A0A5K4F174_SCHMA Loading...

Aspartyl aminopeptidase

AlphaFold DB (A0A5K4F447), UniProt , Accession A0A5K4F174, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 523 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
1M65.9Low94Very high149 Ų14949.1 Ų49.173%0.73426%0.255SS*.  0138.50-170.5-178.6-63.100106.3V5 Q6 V255M1-V5 HydrophobicContact CG-CB 4.07Å; M1-V5 HydrophobicContact CG-CG1 3.81Å; M1-V5 HydrophobicContact SD-CG1 3.92Å; M1-Q6 HydrophobicContact SD-CB 3.95Å; M1-Q6 PolarHBondContact SD-OE1 3.31Å; M1-V255 HydrophobicContact CE-CB 4.05Å; M1-V255 HydrophobicContact CE-CG2 3.54Å; M1-V255 HydrophobicContact CG-CG2 4.49Å; M1-V255 HydrophobicContact SD-CG2 3.79Å
2S85.7Confident94.4Very high41 Ų4145 Ų4529%0.28723%0.234SC..  trans-71.1157.8179.884.90000111H4 V5 Q6 E477S2-H4 PolarHBondContact O-N 3.2Å; S2-V5 PolarHBondContact O-N 3.13Å; S2-V5 WeakPolarHBondContact OG-CG2 3.29Å; S2-V5 PolarHBondContact OG-N 3.18Å; S2-Q6 PolarHBondContact O-N 3.26Å; S2-E477 WeakPolarHBondContact CB-OE1 3.5Å; S2-E477 PolarHBondContact OG-OE1 3.14Å
3H94.6Very high94.7Very high136 Ų13645.7 Ų45.763%0.6324%0.238SC*.Hα-helixtrans-60.3-43.9-179.2172.3-103.5000111.7Q6 G7H3-Q6 PolarHBondContact O-N 3.36Å; H3-G7 PolarHBondContact O-N 2.86Å
4H98.2Very high94.9Very high13 Ų1352.4 Ų52.46%0.0626%0.264CS..Hα-helixtrans-75-28.6-177.2-65.1-66.7000114S2 G7 L8 Y275 H279 E283 I476 E477S2-H4 PolarHBondContact O-N 3.2Å; H4-G7 PolarHBondContact O-N 3.22Å; H4-L8 WeakPolarHBondContact O-CB 3.49Å; H4-L8 PolarHBondContact O-N 2.95Å; H4-Y275 HydrophobicContact CB-CE1 4.1Å; H4-Y275 AromaticContact ND1-CE1 3.81Å; H4-Y275 AromaticContact ND1-CZ 3.88Å; H4-Y275 PolarHBondContact ND1-OH 2.98Å; H4-Y275 VanDerWaalsContact ND1-OH 3.07Å; H4-H279 AromaticContact CE1-ND1 3.73Å; H4-H279 AromaticContact ND1-ND1 3.94Å; H4-E283 IonicContact CE1-OE1 3.65Å; H4-E283 PolarHBondContact CE1-OE1 3.38Å; H4-E283 IonicContact NE2-OE1 3.89Å; H4-E283 PolarHBondContact NE2-OE1 3.42Å; H4-I476 HydrophobicContact CB-CG1 4.1Å; H4-I476 HydrophobicContact CB-CG2 4.1Å; H4-E477 VanDerWaalsContact CB-OE1 3.32Å; H4-E477 WeakPolarHBondContact CB-OE1 3.22Å; H4-E477 IonicContact CD2-OE1 2.93Å; H4-E477 PolarHBondContact CD2-OE1 3.2Å; H4-E477 IonicContact CD2-OE2 2.99Å; H4-E477 PolarHBondContact CD2-OE2 2.81Å; H4-E477 IonicContact CG-OE1 3.22Å; H4-E477 PolarHBondContact N-OE1 3.1Å
