.24Å; K391-C395 WeakPolarHBondContact O-CB 3.12Å; K391-C395 PolarHBondContact O-N 3.27Å; K391-C395 PolarHBondContact O-SG 2.98Å
396S96.3Very high97.7Very high16 Ų1651.4 Ų51.411%0.11229%0.286CS..  trans-89145-177.578.20000112.1I379 F392I379-S396 WeakPolarHBondContact CD1-OG 3.11Å; F392-S396 WeakPolarHBondContact O-CB 3.35Å; F392-S396 PolarHBondContact O-N 2.94Å; F392-S396 VanDerWaalsContact O-N 3.13Å; F392-S396 PolarHBondContact O-OG 2.86Å
397H95.3Very high97.6Very high114 Ų11447.2 Ų47.253%0.52826%0.258SS..  trans-115.7121.2176.6-68.380.7000109.3H375H375-H397 WeakPolarHBondContact NE2-CB 3.41Å
398S97.4Very high97.4Very high27 Ų2746.5 Ų46.519%0.18925%0.25CS..SBendtrans-158.9169-179.656.70000110.3P376 I379 A400P376-S398 VanDerWaalsContact O-CA 3.28Å; P376-S398 WeakPolarHBondContact O-CA 3.39Å; P376-S398 WeakPolarHBondContact O-CB 3.41Å; I379-S398 WeakPolarHBondContact CD1-OG 3.27Å; S398-A400 VanDerWaalsContact C-N 3.31Å; S398-A400 PolarHBondContact OG-O 2.88Å; S398-A400 VanDerWaalsContact OG-O 3.08Å
399G97Very high97.4Very high27 Ų2747.1 Ų47.128%0.27825%0.253SS..SBendtrans-62.6-39.3169.600000112.6P376 L377 G418P376-G399 PolarHBondContact O-N 2.69Å; P376-G399 VanDerWaalsContact O-N 3.1Å; L377-G399 CarbonylContact O-C 3.53Å; L377-G399 WeakPolarHBondContact O-CA 3.14Å; L377-G399 PolarHBondContact O-N 3.13Å; G399-G418 WeakPolarHBondContact CA-O 3.47Å
400A97.8Very high97.2Very high18 Ų1846.7 Ų46.715%0.14925%0.254CS..EExtended strand (participates in β ladder)trans-151.7149175.800000112.5L377 A378 I379 S398 H409L377-A400 PolarHBondContact O-N 2.92Å; A378-A400 CarbonylContact C-O 3.59Å; A378-A400 VanDerWaalsContact CA-O 3.26Å; A378-A400 WeakPolarHBondContact CA-O 3.38Å; I379-A400 PolarHBondContact N-O 3.21Å; S398-A400 VanDerWaalsContact C-N 3.31Å; S398-A400 PolarHBondContact OG-O 2.88Å; S398-A400 VanDerWaalsContact OG-O 3.08Å; A400-H409 VanDerWaalsContact CB-CD2 3.4Å; A400-H409 WeakPolarHBondContact CB-CD2 3.48Å; A400-H409 WeakPolarHBondContact CB-NE2 3.48Å
401L98.3Very high96.8Very high50 Ų5046.3 Ų46.326%0.26227%0.267SS..EExtended strand (participates in β ladder)trans-112.4124.3165.1172.965.2000108.6I379 L381 F392 I393 V403I379-L401 HydrophobicContact CB-CD1 3.86Å; I379-L401 HydrophobicContact CG2-CD1 3.58Å; I379-L401 WeakPolarHBondContact O-CA 3.22Å; L381-L401 HydrophobicContact CB-CD1 4.09Å; F392-L401 HydrophobicContact CB-CD1 4.37Å; F392-L401 HydrophobicContact CB-CD2 3.86Å; I393-L401 HydrophobicContact CB-CD2 4.41Å; I393-L401 HydrophobicContact CG1-CD2 3.61Å; L401-V403 HydrophobicContact CG-CG2 4.42Å
402V98.6Very high96.7Very high14 Ų1446.2 Ų46.29%0.08527%0.27CS..EExtended strand (participates in β ladder)trans-117.5126.4175.3-167.80000109I379 Y380 L381 D405 V408 H409I379-V402 PolarHBondContact O-N 3.3Å; Y380-V402 WeakPolarHBondContact CA-O 3.27Å; Y380-V402 HydrophobicContact CD1-CB 3.85Å; Y380-V402 HydrophobicContact CD1-CG2 4.09Å; Y380-V402 HydrophobicContact CE1-CB 4.07Å; Y380-V402 HydrophobicContact CE1-CG2 3.82Å; L381-V402 PolarHBondContact N-O 2.87Å; V402-D405 HydrophobicContact CG1-CB 4.29Å; V402-D405 WeakPolarHBondContact CG1-O 3.38Å; V402-V408 HydrophobicContact CG1-CG2 4.29Å; V402-H409 HydrophobicContact CG2-CB 3.85Å; V402-H409 VanDerWaalsContact CG2-ND1 3.26Å; V402-H409 WeakPolarHBondContact CG2-ND1 3.22Å
403V98.4Very high96.3Very high47 Ų4748.4 Ų48.429%0.28528%0.281SS..EExtended strand (participates in β ladder)trans-100.4129-179.3179.90000109.5L381 Q389 L401 D405L381-V403 CarbonylContact O-C 3.59Å; L381-V403 VanDerWaalsContact O-CA 3.27Å; L381-V403 WeakPolarHBondContact O-CA 3.39Å; Q389-V403 HydrophobicContact CG-CG1 3.92Å; Q389-V403 HydrophobicContact CG-CG2 4.4Å; L401-V403 HydrophobicContact CG-CG2 4.42Å; V403-D405 PolarHBondContact O-N 3.13Å
404N98.2Very high96.1Very high49 Ų4948.1 Ų48.126%0.26228%0.284SS..SBendtrans62.513.7177-64.3-44.1000116.2R247 L381 F382 T383R247-N404 VanDerWaalsContact CD-O 3.31Å; R247-N404 WeakPolarHBondContact CD-O 3.2Å; R247-N404 PolarHBondContact NH1-O 3.16Å; L381-N404 PolarHBondContact O-N 3.07Å; F382-N404 WeakPolarHBondContact CA-OD1 3.5Å; F382-N404 VanDerWaalsContact CE1-C 3.43Å; F382-N404 WeakPolarHBondContact CE1-O 3.47Å; T383-N404 PolarHBondContact N-OD1 3.06Å; T383-N404 PolarHBondContact O-ND2 3.45Å; T383-N404 PolarHBondContact O-OD1 3.43Å
405D98.2Very high96.1Very high31 Ų3145.6 Ų45.617%0.16627%0.274CS..SBendtrans-152.6174.8171.8-139.4-37.3000110.8R247 Y380 V402 V403 V408R247-D405 WeakPolarHBondContact CD-OD1 3.26Å; R247-D405 IonicContact CZ-OD2 3.62Å; R247-D405 VanDerWaalsContact CZ-OD2 3.23Å; R247-D405 VanDerWaalsContact NE-CG 3.33Å; R247-D405 IonicContact NE-OD1 2.72Å; R247-D405 IonicContact NE-OD2 3.12Å; R247-D405 PolarHBondContact NE-OD2 3.26Å; R247-D405 IonicContact NH2-OD2 3.41Å; R247-D405 PolarHBondContact NH2-OD2 3.28Å; Y380-D405 WeakPolarHBondContact CD1-O 3.47Å; V402-D405 HydrophobicContact CG1-CB 4.29Å; V402-D405 WeakPolarHBondContact CG1-O 3.38Å; V403-D405 PolarHBondContact O-N 3.13Å; D405-V408 HydrophobicContact CB-CG2 3.86Å
406V98.1Very high96Very high0 Ų046 Ų460%028%0.277CS..SBendtrans-129.1148.3177.6-59.50000110.5R247 W250 P263 Y380 F382 V408R247-V406 VanDerWaalsContact O-CG2 3.26Å; R247-V406 WeakPolarHBondContact O-CG2 3.42Å; W250-V406 HydrophobicContact CE3-CG2 3.91Å; W250-V406 HydrophobicContact CZ3-CG2 4.07Å; P263-V406 HydrophobicContact CG-CG1 4.15Å; Y380-V406 HydrophobicContact CD1-CB 4.01Å; Y380-V406 HydrophobicContact CD1-CG1 3.83Å; Y380-V406 HydrophobicContact CD2-CB 4.39Å; Y380-V406 HydrophobicContact CD2-CG1 3.94Å; Y380-V406 HydrophobicContact CE1-CB 3.97Å; Y380-V406 HydrophobicContact CE1-CG1 4.28Å; Y380-V406 HydrophobicContact CE2-CB 4.29Å; Y380-V406 HydrophobicContact CE2-CG1 4.33Å; Y380-V406 HydrophobicContact CG-CB 4.23Å; Y380-V406 HydrophobicContact CG-CG1 3.65Å; F382-V406 HydrophobicContact CE2-CG1 3.85Å; F382-V406 HydrophobicContact CZ-CG1 3.9Å; V406-V408 PolarHBondContact O-N 2.96Å
407M94.9Very high96.1Very high6 Ų645.9 Ų45.93%0.0327%0.274CS..SBendtrans62.1-28.3173-55.3175.953.600117.7W250 I254 T259 I261 Y380 H409 T410W250-M407 HydrophobicContact CZ3-CB 4.24Å; W250-M407 HydrophobicContact CZ3-SD 4.45Å; I254-M407 HydrophobicContact CG2-CE 3.93Å; I254-M407 HydrophobicContact CG2-SD 3.9Å; T259-M407 HydrophobicContact CG2-CE 3.8Å; I261-M407 HydrophobicContact CD1-CB 3.93Å; I261-M407 HydrophobicContact CD1-CE 4.37Å; I261-M407 HydrophobicContact CD1-CG 3.98Å; I261-M407 HydrophobicContact CG1-CE 4.36Å; I261-M407 HydrophobicContact CG1-CG 4.01Å; Y380-M407 PolarHBondContact OH-N 2.97Å; M407-H409 PolarHBondContact O-N 3.32Å; M407-H409 PolarHBondContact O-ND1 3.34Å; M407-T410 PolarHBondContact O-N 3.4Å; M407-T410 VanDerWaalsContact O-N 3.12Å; M407-T410 PolarHBondContact O-OG1 3.08Å