5V98.4Very high95.1Very high6 Ų648.9 Ų48.94%0.03625%0.247CC..Hα-helixtrans-62.3-49173170.90000110.5M1 S2 G7 I9 V255 I263 S473 I476M1-V5 HydrophobicContact CG-CB 4.07Å; M1-V5 HydrophobicContact CG-CG1 3.81Å; M1-V5 HydrophobicContact SD-CG1 3.92Å; S2-V5 PolarHBondContact O-N 3.13Å; S2-V5 WeakPolarHBondContact OG-CG2 3.29Å; S2-V5 PolarHBondContact OG-N 3.18Å; V5-G7 VanDerWaalsContact C-N 3.34Å; V5-I9 HydrophobicContact CG1-CD1 4.22Å; V5-I9 WeakPolarHBondContact O-CG1 3.18Å; V5-I9 PolarHBondContact O-N 3.27Å; V5-V255 HydrophobicContact CG1-CG2 3.47Å; V5-V255 VanDerWaalsContact CG1-CG2 3.47Å; V5-I263 HydrophobicContact CB-CD1 4.5Å; V5-I263 HydrophobicContact CG1-CD1 4.03Å; V5-I263 HydrophobicContact CG1-CG1 4.22Å; V5-I263 HydrophobicContact CG2-CD1 4.3Å; V5-S473 VanDerWaalsContact CG2-O 3.24Å; V5-S473 WeakPolarHBondContact CG2-O 3.41Å; V5-I476 HydrophobicContact CB-CG2 4.45Å; V5-I476 HydrophobicContact CG2-CG2 3.63Å
6Q98.2Very high95.3Very high75 Ų7546.4 Ų46.435%0.3523%0.234SC..Hα-helixtrans-68.5-36.9177.2-17260.963.100111.6M1 S2 H3 I9 N10M1-Q6 HydrophobicContact SD-CB 3.95Å; M1-Q6 PolarHBondContact SD-OE1 3.31Å; S2-Q6 PolarHBondContact O-N 3.26Å; H3-Q6 PolarHBondContact O-N 3.36Å; Q6-I9 PolarHBondContact O-N 3.02Å; Q6-N10 PolarHBondContact NE2-OD1 2.6Å; Q6-N10 WeakPolarHBondContact O-CB 3.49Å; Q6-N10 PolarHBondContact O-N 3Å; Q6-N10 PolarHBondContact O-ND2 3.37Å; Q6-N10 PolarHBondContact O-OD1 3.16Å
7G98.4Very high95.5Very high17 Ų1743.9 Ų43.918%0.17522%0.222CC..Hα-helixtrans-59.4-49.1176.200000112.8H3 H4 V5 I9 N10 F11H3-G7 PolarHBondContact O-N 2.86Å; H4-G7 PolarHBondContact O-N 3.22Å; V5-G7 VanDerWaalsContact C-N 3.34Å; G7-I9 PolarHBondContact O-N 3.07Å; G7-N10 PolarHBondContact O-N 3.17Å; G7-F11 WeakPolarHBondContact O-CB 3.27Å; G7-F11 PolarHBondContact O-N 2.84Å
8L98.7Very high95.6Very high0 Ų042.1 Ų42.10%021%0.214CC..Hα-helixtrans-60.8-45.6177176.263.6000111.7H4 N10 F11 I12 I263 L268 F272 Y275 I476H4-L8 WeakPolarHBondContact O-CB 3.49Å; H4-L8 PolarHBondContact O-N 2.95Å; L8-N10 VanDerWaalsContact C-N 3.31Å; L8-N10 PolarHBondContact O-N 3.48Å; L8-F11 WeakPolarHBondContact O-CB 3.28Å; L8-F11 PolarHBondContact O-N 3.03Å; L8-I12 HydrophobicContact CD1-CD1 3.78Å; L8-I12 HydrophobicContact CD1-CG1 4.06Å; L8-I12 HydrophobicContact CG-CD1 3.88Å; L8-I12 HydrophobicContact CG-CG1 4.49Å; L8-I12 WeakPolarHBondContact O-CG1 3.28Å; L8-I12 PolarHBondContact O-N 3.32Å; L8-I263 HydrophobicContact CD2-CD1 4.02Å; L8-L268 HydrophobicContact CD2-CD2 4.25Å; L8-F272 HydrophobicContact CD2-CD2 3.73Å; L8-F272 HydrophobicContact CD2-CE2 4.29Å; L8-F272 HydrophobicContact CD2-CG 4.48Å; L8-Y275 HydrophobicContact CB-CD1 4.15Å; L8-Y275 HydrophobicContact CB-CE1 4.28Å; L8-Y275 HydrophobicContact CB-CG 4.3Å; L8-Y275 HydrophobicContact CD1-CD1 4.26Å; L8-Y275 HydrophobicContact CD1-CG 3.93Å; L8-I476 HydrophobicContact CB-CD1 4.46Å; L8-I476 HydrophobicContact CB-CG1 4.15Å; L8-I476 HydrophobicContact CD2-CB 4.4Å; L8-I476 HydrophobicContact CD2-CD1 3.88Å; L8-I476 HydrophobicContact CD2-CG1 3.99Å