408V94.9Very high96.2Very high68 Ų6840.9 Ų40.941%0.41225%0.253SS..G310 helixtrans-58.9-24.1-170.7-65.50000115.2V402 D405 V406 T410 A411V402-V408 HydrophobicContact CG1-CG2 4.29Å; D405-V408 HydrophobicContact CB-CG2 3.86Å; V406-V408 PolarHBondContact O-N 2.96Å; V408-T410 PolarHBondContact O-N 2.9Å; V408-A411 PolarHBondContact O-N 2.54Å; V408-A411 VanDerWaalsContact O-N 3.16Å
409H95.9Very high96.1Very high20 Ų2040.1 Ų40.19%0.09325%0.25CC..G310 helixtrans-59.8-27177.267.1-69.5000113.4A400 V402 M407 A411 L412 L415A400-H409 VanDerWaalsContact CB-CD2 3.4Å; A400-H409 WeakPolarHBondContact CB-CD2 3.48Å; A400-H409 WeakPolarHBondContact CB-NE2 3.48Å; V402-H409 HydrophobicContact CG2-CB 3.85Å; V402-H409 VanDerWaalsContact CG2-ND1 3.26Å; V402-H409 WeakPolarHBondContact CG2-ND1 3.22Å; M407-H409 PolarHBondContact O-N 3.32Å; M407-H409 PolarHBondContact O-ND1 3.34Å; H409-A411 PolarHBondContact O-N 3.16Å; H409-L412 PolarHBondContact O-N 3.21Å; H409-L415 HydrophobicContact CB-CD1 4.23Å
410T94.1Very high96.1Very high41 Ų4141.5 Ų41.525%0.25225%0.253SS..G310 helixtrans-75.1-11.9179.563.50000113.9I261 M407 V408 L412 F417 H429I261-T410 HydrophobicContact CD1-CG2 3.43Å; I261-T410 VanDerWaalsContact CD1-CG2 3.43Å; M407-T410 PolarHBondContact O-N 3.4Å; M407-T410 VanDerWaalsContact O-N 3.12Å; M407-T410 PolarHBondContact O-OG1 3.08Å; V408-T410 PolarHBondContact O-N 2.9Å; T410-L412 VanDerWaalsContact C-N 3.33Å; T410-F417 HydrophobicContact CG2-CD2 3.64Å; T410-F417 HydrophobicContact CG2-CE2 3.46Å; T410-F417 VanDerWaalsContact CG2-CE2 3.46Å; T410-F417 HydrophobicContact CG2-CG 4.33Å; T410-F417 HydrophobicContact CG2-CZ 4.04Å; T410-H429 PolarHBondContact O-CE1 2.76Å
411A91Very high95.9Very high83 Ų8343 Ų4369%0.68627%0.27SS*.G310 helixtrans-87.8-3.4175.200000112.9V408 H409V408-A411 PolarHBondContact O-N 2.54Å; V408-A411 VanDerWaalsContact O-N 3.16Å; H409-A411 PolarHBondContact O-N 3.16Å
412L94.1Very high95.8Very high80 Ų8046.3 Ų46.342%0.41928%0.279SS..  trans-105.898.9-178.2-178.158.2000110.5H409 T410 T414 L415H409-L412 PolarHBondContact O-N 3.21Å; T410-L412 VanDerWaalsContact C-N 3.33Å; L412-T414 WeakPolarHBondContact CD1-OG1 3.28Å; L412-T414 WeakPolarHBondContact CG-OG1 3.36Å; L412-T414 PolarHBondContact O-N 3.06Å; L412-L415 HydrophobicContact CB-CD1 4.38Å; L412-L415 HydrophobicContact CD2-CD1 3.85Å; L412-L415 HydrophobicContact CD2-CG 3.88Å; L412-L415 HydrophobicContact CG-CD1 4.4Å; L412-L415 HydrophobicContact CG-CG 4.2Å; L412-L415 PolarHBondContact O-N 3.25Å
413D90Very high95.7Very high46 Ų4645.7 Ų45.725%0.24628%0.275CS..THydrogen-bonded Turntrans-62.1-13.4-174.665.594.5000114.9V89V89-D413 WeakPolarHBondContact CG1-OD1 3.27Å; V89-D413 HydrophobicContact CG2-CB 4.35Å
414T94.8Very high95.7Very high93 Ų9343.5 Ų43.557%0.57126%0.262SS*.THydrogen-bonded Turntrans-85.5-8.6175.759.20000113.6L412L412-T414 WeakPolarHBondContact CD1-OG1 3.28Å; L412-T414 WeakPolarHBondContact CG-OG1 3.36Å; L412-T414 PolarHBondContact O-N 3.06Å
415L97Very high95.7Very high78 Ų7844.5 Ų44.541%0.40827%0.266SS..SBendtrans-96139.3169.9-68.1178.1000109.7H409 L412H409-L415 HydrophobicContact CB-CD1 4.23Å; L412-L415 HydrophobicContact CB-CD1 4.38Å; L412-L415 HydrophobicContact CD2-CD1 3.85Å; L412-L415 HydrophobicContact CD2-CG 3.88Å; L412-L415 HydrophobicContact CG-CD1 4.4Å; L412-L415 HydrophobicContact CG-CG 4.2Å; L412-L415 PolarHBondContact O-N 3.25Å
416P96.6Very high95.6Very high59 Ų5945 Ų4538%0.38328%0.279SS..  trans-70.7135.7171.230.3-32.5000109.6R427 F432P416-R427 HydrophobicContact CB-CB 4.09Å; P416-R427 HydrophobicContact CB-CG 4.49Å; P416-F432 HydrophobicContact CB-CD1 4.02Å; P416-F432 HydrophobicContact CB-CD2 3.87Å; P416-F432 HydrophobicContact CB-CE1 4.01Å; P416-F432 HydrophobicContact CB-CE2 3.89Å; P416-F432 HydrophobicContact CB-CG 3.93Å; P416-F432 HydrophobicContact CB-CZ 3.94Å; P416-F432 HydrophobicContact CG-CE1 4.41Å; P416-F432 HydrophobicContact CG-CE2 4.32Å; P416-F432 HydrophobicContact CG-CZ 4.12Å; P416-F432 VanDerWaalsContact N-CE2 3.33Å
417F97.8Very high95.6Very high12 Ų1251.1 Ų51.15%0.05330%0.302CS..BIsolated β-bridgetrans-111.9133170.7-175-115.3000110.4E226 I261 L377 T410 R427 Y428 H429E226-F417 HydrophobicContact CG-CE1 3.89Å; I261-F417 HydrophobicContact CG2-CE2 3.85Å; I261-F417 HydrophobicContact CG2-CZ 3.86Å; L377-F417 HydrophobicContact CD2-CE2 4.45Å; L377-F417 HydrophobicContact CD2-CZ 3.97Å; L377-F417 HydrophobicContact CG-CE2 4.41Å; L377-F417 HydrophobicContact CG-CZ 4.39Å; T410-F417 HydrophobicContact CG2-CD2 3.64Å; T410-F417 HydrophobicContact CG2-CE2 3.46Å; T410-F417 VanDerWaalsContact CG2-CE2 3.46Å; T410-F417 HydrophobicContact CG2-CG 4.33Å; T410-F417 HydrophobicContact CG2-CZ 4.04Å; F417-R427 CarbonylContact O-C 3.5Å; F417-R427 WeakPolarHBondContact O-CA 3.24Å; F417-Y428 HydrophobicContact CB-CE1 4.41Å; F417-Y428 HydrophobicContact CD1-CD1 4.2Å; F417-Y428 AromaticContact CD1-CE1 3.28Å; F417-Y428 HydrophobicContact CD1-CE1 3.28Å; F417-Y428 AromaticContact CD1-CZ 3.59Å; F417-Y428 WeakPolarHBondContact CD1-OH 3.41Å; F417-Y428 AromaticContact CE1-CE1 3.9Å; F417-Y428 HydrophobicContact CE1-CE1 3.9Å; F417-Y428 WeakPolarHBondContact CE1-OH 3.17Å; F417-Y428 HydrophobicContact CG-CE1 4.26Å; F417-Y428 PolarHBondContact N-O 3.24Å; F417-Y428 VanDerWaalsContact O-CD1 3.26Å; F417-Y428 WeakPolarHBondContact O-CD1 3.33Å; F417-Y428 PolarHBondContact O-N 2.9Å; F417-H429 VanDerWaalsContact CB-CE1 3.48Å; F417-H429 WeakPolarHBondContact CB-CE1 3.41Å; F417-H429 WeakPolarHBondContact CB-ND1 3.32Å; F417-H429 AromaticContact CD1-CE1 3.69Å; F417-H429 AromaticContact CD1-NE2 3.73Å; F417-H429 AromaticContact CG-CE1 3.71Å
418G96.5Very high95.8Very high9 Ų951 Ų519%0.09330%0.301CS..  trans162.6174.5-17500000111.2L377 G399L377-G418 WeakPolarHBondContact CD1-O 3.4Å; G399-G418 WeakPolarHBondContact CA-O 3.47Å
419G96.2Very high95.9Very high11 Ų1148.3 Ų48.311%0.11328%0.284CS..  trans-110.5175.6-177.800000114G424G419-G424 CarbonylContact C-O 3.59Å
420V96.1Very high95.9Very high57 Ų5747.5 Ų47.535%0.34528%0.281SS..  trans-138.3133.6172.359.50000109.4H375 R422 S423 G424H375-V420 HydrophobicContact CB-CG1 3.95Å; H375-V420 VanDerWaalsContact CB-O 3.26Å; H375-V420 WeakPolarHBondContact CB-O 3.36Å; V420-R422 PolarHBondContact O-N 3.43Å; V420-S423 PolarHBondContact N-OG 3.41Å; V420-S423 PolarHBondContact O-OG 3.28Å; V420-G424 CarbonylContact C-O 3.59Å; V420-G424 VanDerWaalsContact CA-O 3.28Å; V420-G424 WeakPolarHBondContact CA-O 3.41Å; V420-G424 PolarHBondContact N-O 2.7Å
421G94.9Very high96.1Very high49 Ų4949.2 Ų49.251%0.50529%0.285SS..G310 helixtrans68.4-125.7-177.900000111.7S423 G424G421-S423 VanDerWaalsContact C-N 3.31Å; G421-S423 PolarHBondContact O-N 3.45Å; G421-G424 PolarHBondContact N-O 3.18Å; G421-G424 VanDerWaalsContact N-O 3.17Å; G421-G424 PolarHBondContact O-N 3.29Å
422R95Very high96.5Very high120 Ų12047.6 Ų47.645%0.45326%0.262SS..G310 helixtrans-67.8-26.5-176.2-168.5176.3-180110.1-5.2114.2E374 V420 G424E374-R422 HydrophobicContact CB-CB 3.93Å; E374-R422 HydrophobicContact CB-CG 4.39Å; E374-R422 HydrophobicContact CG-CB 4.27Å; E374-R422 VanDerWaalsContact CG-CD 3.43Å; E374-R422 WeakPolarHBondContact OE2-CB 3.41Å; V420-R422 PolarHBondContact O-N 3.43Å; R422-G424 PolarHBondContact O-N 3.25Å
423S97Very high96.7Very high1 Ų143.9 Ų43.91%0.00724%0.243CC..G310 helixtrans-76.1-2.5171.655.50000113.5L227 H375 P376 V420 G421L227-S423 WeakPolarHBondContact CB-O 3.38Å; L227-S423 PolarHBondContact N-O 3.24Å; L227-S423 VanDerWaalsContact N-O 3.09Å; H375-S423 VanDerWaalsContact O-CB 3.26Å; H375-S423 WeakPolarHBondContact O-CB 3.3Å; H375-S423 PolarHBondContact O-OG 3.06Å; P376-S423 PolarHBondContact O-OG 2.63Å; V420-S423 PolarHBondContact N-OG 3.41Å; V420-S423 PolarHBondContact O-OG 3.28Å; G421-S423 VanDerWaalsContact C-N 3.31Å; G421-S423 PolarHBondContact O-N 3.45Å
424G97.9Very high97.1Very high1 Ų141.7 Ų41.71%0.0123%0.231CC..EExtended strand (participates in β ladder)trans120.2-158.4170.400000114.2L225 G419 V420 G421 R422L225-G424 CarbonylContact O-C 3.46Å; L225-G424 VanDerWaalsContact O-CA 3.24Å; L225-G424 WeakPolarHBondContact O-CA 3.21Å; G419-G424 CarbonylContact C-O 3.59Å; V420-G424 CarbonylContact C-O 3.59Å; V420-G424 VanDerWaalsContact CA-O 3.28Å; V420-G424 WeakPolarHBondContact CA-O 3.41Å; V420-G424 PolarHBondContact N-O 2.7Å; G421-G424 PolarHBondContact N-O 3.18Å; G421-G424 VanDerWaalsContact N-O 3.17Å; G421-G424 PolarHBondContact O-N 3.29Å; R422-G424 PolarHBondContact O-N 3.25Å
425M98.1Very high97.3Very high70 Ų7039 Ų3935%0.34521%0.213SC..EExtended strand (participates in β ladder)trans-157.2152-17666-176.56900112M213 V223 L225M213-M425 HydrophobicContact CE-CE 4.03Å; M213-M425 HydrophobicContact CE-SD 4.33Å; M213-M425 HydrophobicContact SD-CE 3.83Å; M213-M425 HydrophobicContact SD-SD 4.49Å; V223-M425 HydrophobicContact CG2-SD 3.85Å; L225-M425 HydrophobicContact CB-CG 4.16Å; L225-M425 HydrophobicContact CD1-CE 4.06Å; L225-M425 HydrophobicContact CD1-CG 4.27Å; L225-M425 HydrophobicContact CD1-SD 4.32Å; L225-M425 HydrophobicContact CG-CG 4.09Å; L225-M425 PolarHBondContact N-O 2.78Å; L225-M425 PolarHBondContact O-N 2.74Å
426G97.5Very high97.3Very high42 Ų4236.5 Ų36.543%0.43320%0.201SC..  trans84.9-175.8-174.400000111.7
427R97.6Very high97.5Very high127 Ų12733.7 Ų33.748%0.47918%0.183SC..  trans-154.7157.3-176.556.7179.3-177.7-102.6-0.7111.1P416 F417 F432 T436P416-R427 HydrophobicContact CB-CB 4.09Å; P416-R427 HydrophobicContact CB-CG 4.49Å; F417-R427 CarbonylContact O-C 3.5Å; F417-R427 WeakPolarHBondContact O-CA 3.24Å; R427-F432 HydrophobicContact CG-CB 4.21Å; R427-F432 HydrophobicContact CG-CD1 4.47Å; R427-T436 WeakPolarHBondContact O-CB 3.41Å; R427-T436 PolarHBondContact O-OG1 3.46Å
428Y98.2Very high97.5Very high4 Ų433.8 Ų33.82%0.01619%0.185CC..BIsolated β-bridgetrans-151.3-166.8174.175.1-62.1000109.5V139 F201 E226 F417 S433V139-Y428 HydrophobicContact CB-CE2 4.2Å; V139-Y428 HydrophobicContact CG1-CD2 3.77Å; V139-Y428 HydrophobicContact CG1-CE2 3.5Å; F201-Y428 HydrophobicContact CE2-CD1 4.07Å; F201-Y428 HydrophobicContact CE2-CD2 4.33Å; F201-Y428 AromaticContact CE2-CG 3.92Å; F201-Y428 HydrophobicContact CE2-CG 3.92Å; F201-Y428 AromaticContact CZ-CD1 3.77Å; F201-Y428 HydrophobicContact CZ-CD1 3.77Å; F201-Y428 HydrophobicContact CZ-CD2 4.03Å; F201-Y428 AromaticContact CZ-CE1 3.89Å; F201-Y428 HydrophobicContact CZ-CE1 3.89Å; F201-Y428 HydrophobicContact CZ-CE2 4.16Å; F201-Y428 AromaticContact CZ-CG 3.86Å; F201-Y428 HydrophobicContact CZ-CG 3.86Å; E226-Y428 HydrophobicContact CB-CE1 4.4Å; E226-Y428 HydrophobicContact CG-CE1 4.07Å; F417-Y428 HydrophobicContact CB-CE1 4.41Å; F417-Y428 HydrophobicContact CD1-CD1 4.2Å; F417-Y428 AromaticContact CD1-CE1 3.28Å; F417-Y428 HydrophobicContact CD1-CE1 3.28Å; F417-Y428 AromaticContact CD1-CZ 3.59Å; F417-Y428 WeakPolarHBondContact CD1-OH 3.41Å; F417-Y428 AromaticContact CE1-CE1 3.9Å; F417-Y428 HydrophobicContact CE1-CE1 3.9Å; F417-Y428 WeakPolarHBondContact CE1-OH 3.17Å; F417-Y428 HydrophobicContact CG-CE1 4.26Å; F417-Y428 PolarHBondContact N-O 3.24Å; F417-Y428 VanDerWaalsContact O-CD1 3.26Å; F417-Y428 WeakPolarHBondContact O-CD1 3.33Å; F417-Y428 PolarHBondContact O-N 2.9Å; Y428-S433 WeakPolarHBondContact CB-OG 3.47Å
429H97.1Very high97.6Very high12 Ų1238.1 Ų38.16%0.05620%0.203CC..SBendtrans82.9138.9-162.5-59.9-178.8000114.2E86 T410 F417 K431 F432 S433E86-H429 VanDerWaalsContact OE1-CA 3.3Å; E86-H429 WeakPolarHBondContact OE1-CA 3.21Å; E86-H429 WeakPolarHBondContact OE1-CB 3.5Å; E86-H429 IonicContact OE1-CD2 3.75Å; E86-H429 IonicContact OE1-CG 2.88Å; T410-H429 PolarHBondContact O-CE1 2.76Å; F417-H429 VanDerWaalsContact CB-CE1 3.48Å; F417-H429 WeakPolarHBondContact CB-CE1 3.41Å; F417-H429 WeakPolarHBondContact CB-ND1 3.32Å; F417-H429 AromaticContact CD1-CE1 3.69Å; F417-H429 AromaticContact CD1-NE2 3.73Å; F417-H429 AromaticContact CG-CE1 3.71Å; H429-K431 PolarHBondContact O-N 3.3Å; H429-F432 WeakPolarHBondContact O-CA 3.36Å; H429-F432 VanDerWaalsContact O-CB 3.26Å; H429-F432 WeakPolarHBondContact O-CB 3.35Å; H429-F432 WeakPolarHBondContact O-CD2 3.38Å; H429-F432 PolarHBondContact O-N 2.88Å; H429-S433 VanDerWaalsContact CA-OG 3.31Å; H429-S433 WeakPolarHBondContact CA-OG 3.5Å; H429-S433 PolarHBondContact N-OG 3.49Å; H429-S433 PolarHBondContact O-N 2.94Å; H429-S433 VanDerWaalsContact O-N 3.13Å
430G97.1Very high97.6Very high2 Ų242.4 Ų42.42%0.02122%0.22CC..Hα-helixtrans44.3-123178.700000113.7E86 F432 S433 F434E86-G430 PolarHBondContact OE1-N 3.01Å; E86-G430 PolarHBondContact OE2-N 3.05Å; G430-F432 VanDerWaalsContact C-N 3.27Å; G430-F432 PolarHBondContact O-N 3.35Å; G430-S433 WeakPolarHBondContact O-CB 3.27Å; G430-S433 PolarHBondContact O-N 2.97Å; G430-F434 PolarHBondContact O-N 3.38Å