9I98.6Very high95.8Very high8 Ų840.4 Ų40.44%0.04121%0.205CC..Hα-helixtrans-58.3-45.5177-74.4167.9000110.9V5 Q6 G7 N13 A253 V255 I263V5-I9 HydrophobicContact CG1-CD1 4.22Å; V5-I9 WeakPolarHBondContact O-CG1 3.18Å; V5-I9 PolarHBondContact O-N 3.27Å; Q6-I9 PolarHBondContact O-N 3.02Å; G7-I9 PolarHBondContact O-N 3.07Å; I9-N13 WeakPolarHBondContact O-CB 3.33Å; I9-N13 VanDerWaalsContact O-CG 3.27Å; I9-N13 PolarHBondContact O-N 2.84Å; I9-N13 PolarHBondContact O-ND2 3.21Å; I9-A253 HydrophobicContact CG1-CB 4.4Å; I9-A253 HydrophobicContact CG2-CB 4.18Å; I9-A253 VanDerWaalsContact CG2-O 3.31Å; I9-A253 WeakPolarHBondContact CG2-O 3.49Å; I9-V255 HydrophobicContact CD1-CG2 3.53Å; I9-I263 HydrophobicContact CG1-CG2 4.12Å
10N98.5Very high95.9Very high75 Ų7539.2 Ų39.240%0.40120%0.198SC..Hα-helixtrans-65.4-39.8178.8-70-12.7000111.9Q6 G7 L8 K14Q6-N10 PolarHBondContact NE2-OD1 2.6Å; Q6-N10 WeakPolarHBondContact O-CB 3.49Å; Q6-N10 PolarHBondContact O-N 3Å; Q6-N10 PolarHBondContact O-ND2 3.37Å; Q6-N10 PolarHBondContact O-OD1 3.16Å; G7-N10 PolarHBondContact O-N 3.17Å; L8-N10 VanDerWaalsContact C-N 3.31Å; L8-N10 PolarHBondContact O-N 3.48Å; N10-K14 WeakPolarHBondContact O-CB 3.42Å; N10-K14 VanDerWaalsContact O-CG 3.3Å; N10-K14 WeakPolarHBondContact O-CG 3.42Å; N10-K14 PolarHBondContact O-N 2.91Å; N10-K14 VanDerWaalsContact O-N 3.13Å
11F98.7Very high96.1Very high20 Ų2037.3 Ų37.39%0.08819%0.189CC..Hα-helixtrans-61.5-52.9176.5-175.9-109.9000111G7 L8 N13 K14 S15 V21 V25 L271 Y275G7-F11 WeakPolarHBondContact O-CB 3.27Å; G7-F11 PolarHBondContact O-N 2.84Å; L8-F11 WeakPolarHBondContact O-CB 3.28Å; L8-F11 PolarHBondContact O-N 3.03Å; F11-N13 PolarHBondContact O-N 3.05Å; F11-K14 PolarHBondContact O-N 3.07Å; F11-S15 VanDerWaalsContact O-CB 3.3Å; F11-S15 WeakPolarHBondContact O-CB 3.45Å; F11-S15 PolarHBondContact O-N 2.88Å; F11-S15 PolarHBondContact O-OG 3.48Å; F11-V21 HydrophobicContact CE1-CG1 4.41Å; F11-V21 HydrophobicContact CZ-CG1 3.78Å; F11-V25 HydrophobicContact CE2-CG2 4.1Å; F11-V25 HydrophobicContact CZ-CG2 4.12Å; F11-L271 HydrophobicContact CD1-CB 4.43Å; F11-L271 HydrophobicContact CE1-CB 4.25Å; F11-L271 HydrophobicContact CE1-CD2 4.46Å; F11-Y275 HydrophobicContact CB-CD2 3.76Å; F11-Y275 HydrophobicContact CB-CE2 4.39Å; F11-Y275 HydrophobicContact CD1-CD2 4.21Å; F11-Y275 AromaticContact CG-CD2 3.94Å; F11-Y275 HydrophobicContact CG-CD2 3.94Å