431K98Very high97.7Very high78 Ų7844.3 Ų44.334%0.33922%0.223SC..Hα-helixtrans-64.1-32.9178.7-172.5-174.6178.8-540112.2W97 H429 S433 F434 D435W97-K431 HydrophobicContact CD2-CB 4.34Å; W97-K431 HydrophobicContact CD2-CG 4.22Å; W97-K431 HydrophobicContact CG-CG 4.21Å; W97-K431 HydrophobicContact CH2-CB 4.47Å; W97-K431 HydrophobicContact CZ2-CB 3.76Å; W97-K431 HydrophobicContact CZ2-CG 4.5Å; H429-K431 PolarHBondContact O-N 3.3Å; K431-S433 VanDerWaalsContact C-N 3.29Å; K431-S433 PolarHBondContact O-N 3.47Å; K431-F434 WeakPolarHBondContact O-CB 3.41Å; K431-F434 PolarHBondContact O-N 2.85Å; K431-F434 VanDerWaalsContact O-N 3.14Å; K431-D435 IonicContact NZ-OD1 3.32Å; K431-D435 PolarHBondContact NZ-OD1 3.24Å; K431-D435 IonicContact NZ-OD2 2.8Å; K431-D435 PolarHBondContact NZ-OD2 2.89Å; K431-D435 PolarHBondContact O-N 2.94Å
432F98.4Very high97.9Very high49 Ų4946.8 Ų46.822%0.21523%0.233CC..Hα-helixtrans-65.9-34.8-178.9-53.9-76.1000111.4P416 R427 H429 G430 D435 T436P416-F432 HydrophobicContact CB-CD1 4.02Å; P416-F432 HydrophobicContact CB-CD2 3.87Å; P416-F432 HydrophobicContact CB-CE1 4.01Å; P416-F432 HydrophobicContact CB-CE2 3.89Å; P416-F432 HydrophobicContact CB-CG 3.93Å; P416-F432 HydrophobicContact CB-CZ 3.94Å; P416-F432 HydrophobicContact CG-CE1 4.41Å; P416-F432 HydrophobicContact CG-CE2 4.32Å; P416-F432 HydrophobicContact CG-CZ 4.12Å; P416-F432 VanDerWaalsContact N-CE2 3.33Å; R427-F432 HydrophobicContact CG-CB 4.21Å; R427-F432 HydrophobicContact CG-CD1 4.47Å; H429-F432 WeakPolarHBondContact O-CA 3.36Å; H429-F432 VanDerWaalsContact O-CB 3.26Å; H429-F432 WeakPolarHBondContact O-CB 3.35Å; H429-F432 WeakPolarHBondContact O-CD2 3.38Å; H429-F432 PolarHBondContact O-N 2.88Å; G430-F432 VanDerWaalsContact C-N 3.27Å; G430-F432 PolarHBondContact O-N 3.35Å; F432-D435 PolarHBondContact O-N 3.04Å; F432-T436 WeakPolarHBondContact O-CB 3.34Å; F432-T436 PolarHBondContact O-N 3.4Å; F432-T436 PolarHBondContact O-OG1 2.89Å; F432-T436 VanDerWaalsContact O-OG1 3.11Å
433S98.5Very high98Very high1 Ų142.6 Ų42.61%0.00722%0.221CC..Hα-helixtrans-58.5-50.3169.2-67.70000111.4Y428 H429 G430 K431 D435 T436 F437Y428-S433 WeakPolarHBondContact CB-OG 3.47Å; H429-S433 VanDerWaalsContact CA-OG 3.31Å; H429-S433 WeakPolarHBondContact CA-OG 3.5Å; H429-S433 PolarHBondContact N-OG 3.49Å; H429-S433 PolarHBondContact O-N 2.94Å; H429-S433 VanDerWaalsContact O-N 3.13Å; G430-S433 WeakPolarHBondContact O-CB 3.27Å; G430-S433 PolarHBondContact O-N 2.97Å; K431-S433 VanDerWaalsContact C-N 3.29Å; K431-S433 PolarHBondContact O-N 3.47Å; S433-D435 VanDerWaalsContact C-N 3.33Å; S433-D435 PolarHBondContact O-N 3.19Å; S433-T436 PolarHBondContact O-N 2.8Å; S433-F437 WeakPolarHBondContact O-CD2 3.48Å; S433-F437 PolarHBondContact O-N 3.29Å
434F98.7Very high98Very high1 Ų147.4 Ų47.40%0.00425%0.246CC..Hα-helixtrans-58.5-44.5178.1172.8-88.7000112L94 W97 K118 A146 A147 G430 K431 F437 S438L94-F434 HydrophobicContact CD1-CD2 4.05Å; L94-F434 HydrophobicContact CD1-CE2 3.8Å; W97-F434 HydrophobicContact CB-CD1 3.82Å; W97-F434 HydrophobicContact CB-CD2 4.3Å; W97-F434 HydrophobicContact CB-CE1 3.87Å; W97-F434 HydrophobicContact CB-CE2 4.34Å; W97-F434 HydrophobicContact CB-CG 4.06Å; W97-F434 HydrophobicContact CB-CZ 4.14Å; W97-F434 HydrophobicContact CD2-CB 4.36Å; W97-F434 HydrophobicContact CD2-CG 4.46Å; W97-F434 HydrophobicContact CE3-CB 3.64Å; W97-F434 HydrophobicContact CE3-CD2 4.19Å; W97-F434 AromaticContact CE3-CG 3.92Å; W97-F434 HydrophobicContact CE3-CG 3.92Å; W97-F434 HydrophobicContact CZ3-CB 4.05Å; W97-F434 WeakPolarHBondContact O-CE1 3.41Å; K118-F434 HydrophobicContact CB-CE1 4.09Å; K118-F434 HydrophobicContact CB-CZ 4.09Å; K118-F434 HydrophobicContact CG-CE1 4.08Å; A146-F434 HydrophobicContact CB-CD2 4.24Å; A147-F434 HydrophobicContact CB-CD2 4.21Å; A147-F434 HydrophobicContact CB-CE2 4.39Å; G430-F434 PolarHBondContact O-N 3.38Å; K431-F434 WeakPolarHBondContact O-CB 3.41Å; K431-F434 PolarHBondContact O-N 2.85Å; K431-F434 VanDerWaalsContact O-N 3.14Å; F434-F437 PolarHBondContact O-N 2.74Å; F434-S438 VanDerWaalsContact O-CB 3.24Å; F434-S438 WeakPolarHBondContact O-CB 3.48Å; F434-S438 PolarHBondContact O-N 3.16Å; F434-S438 PolarHBondContact O-OG 2.96Å
435D98.4Very high97.9Very high36 Ų3653.4 Ų53.419%0.19327%0.272CS..Hα-helixtrans-65.4-44.1179.8-67.1-16.4000111.4K431 F432 S433 F437 S438K431-D435 IonicContact NZ-OD1 3.32Å; K431-D435 PolarHBondContact NZ-OD1 3.24Å; K431-D435 IonicContact NZ-OD2 2.8Å; K431-D435 PolarHBondContact NZ-OD2 2.89Å; K431-D435 PolarHBondContact O-N 2.94Å; F432-D435 PolarHBondContact O-N 3.04Å; S433-D435 VanDerWaalsContact C-N 3.33Å; S433-D435 PolarHBondContact O-N 3.19Å; D435-F437 PolarHBondContact O-N 2.76Å; D435-S438 PolarHBondContact O-N 2.87Å
436T98.7Very high97.7Very high26 Ų2654 Ų5416%0.1627%0.27CS..Hα-helixtrans-59.5-36.1178.8-74.70000112.5T224 R427 F432 S433T224-T436 HydrophobicContact CG2-CG2 4.49Å; T224-T436 WeakPolarHBondContact OG1-CG2 3.41Å; R427-T436 WeakPolarHBondContact O-CB 3.41Å; R427-T436 PolarHBondContact O-OG1 3.46Å; F432-T436 WeakPolarHBondContact O-CB 3.34Å; F432-T436 PolarHBondContact O-N 3.4Å; F432-T436 PolarHBondContact O-OG1 2.89Å; F432-T436 VanDerWaalsContact O-OG1 3.11Å; S433-T436 PolarHBondContact O-N 2.8Å
437F98.8Very high97.4Very high0 Ų053.6 Ų53.60%026%0.26CS..THydrogen-bonded Turntrans-95.213.7178.4-63.3-65.1000113.9V124 P140 A144 A147 N149 H199 F201 S433 F434 D435V124-F437 HydrophobicContact CG1-CD1 3.89Å; V124-F437 HydrophobicContact CG1-CE1 3.51Å; V124-F437 HydrophobicContact CG1-CZ 4.46Å; V124-F437 HydrophobicContact CG2-CD1 3.99Å; V124-F437 HydrophobicContact CG2-CE1 4.46Å; P140-F437 HydrophobicContact CB-CE2 4.14Å; P140-F437 HydrophobicContact CB-CZ 4.02Å; P140-F437 WeakPolarHBondContact O-CE2 3.48Å; A144-F437 HydrophobicContact CB-CB 4.46Å; A144-F437 HydrophobicContact CB-CD1 4.14Å; A144-F437 HydrophobicContact CB-CD2 4.04Å; A144-F437 HydrophobicContact CB-CE1 4.39Å; A144-F437 HydrophobicContact CB-CE2 4.29Å; A144-F437 HydrophobicContact CB-CG 3.96Å; A144-F437 HydrophobicContact CB-CZ 4.45Å; A144-F437 VanDerWaalsContact N-CD2 3.29Å; A147-F437 HydrophobicContact CB-CB 3.75Å; A147-F437 WeakPolarHBondContact CB-O 3.48Å; N149-F437 PolarHBondContact ND2-O 2.92Å; H199-F437 AromaticContact CD2-CE1 3.94Å; F201-F437 HydrophobicContact CB-CE1 4.2Å; F201-F437 HydrophobicContact CB-CZ 4.04Å; F201-F437 HydrophobicContact CD2-CE1 4.3Å; F201-F437 HydrophobicContact CD2-CE2 4.4Å; F201-F437 AromaticContact CD2-CZ 3.6Å; F201-F437 HydrophobicContact CD2-CZ 3.6Å; F201-F437 HydrophobicContact CE2-CZ 4.41Å; F201-F437 HydrophobicContact CG-CZ 4.08Å; S433-F437 WeakPolarHBondContact O-CD2 3.48Å; S433-F437 PolarHBondContact O-N 3.29Å; F434-F437 PolarHBondContact O-N 2.74Å; D435-F437 PolarHBondContact O-N 2.76Å
438S98.6Very high97Very high13 Ų1356.5 Ų56.59%0.09128%0.279CS..EExtended strand (participates in β ladder)trans-123.3140.5177.1-62.50000111.9Q119 A147 F434 D435Q119-S438 CarbonylContact O-C 3.51Å; Q119-S438 WeakPolarHBondContact O-CA 3.47Å; A147-S438 WeakPolarHBondContact CB-OG 3.14Å; F434-S438 VanDerWaalsContact O-CB 3.24Å; F434-S438 WeakPolarHBondContact O-CB 3.48Å; F434-S438 PolarHBondContact O-N 3.16Å; F434-S438 PolarHBondContact O-OG 2.96Å; D435-S438 PolarHBondContact O-N 2.87Å
439H98.2Very high96.7Very high101 Ų10164.1 Ų64.147%0.46831%0.309SS..EExtended strand (participates in β ladder)trans-87.5127.6164.1178.262.5000111K118 Q119 L121 K441K118-H439 WeakPolarHBondContact CA-O 3.34Å; Q119-H439 PolarHBondContact N-O 3.04Å; Q119-H439 PolarHBondContact O-N 3.41Å; L121-H439 HydrophobicContact CD2-CB 3.84Å; H439-K441 PolarHBondContact O-N 3.11Å
440E97.7Very high96Very high101 Ų10164.9 Ų64.947%0.47232%0.32SS..EExtended strand (participates in β ladder)trans-84.995.8170-70.2-159.5135.700111.1I116I116-E440 HydrophobicContact CG2-CB 3.68Å; I116-E440 HydrophobicContact CG2-CG 4.05Å
441K98Very high95.6Very high96 Ų9669 Ų6942%0.41734%0.338SS..EExtended strand (participates in β ladder)trans-82.4121.4176.8178.2172.7-179.6173.40111I116 T117 H439 V443I116-K441 WeakPolarHBondContact CA-O 3.41Å; T117-K441 PolarHBondContact N-O 2.83Å; T117-K441 PolarHBondContact O-N 3.48Å; H439-K441 PolarHBondContact O-N 3.11Å; K441-V443 HydrophobicContact CG-CG2 4.3Å
442S97.8Very high95Very high101 Ų10173.9 Ų73.971%0.70636%0.359SS*.EExtended strand (participates in β ladder)trans-73.1130.5170.3-68.10000111.2
443V97.9Very high94.4Very high33 Ų3374.2 Ų74.220%0.236%0.363CS..EExtended strand (participates in β ladder)trans-126.5117177.1-175.40000109.7A114 F115 T117 K441 K445A114-V443 WeakPolarHBondContact CA-O 3.3Å; F115-V443 HydrophobicContact CD2-CB 4.02Å; F115-V443 HydrophobicContact CD2-CG2 4.39Å; F115-V443 HydrophobicContact CE1-CB 4.21Å; F115-V443 HydrophobicContact CE1-CG1 3.85Å; F115-V443 HydrophobicContact CE2-CB 3.71Å; F115-V443 HydrophobicContact CE2-CG1 3.85Å; F115-V443 HydrophobicContact CE2-CG2 3.96Å; F115-V443 HydrophobicContact CG-CB 4.43Å; F115-V443 HydrophobicContact CZ-CB 3.81Å; F115-V443 HydrophobicContact CZ-CG1 3.44Å; F115-V443 VanDerWaalsContact CZ-CG1 3.44Å; F115-V443 HydrophobicContact CZ-CG2 4.41Å; F115-V443 PolarHBondContact N-O 3.47Å; F115-V443 WeakPolarHBondContact O-CA 3.36Å; F115-V443 PolarHBondContact O-N 3.2Å; T117-V443 HydrophobicContact CG2-CG2 4.16Å; K441-V443 HydrophobicContact CG-CG2 4.3Å; V443-K445 HydrophobicContact CG1-CG 4.21Å
444L96.6Very high93.8Very high102 Ų10275.1 Ų75.153%0.53437%0.368SS..EExtended strand (participates in β ladder)trans-114.3121.4170.6-17296.2000108.6Q109 D112 A114Q109-L444 HydrophobicContact CG-CD1 4.18Å; D112-L444 HydrophobicContact CB-CD1 3.93Å; D112-L444 HydrophobicContact CB-CG 4.24Å; A114-L444 HydrophobicContact CB-CD1 4.04Å
445K95.9Very high93.4Very high127 Ų12779.9 Ų79.955%0.55239%0.386SS*.EExtended strand (participates in β ladder)trans-109.2114.3172.7-60.7-177.7177.1-177.70108.4D112 S113 F115 V443D112-K445 CarbonylContact C-O 3.46Å; D112-K445 VanDerWaalsContact CA-O 3.29Å; D112-K445 WeakPolarHBondContact CA-O 3.47Å; S113-K445 PolarHBondContact N-O 3.35Å; S113-K445 PolarHBondContact O-N 3.04Å; F115-K445 HydrophobicContact CE1-CD 4.19Å; F115-K445 HydrophobicContact CE1-CG 4.47Å; V443-K445 HydrophobicContact CG1-CG 4.21Å
446R93.1Very high93Very high83 Ų8378.8 Ų78.831%0.31338%0.38SS..  trans-105.4128.8175.4173.6161.1-67.1-171.7-0.5109.6L108 D112L108-R446 PolarHBondContact O-NH2 3.49Å; D112-R446 WeakPolarHBondContact OD1-CB 3.41Å; D112-R446 WeakPolarHBondContact OD1-CG 3.36Å; D112-R446 IonicContact OD1-CZ 3.31Å; D112-R446 IonicContact OD1-NE 3.2Å; D112-R446 PolarHBondContact OD1-NE 3.37Å; D112-R446 IonicContact OD1-NH2 2.69Å; D112-R446 IonicContact OD2-CZ 2.76Å; D112-R446 IonicContact OD2-NE 2.64Å; D112-R446 PolarHBondContact OD2-NE 2.91Å; D112-R446 IonicContact OD2-NH2 3.25Å; D112-R446 PolarHBondContact OD2-NH2 3.47Å
447P91.5Very high92.6Very high32 Ų3282 Ų8221%0.20839%0.389CS..  trans-67.7154.9172.528.2-33.9000111.8L111 Y449L111-P447 HydrophobicContact CB-CG 4.03Å; L111-P447 WeakPolarHBondContact O-CD 3.43Å; P447-Y449 VanDerWaalsContact C-N 3.33Å; P447-Y449 HydrophobicContact CB-CD1 3.56Å; P447-Y449 HydrophobicContact CB-CD2 4.22Å; P447-Y449 HydrophobicContact CB-CE1 3.2Å; P447-Y449 HydrophobicContact CB-CE2 3.92Å; P447-Y449 HydrophobicContact CB-CG 4.04Å; P447-Y449 HydrophobicContact CG-CD1 4.41Å; P447-Y449 HydrophobicContact CG-CD2 4.23Å; P447-Y449 HydrophobicContact CG-CE1 3.94Å; P447-Y449 HydrophobicContact CG-CE2 3.72Å
448E90.5Very high92.4Very high189 Ų18985.7 Ų85.788%0.88340%0.404SS*.SBendtrans-74.6-23174.5-65-178.1168.200112.8
449Y90.3Very high92.2Very high164 Ų16489.4 Ų89.464%0.64343%0.427SS*.THydrogen-bonded Turntrans-76.2159.8175.163.4-102.4000111.7L111 P447 E451L111-Y449 HydrophobicContact CD1-CD2 4.48Å; L111-Y449 HydrophobicContact CD1-CE2 4.23Å; P447-Y449 VanDerWaalsContact C-N 3.33Å; P447-Y449 HydrophobicContact CB-CD1 3.56Å; P447-Y449 HydrophobicContact CB-CD2 4.22Å; P447-Y449 HydrophobicContact CB-CE1 3.2Å; P447-Y449 HydrophobicContact CB-CE2 3.92Å; P447-Y449 HydrophobicContact CB-CG 4.04Å; P447-Y449 HydrophobicContact CG-CD1 4.41Å; P447-Y449 HydrophobicContact CG-CD2 4.23Å; P447-Y449 HydrophobicContact CG-CE1 3.94Å; P447-Y449 HydrophobicContact CG-CE2 3.72Å; Y449-E451 VanDerWaalsContact C-N 3.31Å
450G83.5Confident92Very high28 Ų2889.8 Ų89.829%0.28944%0.439SS..THydrogen-bonded Turntrans80.912.4-177.900000113.6K452 L453G450-K452 PolarHBondContact O-N 2.67Å; G450-L453 WeakPolarHBondContact O-CA 3.47Å; G450-L453 WeakPolarHBondContact O-CB 3.43Å; G450-L453 PolarHBondContact O-N 3.42Å
451E88.2Confident91.8Very high87 Ų8791.4 Ų91.441%0.40744%0.444SS..G310 helixtrans-54.8-37.7179.8-178.356.4-159.400113.3Y449 L453 L454 Y458Y449-E451 VanDerWaalsContact C-N 3.31Å; E451-L453 PolarHBondContact O-N 2.93Å; E451-L454 WeakPolarHBondContact O-CB 3.12Å; E451-L454 PolarHBondContact O-N 3.12Å; E451-Y458 WeakPolarHBondContact OE1-CE2 3.32Å; E451-Y458 PolarHBondContact OE1-OH 3.06Å
452K86.6Confident91.7Very high181 Ų18190.8 Ų90.879%0.78745%0.446SS*.G310 helixtrans-58-30.7173.5-70.2-173179.2-176.60112.6G450 L454 W455G450-K452 PolarHBondContact O-N 2.67Å; K452-L454 PolarHBondContact O-N 3.05Å; K452-W455 WeakPolarHBondContact O-CB 3.44Å; K452-W455 PolarHBondContact O-N 3.34Å