12I98.6Very high97.6Very high0 Ų030.2 Ų30.20%015%0.154CC..Hα-helixtrans-59.5-44.9179.4-67.6171.5000111.8L8 K14 S15 A253 A265 P266 R267 L268 L271L8-I12 HydrophobicContact CD1-CD1 3.78Å; L8-I12 HydrophobicContact CD1-CG1 4.06Å; L8-I12 HydrophobicContact CG-CD1 3.88Å; L8-I12 HydrophobicContact CG-CG1 4.49Å; L8-I12 WeakPolarHBondContact O-CG1 3.28Å; L8-I12 PolarHBondContact O-N 3.32Å; I12-K14 VanDerWaalsContact C-N 3.27Å; I12-K14 PolarHBondContact O-N 3.4Å; I12-S15 CarbonylContact O-C 3.46Å; I12-S15 PolarHBondContact O-N 2.85Å; I12-S15 VanDerWaalsContact O-N 3.15Å; I12-A253 HydrophobicContact CB-CB 4.46Å; I12-A253 HydrophobicContact CG2-CB 4.2Å; I12-A265 HydrophobicContact CD1-CB 3.75Å; I12-A265 HydrophobicContact CG2-CB 4.32Å; I12-P266 HydrophobicContact CG2-CG 4.05Å; I12-P266 WeakPolarHBondContact CG2-O 3.41Å; I12-R267 PolarHBondContact O-NH2 3.17Å; I12-L268 HydrophobicContact CD1-CD2 3.75Å; I12-L271 HydrophobicContact CG1-CB 4.05Å; I12-L271 HydrophobicContact CG1-CD1 4.2Å
13N98.1Very high98.3Very high54 Ų5432.2 Ų32.229%0.28916%0.159SC..Hα-helixtrans-66.1-28.6-178.8-75.8-27.4000113.1I9 F11 P252 A253I9-N13 WeakPolarHBondContact O-CB 3.33Å; I9-N13 VanDerWaalsContact O-CG 3.27Å; I9-N13 PolarHBondContact O-N 2.84Å; I9-N13 PolarHBondContact O-ND2 3.21Å; F11-N13 PolarHBondContact O-N 3.05Å; N13-P252 WeakPolarHBondContact OD1-CA 3.24Å; N13-A253 PolarHBondContact ND2-O 3.45Å; N13-A253 WeakPolarHBondContact OD1-CB 3.34Å; N13-A253 PolarHBondContact OD1-N 2.97Å
14K97.8Very high98.5Very high140 Ų14027.2 Ų27.261%0.60914%0.139SC*.Hα-helixtrans-84.9-15.9175.3-73.2179.6177.6-1740113.3N10 F11 I12 P16N10-K14 WeakPolarHBondContact O-CB 3.42Å; N10-K14 VanDerWaalsContact O-CG 3.3Å; N10-K14 WeakPolarHBondContact O-CG 3.42Å; N10-K14 PolarHBondContact O-N 2.91Å; N10-K14 VanDerWaalsContact O-N 3.13Å; F11-K14 PolarHBondContact O-N 3.07Å; I12-K14 VanDerWaalsContact C-N 3.27Å; I12-K14 PolarHBondContact O-N 3.4Å; K14-P16 VanDerWaalsContact C-CD 3.42Å; K14-P16 WeakPolarHBondContact O-CD 3.49Å
15S98Very high98.5Very high0 Ų026.6 Ų26.60%014%0.137CC..  trans-119.674.5-171.3-58.80000112.2F11 I12 T17 H20 S24 R267F11-S15 VanDerWaalsContact O-CB 3.3Å; F11-S15 WeakPolarHBondContact O-CB 3.45Å; F11-S15 PolarHBondContact O-N 2.88Å; F11-S15 PolarHBondContact O-OG 3.48Å; I12-S15 CarbonylContact O-C 3.46Å; I12-S15 PolarHBondContact O-N 2.85Å; I12-S15 VanDerWaalsContact O-N 3.15Å; S15-T17 VanDerWaalsContact C-N 3.3Å; S15-H20 PolarHBondContact OG-O 2.93Å; S15-S24 PolarHBondContact OG-OG 3.45Å; S15-R267 PolarHBondContact O-NE 2.78Å; S15-R267 VanDerWaalsContact O-NE 3.07Å; S15-R267 PolarHBondContact O-NH2 3Å; S15-R267 VanDerWaalsContact O-NH2 3.12Å