453L84.4Confident91.5Very high56 Ų5693.3 Ų93.329%0.29345%0.446SS..G310 helixtrans-70-13.5177.4-58.6178.2000113.1L111 G450 E451 M456 I490 V494L111-L453 HydrophobicContact CD1-CD1 4.11Å; G450-L453 WeakPolarHBondContact O-CA 3.47Å; G450-L453 WeakPolarHBondContact O-CB 3.43Å; G450-L453 PolarHBondContact O-N 3.42Å; E451-L453 PolarHBondContact O-N 2.93Å; L453-M456 WeakPolarHBondContact O-CE 3.19Å; L453-M456 VanDerWaalsContact O-SD 3.34Å; L453-I490 HydrophobicContact CD1-CG2 3.99Å; L453-I490 HydrophobicContact CD2-CG2 3.36Å; L453-I490 HydrophobicContact CG-CG2 4.3Å; L453-V494 HydrophobicContact CD2-CG2 3.52Å
454L87.2Confident91.3Very high21 Ų2194.4 Ų94.411%0.1146%0.456CS..G310 helixtrans-96.24.1178.2-59.7176.7000112.4L108 E451 K452 M456 R457 Y458L108-L454 HydrophobicContact CD1-CD2 4.37Å; E451-L454 WeakPolarHBondContact O-CB 3.12Å; E451-L454 PolarHBondContact O-N 3.12Å; K452-L454 PolarHBondContact O-N 3.05Å; L454-M456 PolarHBondContact O-N 3.29Å; L454-R457 HydrophobicContact CB-CG 4.39Å; L454-R457 VanDerWaalsContact O-CG 3.27Å; L454-R457 WeakPolarHBondContact O-CG 3.44Å; L454-R457 PolarHBondContact O-N 2.62Å; L454-Y458 HydrophobicContact CB-CE2 4.15Å
455W88.5Confident91.2Very high101 Ų10190.8 Ų90.838%0.38344%0.435SS..G310 helixtrans-46.6-35-176.370.4-87.7000113.8K452 R457 Y458 K465 W468K452-W455 WeakPolarHBondContact O-CB 3.44Å; K452-W455 PolarHBondContact O-N 3.34Å; W455-R457 VanDerWaalsContact C-N 3.28Å; W455-R457 PolarHBondContact O-N 2.89Å; W455-Y458 PolarHBondContact O-N 3.18Å; W455-K465 HydrophobicContact CE3-CD 4.33Å; W455-K465 HydrophobicContact CE3-CG 3.87Å; W455-K465 HydrophobicContact CH2-CG 4.13Å; W455-K465 HydrophobicContact CZ3-CB 4.47Å; W455-K465 HydrophobicContact CZ3-CD 4.22Å; W455-K465 HydrophobicContact CZ3-CG 3.34Å; W455-K465 WeakPolarHBondContact O-CE 3.48Å; W455-W468 AromaticContact CH2-CD1 3.86Å; W455-W468 HydrophobicContact CZ2-CB 4.43Å; W455-W468 AromaticContact CZ2-CD1 3.54Å; W455-W468 HydrophobicContact CZ2-CG 4.08Å
456M91Very high91.1Very high13 Ų1390.8 Ų90.86%0.06444%0.436CS..G310 helixtrans-69.2-20.5-178.475.6-67.4-72.300114.4L453 L454 Y458 K465 W468 M469L453-M456 WeakPolarHBondContact O-CE 3.19Å; L453-M456 VanDerWaalsContact O-SD 3.34Å; L454-M456 PolarHBondContact O-N 3.29Å; M456-Y458 VanDerWaalsContact C-N 3.31Å; M456-K465 HydrophobicContact CB-CB 4.34Å; M456-K465 HydrophobicContact CB-CG 4.37Å; M456-W468 HydrophobicContact CB-CB 3.89Å; M456-W468 HydrophobicContact CE-CB 4.3Å; M456-W468 HydrophobicContact CG-CB 4.03Å; M456-M469 HydrophobicContact CG-CB 4.28Å
457R91.1Very high91.1Very high94 Ų9493.5 Ų93.536%0.35545%0.447SS..G310 helixtrans-80.5-15.9179.687.3-174.1175155.9-7.5113.1L454 W455 M469L454-R457 HydrophobicContact CB-CG 4.39Å; L454-R457 VanDerWaalsContact O-CG 3.27Å; L454-R457 WeakPolarHBondContact O-CG 3.44Å; L454-R457 PolarHBondContact O-N 2.62Å; W455-R457 VanDerWaalsContact C-N 3.28Å; W455-R457 PolarHBondContact O-N 2.89Å; R457-M469 HydrophobicContact CB-CE 4Å
458Y93.1Very high91Very high77 Ų7795.4 Ų95.430%0.30245%0.45SS..SBendtrans-96.1139.5-172.6-60.5-57.4000111.9E451 L454 W455 M456 K465E451-Y458 WeakPolarHBondContact OE1-CE2 3.32Å; E451-Y458 PolarHBondContact OE1-OH 3.06Å; L454-Y458 HydrophobicContact CB-CE2 4.15Å; W455-Y458 PolarHBondContact O-N 3.18Å; M456-Y458 VanDerWaalsContact C-N 3.31Å; Y458-K465 WeakPolarHBondContact O-CD 3.49Å; Y458-K465 WeakPolarHBondContact O-CE 3.33Å; Y458-K465 PolarHBondContact O-NZ 3.29Å
459P94.2Very high91Very high90 Ų9089.1 Ų89.158%0.58442%0.421SS*.SBendtrans-60.7161.3167.1-21.332.4000112.8F461P459-F461 HydrophobicContact CB-CE2 4.41Å; P459-F461 HydrophobicContact CB-CZ 4.46Å; P459-F461 HydrophobicContact CG-CE1 4.35Å; P459-F461 HydrophobicContact CG-CE2 3.91Å; P459-F461 HydrophobicContact CG-CZ 3.74Å
460P94.8Very high90.9Very high109 Ų10987 Ų8771%0.70842%0.415SS*.SBendcis-69.8147.1-7.530.2-34.6000111.1K465P460-K465 VanDerWaalsContact O-CD 3.31Å; P460-K465 WeakPolarHBondContact O-CD 3.21Å; P460-K465 WeakPolarHBondContact O-CE 3.42Å; P460-K465 PolarHBondContact O-NZ 2.93Å
461F94.1Very high91.1Very high135 Ų13587.2 Ų87.259%0.59241%0.411SS*.PPolyproline II helixtrans-89139.1-178.8-59.5-59.2000111.4P459 K465P459-F461 HydrophobicContact CB-CE2 4.41Å; P459-F461 HydrophobicContact CB-CZ 4.46Å; P459-F461 HydrophobicContact CG-CE1 4.35Å; P459-F461 HydrophobicContact CG-CE2 3.91Å; P459-F461 HydrophobicContact CG-CZ 3.74Å; F461-K465 HydrophobicContact CD1-CD 4.42Å
462D94.8Very high91Very high84 Ų8483.7 Ų83.745%0.44940%0.395SS..  trans-135.6175.5174.461.343.5000110S464 K465 F466D462-S464 PolarHBondContact O-N 3.02Å; D462-S464 WeakPolarHBondContact OD1-CA 3.36Å; D462-S464 VanDerWaalsContact OD1-CB 3.24Å; D462-S464 WeakPolarHBondContact OD1-CB 3.38Å; D462-S464 PolarHBondContact OD1-N 3.17Å; D462-K465 PolarHBondContact O-N 3Å; D462-K465 PolarHBondContact OD1-N 3.31Å; D462-F466 PolarHBondContact O-N 3.46Å
463E95.1Very high90.9Very high154 Ų15480.6 Ų80.672%0.7238%0.382SS*.Hα-helixtrans-58.7-32.8179.8-71.8-62.5154.200113.2Y467E463-Y467 WeakPolarHBondContact O-CB 3.23Å; E463-Y467 PolarHBondContact O-N 3.2Å
464S92.9Very high90.8Very high56 Ų5682.8 Ų82.839%0.39239%0.389SS..Hα-helixtrans-69.8-46.6178.6-171.70000110.8D462 F466 Y467 W468D462-S464 PolarHBondContact O-N 3.02Å; D462-S464 WeakPolarHBondContact OD1-CA 3.36Å; D462-S464 VanDerWaalsContact OD1-CB 3.24Å; D462-S464 WeakPolarHBondContact OD1-CB 3.38Å; D462-S464 PolarHBondContact OD1-N 3.17Å; S464-F466 VanDerWaalsContact C-N 3.33Å; S464-F466 PolarHBondContact O-N 2.77Å; S464-Y467 PolarHBondContact O-N 3.05Å; S464-W468 VanDerWaalsContact O-CD1 3.24Å; S464-W468 PolarHBondContact O-N 3.34Å
465K94.3Very high90.2Very high25 Ų2588.1 Ų88.111%0.10942%0.423CS..Hα-helixtrans-61.2-43.3174.6-68.7-167.3179.4171.60111.3W455 M456 Y458 P460 F461 D462 W468 M469W455-K465 HydrophobicContact CE3-CD 4.33Å; W455-K465 HydrophobicContact CE3-CG 3.87Å; W455-K465 HydrophobicContact CH2-CG 4.13Å; W455-K465 HydrophobicContact CZ3-CB 4.47Å; W455-K465 HydrophobicContact CZ3-CD 4.22Å; W455-K465 HydrophobicContact CZ3-CG 3.34Å; W455-K465 WeakPolarHBondContact O-CE 3.48Å; M456-K465 HydrophobicContact CB-CB 4.34Å; M456-K465 HydrophobicContact CB-CG 4.37Å; Y458-K465 WeakPolarHBondContact O-CD 3.49Å; Y458-K465 WeakPolarHBondContact O-CE 3.33Å; Y458-K465 PolarHBondContact O-NZ 3.29Å; P460-K465 VanDerWaalsContact O-CD 3.31Å; P460-K465 WeakPolarHBondContact O-CD 3.21Å; P460-K465 WeakPolarHBondContact O-CE 3.42Å; P460-K465 PolarHBondContact O-NZ 2.93Å; F461-K465 HydrophobicContact CD1-CD 4.42Å; D462-K465 PolarHBondContact O-N 3Å; D462-K465 PolarHBondContact OD1-N 3.31Å; K465-W468 PolarHBondContact O-N 3.45Å; K465-M469 WeakPolarHBondContact O-CB 3.5Å; K465-M469 PolarHBondContact O-N 3.01Å