16P97.9Very high98.5Very high8 Ų828.4 Ų28.45%0.05214%0.143CC..SBendtrans-71.9-21175.930.6-38.2000113.8K14 H20 A124 A248K14-P16 VanDerWaalsContact C-CD 3.42Å; K14-P16 WeakPolarHBondContact O-CD 3.49Å; P16-H20 HydrophobicContact CG-CB 4.34Å; P16-A124 HydrophobicContact CB-CB 3.76Å; P16-A124 HydrophobicContact CG-CB 3.41Å; P16-A124 VanDerWaalsContact CG-CB 3.41Å; P16-A248 HydrophobicContact CB-CB 4Å
17T98.6Very high98.5Very high4 Ų428 Ų283%0.02515%0.145CC..SBendtrans-139161.1-178.679.40000111.1S15 F19 H20 V21 A124 C246S15-T17 VanDerWaalsContact C-N 3.3Å; T17-F19 PolarHBondContact O-N 2.89Å; T17-F19 VanDerWaalsContact O-N 3.13Å; T17-F19 PolarHBondContact OG1-N 2.94Å; T17-H20 PolarHBondContact O-N 3.26Å; T17-H20 PolarHBondContact OG1-ND1 3.32Å; T17-V21 WeakPolarHBondContact O-CG2 3.34Å; T17-V21 PolarHBondContact O-N 3.01Å; T17-A124 HydrophobicContact CG2-CB 3.76Å; T17-C246 WeakPolarHBondContact CG2-SG 3.33Å
18P98.7Very high98.5Very high11 Ų1129.5 Ų29.57%0.07115%0.147CC..Hα-helixtrans-49.1-38.3173.6-32.138000113.8H20 V21 I22 D83P18-H20 VanDerWaalsContact C-N 3.34Å; P18-H20 PolarHBondContact O-N 2.75Å; P18-V21 VanDerWaalsContact O-CB 3.31Å; P18-V21 WeakPolarHBondContact O-CB 3.25Å; P18-V21 PolarHBondContact O-N 3.45Å; P18-V21 VanDerWaalsContact O-N 3.17Å; P18-I22 PolarHBondContact O-N 3.31Å; P18-D83 HydrophobicContact CG-CB 3.93Å
19F98.7Very high98.5Very high10 Ų1029.5 Ų29.54%0.04415%0.147CC..Hα-helixtrans-62.6-39.9177.7-50.8-61.5000113.1T17 I22 Q23 E57 R126 L140 E244T17-F19 PolarHBondContact O-N 2.89Å; T17-F19 VanDerWaalsContact O-N 3.13Å; T17-F19 PolarHBondContact OG1-N 2.94Å; F19-I22 PolarHBondContact O-N 3.15Å; F19-Q23 WeakPolarHBondContact O-CB 3.41Å; F19-Q23 PolarHBondContact O-N 3.14Å; F19-E57 WeakPolarHBondContact CA-O 3.39Å; F19-E57 HydrophobicContact CD1-CB 4.34Å; F19-R126 HydrophobicContact CD2-CB 4.36Å; F19-R126 HydrophobicContact CD2-CG 4.12Å; F19-R126 VanDerWaalsContact CE1-CZ 3.49Å; F19-R126 HydrophobicContact CE2-CG 3.9Å; F19-R126 HydrophobicContact CZ-CG 4.2Å; F19-L140 HydrophobicContact CB-CD2 3.51Å; F19-L140 HydrophobicContact CG-CD2 4.34Å; F19-E244 HydrophobicContact CE2-CG 4.07Å; F19-E244 VanDerWaalsContact CZ-CD 3.48Å; F19-E244 HydrophobicContact CZ-CG 4.31Å; F19-E244 WeakPolarHBondContact CZ-OE1 3.37Å; F19-E244 WeakPolarHBondContact CZ-OE2 3.27Å