466F93.2Very high89.1Confident127 Ų12791.3 Ų91.356%0.55744%0.435SS*.Hα-helixtrans-58.6-48.9175.3177-104.6000111.6D462 S464 W468 M469 K470D462-F466 PolarHBondContact O-N 3.46Å; S464-F466 VanDerWaalsContact C-N 3.33Å; S464-F466 PolarHBondContact O-N 2.77Å; F466-W468 PolarHBondContact O-N 3.06Å; F466-M469 PolarHBondContact O-N 3.45Å; F466-K470 HydrophobicContact CE1-CD 4.31Å; F466-K470 HydrophobicContact CZ-CD 4.35Å; F466-K470 WeakPolarHBondContact O-CB 3.22Å; F466-K470 PolarHBondContact O-N 3.38Å
467Y93.7Very high87.5Confident140 Ų14095.3 Ų95.355%0.54946%0.462SS..Hα-helixtrans-57.1-48.8177.3174.5-92.9000112.2E463 S464 T471E463-Y467 WeakPolarHBondContact O-CB 3.23Å; E463-Y467 PolarHBondContact O-N 3.2Å; S464-Y467 PolarHBondContact O-N 3.05Å; Y467-T471 WeakPolarHBondContact O-CB 3.41Å; Y467-T471 PolarHBondContact O-N 2.95Å; Y467-T471 PolarHBondContact O-OG1 3.25Å
468W90.5Very high85.9Confident73 Ų7392.6 Ų92.628%0.27746%0.455SS..Hα-helixtrans-71.4-41.7-177.7-79.4112.2000112.5W455 M456 S464 K465 F466 T471 V472 L493W455-W468 AromaticContact CH2-CD1 3.86Å; W455-W468 HydrophobicContact CZ2-CB 4.43Å; W455-W468 AromaticContact CZ2-CD1 3.54Å; W455-W468 HydrophobicContact CZ2-CG 4.08Å; M456-W468 HydrophobicContact CB-CB 3.89Å; M456-W468 HydrophobicContact CE-CB 4.3Å; M456-W468 HydrophobicContact CG-CB 4.03Å; S464-W468 VanDerWaalsContact O-CD1 3.24Å; S464-W468 PolarHBondContact O-N 3.34Å; K465-W468 PolarHBondContact O-N 3.45Å; F466-W468 PolarHBondContact O-N 3.06Å; W468-T471 HydrophobicContact CE3-CG2 4.44Å; W468-T471 HydrophobicContact CZ3-CG2 4.46Å; W468-T471 WeakPolarHBondContact O-CA 3.45Å; W468-T471 WeakPolarHBondContact O-CB 3.39Å; W468-T471 PolarHBondContact O-N 3.48Å; W468-V472 WeakPolarHBondContact O-CG2 3.26Å; W468-V472 PolarHBondContact O-N 3.2Å; W468-L493 HydrophobicContact CH2-CD1 3.7Å; W468-L493 HydrophobicContact CZ2-CD1 3.71Å
469M89.2Confident84.1Confident57 Ų5791.8 Ų91.828%0.28146%0.46SS..Hα-helixtrans-59.5-49.3174.7-165.7171.8-146.400110.1M456 R457 K465 F466 T471 V472 F473M456-M469 HydrophobicContact CG-CB 4.28Å; R457-M469 HydrophobicContact CB-CE 4Å; K465-M469 WeakPolarHBondContact O-CB 3.5Å; K465-M469 PolarHBondContact O-N 3.01Å; F466-M469 PolarHBondContact O-N 3.45Å; M469-T471 PolarHBondContact O-N 3.4Å; M469-V472 WeakPolarHBondContact O-CG2 3.47Å; M469-V472 PolarHBondContact O-N 2.91Å; M469-F473 HydrophobicContact CE-CE2 3.76Å; M469-F473 HydrophobicContact CE-CZ 4.18Å; M469-F473 HydrophobicContact CG-CD2 3.71Å; M469-F473 HydrophobicContact CG-CE2 3.59Å; M469-F473 WeakPolarHBondContact O-CB 3.16Å; M469-F473 WeakPolarHBondContact O-CD2 3.45Å; M469-F473 PolarHBondContact O-N 3.25Å; M469-F473 HydrophobicContact SD-CE2 4.44Å
470K87.5Confident82.1Confident119 Ų11995.7 Ų95.752%0.51747%0.47SS..Hα-helixtrans-55.8-38.2173.2-176.2177.9-176.8175.40112.1F466 K474F466-K470 HydrophobicContact CE1-CD 4.31Å; F466-K470 HydrophobicContact CZ-CD 4.35Å; F466-K470 WeakPolarHBondContact O-CB 3.22Å; F466-K470 PolarHBondContact O-N 3.38Å; K470-K474 WeakPolarHBondContact O-CG 3.47Å; K470-K474 PolarHBondContact O-N 2.96Å
471T87.7Confident79.8Confident32 Ų3298 Ų9820%0.19647%0.474CS..Hα-helixtrans-70.5-44.9-178.9-630000112.7Y467 W468 M469 K474Y467-T471 WeakPolarHBondContact O-CB 3.41Å; Y467-T471 PolarHBondContact O-N 2.95Å; Y467-T471 PolarHBondContact O-OG1 3.25Å; W468-T471 HydrophobicContact CE3-CG2 4.44Å; W468-T471 HydrophobicContact CZ3-CG2 4.46Å; W468-T471 WeakPolarHBondContact O-CA 3.45Å; W468-T471 WeakPolarHBondContact O-CB 3.39Å; W468-T471 PolarHBondContact O-N 3.48Å; M469-T471 PolarHBondContact O-N 3.4Å; T471-K474 PolarHBondContact O-N 3.14Å
472V87.7Confident77.7Confident13 Ų1395.2 Ų95.28%0.07946%0.464CS..Hα-helixtrans-75.4-26.7-179.3-57.80000113L107 L108 W468 M469L107-V472 HydrophobicContact CD2-CG1 3.95Å; L107-V472 HydrophobicContact CG-CG1 4.16Å; L108-V472 HydrophobicContact CB-CB 4.24Å; L108-V472 HydrophobicContact CB-CG2 4.3Å; L108-V472 HydrophobicContact CD1-CG2 4.04Å; L108-V472 PolarHBondContact N-O 3.08Å; W468-V472 WeakPolarHBondContact O-CG2 3.26Å; W468-V472 PolarHBondContact O-N 3.2Å; M469-V472 WeakPolarHBondContact O-CG2 3.47Å; M469-V472 PolarHBondContact O-N 2.91Å
473F84.4Confident75.5Confident117 Ų11794.3 Ų94.351%0.51346%0.459SS..Hα-helixtrans-75.6-21.4175-89.9-102.6000113.8L108 M469 T475L108-F473 HydrophobicContact CD2-CD2 4.12Å; L108-F473 HydrophobicContact CD2-CE1 4.32Å; L108-F473 HydrophobicContact CD2-CE2 3.81Å; L108-F473 HydrophobicContact CD2-CZ 3.92Å; M469-F473 HydrophobicContact CE-CE2 3.76Å; M469-F473 HydrophobicContact CE-CZ 4.18Å; M469-F473 HydrophobicContact CG-CD2 3.71Å; M469-F473 HydrophobicContact CG-CE2 3.59Å; M469-F473 WeakPolarHBondContact O-CB 3.16Å; M469-F473 WeakPolarHBondContact O-CD2 3.45Å; M469-F473 PolarHBondContact O-N 3.25Å; M469-F473 HydrophobicContact SD-CE2 4.44Å; F473-T475 PolarHBondContact O-N 3.15Å
474K82.7Confident73.4Confident101 Ų10192.2 Ų92.244%0.43946%0.456SS..SBendtrans-56.6134.8177.8-85.1176.5-177.5-176.30110.1K470 T471 R476K470-K474 WeakPolarHBondContact O-CG 3.47Å; K470-K474 PolarHBondContact O-N 2.96Å; T471-K474 PolarHBondContact O-N 3.14Å; K474-R476 PolarHBondContact O-N 3.02Å
475T73.2Confident71.3Confident134 Ų13494.6 Ų94.682%0.82246%0.464SS*.  trans-65.972.1169.933.70000110.3F473 P477F473-T475 PolarHBondContact O-N 3.15Å; T475-P477 WeakPolarHBondContact O-CD 3.45Å
476R65.5Low69.3Low167 Ų16794.2 Ų94.263%0.6347%0.466SS*.  trans-101.3100163.7-71.7-173.4173.9-178-2106.6K474 L478K474-R476 PolarHBondContact O-N 3.02Å; R476-L478 PolarHBondContact O-N 2.82Å; R476-L478 VanDerWaalsContact O-N 3.14Å
477P58.1Low67.5Low98 Ų9890.7 Ų90.764%0.63646%0.46SS*.  trans-57124.5170.122.5-29.8000107.7T475 S479T475-P477 WeakPolarHBondContact O-CD 3.45Å; P477-S479 VanDerWaalsContact C-N 3.32Å; P477-S479 PolarHBondContact O-N 3.1Å
478L57.6Low65.5Low37 Ų3787.3 Ų87.319%0.19446%0.457CS..  trans-71.293.4172.6-71.5163000107.4N106 L110 R476 I483 A486N106-L478 WeakPolarHBondContact O-CD1 3.48Å; L110-L478 HydrophobicContact CB-CD1 4.37Å; L110-L478 HydrophobicContact CD1-CD1 3.5Å; L110-L478 VanDerWaalsContact CD1-CD1 3.5Å; R476-L478 PolarHBondContact O-N 2.82Å; R476-L478 VanDerWaalsContact O-N 3.14Å; L478-I483 HydrophobicContact CB-CG1 4.26Å; L478-A486 HydrophobicContact CD2-CB 4.36Å