20H98.8Very high98.5Very high16 Ų1632.7 Ų32.77%0.07416%0.164CC..Hα-helixtrans-76.2-26.3176.4-64.287.3000112.6S15 P16 T17 P18 S24 G125 V141S15-H20 PolarHBondContact OG-O 2.93Å; P16-H20 HydrophobicContact CG-CB 4.34Å; T17-H20 PolarHBondContact O-N 3.26Å; T17-H20 PolarHBondContact OG1-ND1 3.32Å; P18-H20 VanDerWaalsContact C-N 3.34Å; P18-H20 PolarHBondContact O-N 2.75Å; H20-S24 WeakPolarHBondContact O-CB 3.3Å; H20-S24 PolarHBondContact O-N 3.22Å; H20-S24 VanDerWaalsContact O-N 3.11Å; H20-S24 PolarHBondContact O-OG 3.24Å; H20-G125 PolarHBondContact CE1-O 3.44Å; H20-V141 PolarHBondContact CE1-O 3.14Å; H20-V141 VanDerWaalsContact CE1-O 3.24Å; H20-V141 PolarHBondContact NE2-O 3.38Å
21V98.8Very high98.5Very high0 Ų035.2 Ų35.20%018%0.178CC..Hα-helixtrans-60.8-55.9168.4179.30000108.5F11 T17 P18 Q23 S24 V25 T82 L271F11-V21 HydrophobicContact CE1-CG1 4.41Å; F11-V21 HydrophobicContact CZ-CG1 3.78Å; T17-V21 WeakPolarHBondContact O-CG2 3.34Å; T17-V21 PolarHBondContact O-N 3.01Å; P18-V21 VanDerWaalsContact O-CB 3.31Å; P18-V21 WeakPolarHBondContact O-CB 3.25Å; P18-V21 PolarHBondContact O-N 3.45Å; P18-V21 VanDerWaalsContact O-N 3.17Å; V21-Q23 PolarHBondContact O-N 3.14Å; V21-S24 WeakPolarHBondContact O-CB 3.45Å; V21-S24 PolarHBondContact O-N 2.83Å; V21-V25 HydrophobicContact CG1-CG2 4.17Å; V21-V25 VanDerWaalsContact O-CG2 3.27Å; V21-V25 WeakPolarHBondContact O-CG2 3.39Å; V21-V25 PolarHBondContact O-N 3.17Å; V21-T82 HydrophobicContact CB-CG2 4.33Å; V21-T82 HydrophobicContact CG1-CG2 3.71Å; V21-L271 HydrophobicContact CG1-CD2 4.3Å; V21-L271 HydrophobicContact CG2-CD1 4.36Å; V21-L271 HydrophobicContact CG2-CD2 3.46Å; V21-L271 VanDerWaalsContact CG2-CD2 3.46Å
22I98.7Very high98.5Very high0 Ų037.6 Ų37.60%019%0.189CC..Hα-helixtrans-62.7-41.9-178.2-62.3-45.5000112.1P18 F19 S24 V25 R26 T54 E57 S58 V60 T82P18-I22 PolarHBondContact O-N 3.31Å; F19-I22 PolarHBondContact O-N 3.15Å; I22-S24 VanDerWaalsContact C-N 3.26Å; I22-S24 PolarHBondContact O-N 3.39Å; I22-V25 PolarHBondContact O-N 3Å; I22-V25 VanDerWaalsContact O-N 3.16Å; I22-R26 HydrophobicContact CG2-CG 4.06Å; I22-R26 WeakPolarHBondContact O-CB 3.48Å; I22-R26 VanDerWaalsContact O-CG 3.26Å; I22-R26 WeakPolarHBondContact O-CG 3.15Å; I22-R26 PolarHBondContact O-N 3.44Å; I22-T54 HydrophobicContact CG2-CG2 3.86Å; I22-E57 VanDerWaalsContact CB-O 3.32Å; I22-E57 WeakPolarHBondContact CB-O 3.35Å; I22-E57 WeakPolarHBondContact CG1-O 3.44Å; I22-S58 VanDerWaalsContact CG1-CA 3.44Å; I22-S58 WeakPolarHBondContact CG1-O 3.48Å; I22-V60 HydrophobicContact CD1-CB 3.87Å; I22-V60 HydrophobicContact CD1-CG1 3.58Å; I22-T82 HydrophobicContact CD1-CG2 4.02Å