479S54Low63.7Low59 Ų5990.9 Ų90.941%0.41347%0.474SS..  trans-63.8152.116168.60000108.7P477 M481 N482 I483P477-S479 VanDerWaalsContact C-N 3.32Å; P477-S479 PolarHBondContact O-N 3.1Å; S479-M481 PolarHBondContact O-N 2.98Å; S479-N482 PolarHBondContact O-N 3.17Å; S479-N482 PolarHBondContact OG-ND2 2.84Å; S479-I483 PolarHBondContact O-N 2.85Å
480H53.2Low62Low172 Ų17290.2 Ų90.280%0.79647%0.471SS*.Hα-helixtrans-52.2-33.5-178-83.839.3000112.8I483H480-I483 PolarHBondContact O-N 3.22Å
481M46.7Very low60.4Low159 Ų15986.3 Ų86.378%0.78347%0.465SS*.Hα-helixtrans-68.9-31.7177.4-128.1162.582.400113.5S479S479-M481 PolarHBondContact O-N 2.98Å
482N49.2Very low58.6Low75 Ų7588 Ų8840%0.40148%0.479SS..Hα-helixtrans-78.5-18.9179.4-74.9-23.1000113.1S479 V484 L485 A486S479-N482 PolarHBondContact O-N 3.17Å; S479-N482 PolarHBondContact OG-ND2 2.84Å; N482-V484 VanDerWaalsContact C-N 3.33Å; N482-V484 PolarHBondContact O-N 2.77Å; N482-L485 PolarHBondContact O-N 3.06Å; N482-A486 VanDerWaalsContact O-CB 3.29Å; N482-A486 WeakPolarHBondContact O-CB 3.13Å; N482-A486 PolarHBondContact O-N 3.11Å
483I49.7Very low56.7Low65 Ų6591.1 Ų91.133%0.33349%0.494SS..Hα-helixtrans-62.7-41.8178.7-62.3175.6000110.5L478 S479 H480 A486 A487L478-I483 HydrophobicContact CB-CG1 4.26Å; S479-I483 PolarHBondContact O-N 2.85Å; H480-I483 PolarHBondContact O-N 3.22Å; I483-A486 PolarHBondContact O-N 3.27Å; I483-A487 VanDerWaalsContact O-CB 3.24Å; I483-A487 WeakPolarHBondContact O-CB 3.37Å; I483-A487 PolarHBondContact O-N 3.21Å
484V49.8Very low55.1Low110 Ų11089.6 Ų89.667%0.66750%0.495SS*.Hα-helixtrans-65.2-43.9-179.6-178.90000111.4N482 S488N482-V484 VanDerWaalsContact C-N 3.33Å; N482-V484 PolarHBondContact O-N 2.77Å; V484-S488 PolarHBondContact O-N 2.97Å
485L49.2Very low53.3Low107 Ų10793.3 Ų93.356%0.5651%0.513SS*.Hα-helixtrans-71.9-35.2179.3-79161.6000113.2N482 S488 K489N482-L485 PolarHBondContact O-N 3.06Å; L485-S488 PolarHBondContact O-OG 3.1Å; L485-S488 VanDerWaalsContact O-OG 3.04Å; L485-K489 PolarHBondContact O-N 3.49Å; L485-K489 VanDerWaalsContact O-N 3.16Å
486A53Low51.6Low17 Ų1797 Ų9714%0.1452%0.521CS..Hα-helixtrans-70.6-42.1175.800000111.1L107 L478 N482 I483 S488 K489 I490L107-A486 HydrophobicContact CD1-CB 3.92Å; L478-A486 HydrophobicContact CD2-CB 4.36Å; N482-A486 VanDerWaalsContact O-CB 3.29Å; N482-A486 WeakPolarHBondContact O-CB 3.13Å; N482-A486 PolarHBondContact O-N 3.11Å; I483-A486 PolarHBondContact O-N 3.27Å; A486-S488 VanDerWaalsContact C-N 3.33Å; A486-S488 PolarHBondContact O-N 3.49Å; A486-K489 PolarHBondContact O-N 3.3Å; A486-I490 WeakPolarHBondContact O-CB 3.44Å; A486-I490 VanDerWaalsContact O-CG1 3.27Å; A486-I490 WeakPolarHBondContact O-CG1 3.48Å; A486-I490 PolarHBondContact O-N 2.85Å
487A54Low50.9Low52 Ų5293.5 Ų93.543%0.4352%0.516SS..Hα-helixtrans-62.4-38.9175.400000111.9I483 I490 G491I483-A487 VanDerWaalsContact O-CB 3.24Å; I483-A487 WeakPolarHBondContact O-CB 3.37Å; I483-A487 PolarHBondContact O-N 3.21Å; A487-I490 PolarHBondContact O-N 3.28Å; A487-G491 PolarHBondContact O-N 3.28Å
488S52.8Low50.5Low70 Ų7093.2 Ų93.249%0.4951%0.509SS..Hα-helixtrans-67.6-42.8176.874.80000112.7V484 L485 A486 I490 G491 S492V484-S488 PolarHBondContact O-N 2.97Å; L485-S488 PolarHBondContact O-OG 3.1Å; L485-S488 VanDerWaalsContact O-OG 3.04Å; A486-S488 VanDerWaalsContact C-N 3.33Å; A486-S488 PolarHBondContact O-N 3.49Å; S488-I490 VanDerWaalsContact C-N 3.33Å; S488-I490 PolarHBondContact O-N 2.85Å; S488-G491 PolarHBondContact O-N 3.08Å; S488-S492 PolarHBondContact O-N 3.4Å; S488-S492 VanDerWaalsContact O-N 3.1Å; S488-S492 PolarHBondContact O-OG 2.96Å
489K52.5Low50.1Low147 Ų14796.3 Ų96.364%0.63953%0.527SS*.Hα-helixtrans-66.2-33.2176.2-81.8-173.3174.9-174.70113.4L485 A486 S492 L493L485-K489 PolarHBondContact O-N 3.49Å; L485-K489 VanDerWaalsContact O-N 3.16Å; A486-K489 PolarHBondContact O-N 3.3Å; K489-S492 PolarHBondContact O-OG 2.76Å; K489-S492 VanDerWaalsContact O-OG 3.04Å; K489-L493 WeakPolarHBondContact O-CD1 3.33Å; K489-L493 WeakPolarHBondContact O-CG 3.22Å
490I54.5Low49.9Very low43 Ų4398.5 Ų98.522%0.22153%0.534CS..Hα-helixtrans-75.9-41.9175.6-70169.6000110.3L107 L110 L453 A486 A487 S488 S492 L493 V494L107-I490 HydrophobicContact CD1-CD1 3.92Å; L110-I490 HydrophobicContact CD2-CD1 3.92Å; L453-I490 HydrophobicContact CD1-CG2 3.99Å; L453-I490 HydrophobicContact CD2-CG2 3.36Å; L453-I490 HydrophobicContact CG-CG2 4.3Å; A486-I490 WeakPolarHBondContact O-CB 3.44Å; A486-I490 VanDerWaalsContact O-CG1 3.27Å; A486-I490 WeakPolarHBondContact O-CG1 3.48Å; A486-I490 PolarHBondContact O-N 2.85Å; A487-I490 PolarHBondContact O-N 3.28Å; S488-I490 VanDerWaalsContact C-N 3.33Å; S488-I490 PolarHBondContact O-N 2.85Å; I490-S492 VanDerWaalsContact C-N 3.34Å; I490-S492 PolarHBondContact O-N 3.01Å; I490-L493 PolarHBondContact O-N 2.98Å; I490-V494 PolarHBondContact O-N 3.07Å
491G52Low49.7Very low38 Ų3893.9 Ų93.939%0.39252%0.517SS..Hα-helixtrans-57.5-44.317800000112.7A487 S488 L493 V494A487-G491 PolarHBondContact O-N 3.28Å; S488-G491 PolarHBondContact O-N 3.08Å; G491-L493 PolarHBondContact O-N 3.27Å; G491-L493 VanDerWaalsContact O-N 3.17Å; G491-V494 PolarHBondContact O-N 3.4Å
492S50.2Low49.9Very low68 Ų6889.6 Ų89.648%0.47650%0.499SS..Hα-helixtrans-65.4-17.717759.10000114.5S488 K489 I490S488-S492 PolarHBondContact O-N 3.4Å; S488-S492 VanDerWaalsContact O-N 3.1Å; S488-S492 PolarHBondContact O-OG 2.96Å; K489-S492 PolarHBondContact O-OG 2.76Å; K489-S492 VanDerWaalsContact O-OG 3.04Å; I490-S492 VanDerWaalsContact C-N 3.34Å; I490-S492 PolarHBondContact O-N 3.01Å
493L49.3Very low50Low77 Ų7790.6 Ų90.640%0.40351%0.506SS..Hα-helixtrans-95.6-12.8179.9-75.1170.8000113.1W468 K489 I490 G491W468-L493 HydrophobicContact CH2-CD1 3.7Å; W468-L493 HydrophobicContact CZ2-CD1 3.71Å; K489-L493 WeakPolarHBondContact O-CD1 3.33Å; K489-L493 WeakPolarHBondContact O-CG 3.22Å; I490-L493 PolarHBondContact O-N 2.98Å; G491-L493 PolarHBondContact O-N 3.27Å; G491-L493 VanDerWaalsContact O-N 3.17Å
494V49Very low50Low86 Ų8692.6 Ų92.652%0.52152%0.52SS..Hα-helixtrans-87.8-19.5173.2179.20000111.1L453 I490 G491 Q496L453-V494 HydrophobicContact CD2-CG2 3.52Å; I490-V494 PolarHBondContact O-N 3.07Å; G491-V494 PolarHBondContact O-N 3.4Å; V494-Q496 VanDerWaalsContact C-N 3.33Å
495E46.1Very low50Low178 Ų17891.2 Ų91.283%0.83251%0.507SS*.  trans-83.6-6.4173.1-71.4-175.6164.700113.7
496Q37.4Very low50.1Low211 Ų21189.7 Ų89.799%0.98650%0.503SS*.  trans-102.20166.4-68-174-10.300109.7V494V494-Q496 VanDerWaalsContact C-N 3.33Å

Retrieved 496 of 496 residues in 2341.8 ms (Link to these results)

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