23Q98.6Very high98.5Very high83 Ų8340.3 Ų40.339%0.38822%0.217SC..Hα-helixtrans-55.9-42.4173.3-179.459.961.700112.1F19 V21 T27 L140F19-Q23 WeakPolarHBondContact O-CB 3.41Å; F19-Q23 PolarHBondContact O-N 3.14Å; V21-Q23 PolarHBondContact O-N 3.14Å; Q23-T27 PolarHBondContact NE2-OG1 2.8Å; Q23-T27 PolarHBondContact O-N 3.44Å; Q23-T27 PolarHBondContact O-OG1 3.17Å; Q23-L140 HydrophobicContact CB-CD1 3.77Å; Q23-L140 HydrophobicContact CG-CD1 4.07Å
24S98.6Very high98.5Very high32 Ų3238.2 Ų38.222%0.22421%0.205CC..Hα-helixtrans-68.6-40.1178-61.10000112.1S15 H20 V21 I22 F28S15-S24 PolarHBondContact OG-OG 3.45Å; H20-S24 WeakPolarHBondContact O-CB 3.3Å; H20-S24 PolarHBondContact O-N 3.22Å; H20-S24 VanDerWaalsContact O-N 3.11Å; H20-S24 PolarHBondContact O-OG 3.24Å; V21-S24 WeakPolarHBondContact O-CB 3.45Å; V21-S24 PolarHBondContact O-N 2.83Å; I22-S24 VanDerWaalsContact C-N 3.26Å; I22-S24 PolarHBondContact O-N 3.39Å; S24-F28 WeakPolarHBondContact O-CB 3.11Å; S24-F28 PolarHBondContact O-N 2.87Å
25V98.9Very high98.6Very high0 Ų036.2 Ų36.20%019%0.194CC..Hα-helixtrans-66.6-44177.7176.20000110.9F11 V21 I22 F28 L29 V60 L278 L299F11-V25 HydrophobicContact CE2-CG2 4.1Å; F11-V25 HydrophobicContact CZ-CG2 4.12Å; V21-V25 HydrophobicContact CG1-CG2 4.17Å; V21-V25 VanDerWaalsContact O-CG2 3.27Å; V21-V25 WeakPolarHBondContact O-CG2 3.39Å; V21-V25 PolarHBondContact O-N 3.17Å; I22-V25 PolarHBondContact O-N 3Å; I22-V25 VanDerWaalsContact O-N 3.16Å; V25-F28 WeakPolarHBondContact O-CB 3.36Å; V25-F28 PolarHBondContact O-N 3.32Å; V25-F28 VanDerWaalsContact O-N 3.17Å; V25-L29 HydrophobicContact CG1-CD1 3.68Å; V25-L29 HydrophobicContact CG1-CG 4.1Å; V25-L29 WeakPolarHBondContact O-CB 3.39Å; V25-L29 VanDerWaalsContact O-CG 3.27Å; V25-L29 WeakPolarHBondContact O-CG 3.3Å; V25-L29 PolarHBondContact O-N 2.84Å; V25-V60 HydrophobicContact CG1-CG1 3.92Å; V25-L278 HydrophobicContact CB-CD2 4.48Å; V25-L278 HydrophobicContact CG1-CD1 4.25Å; V25-L278 HydrophobicContact CG1-CD2 4.21Å; V25-L278 HydrophobicContact CG2-CD2 4.1Å; V25-L299 HydrophobicContact CG2-CD1 3.93Å
26R98.5Very high98.6Very high44 Ų4438 Ų3817%0.16620%0.202CC..Hα-helixtrans-55.3-57.1175.4-72.6172.773.3161.65.5110.9I22 F28 L29 D30 E36 Y52 T54 E57I22-R26 HydrophobicContact CG2-CG 4.06Å; I22-R26 WeakPolarHBondContact O-CB 3.48Å; I22-R26 VanDerWaalsContact O-CG 3.26Å; I22-R26 WeakPolarHBondContact O-CG 3.15Å; I22-R26 PolarHBondContact O-N 3.44Å; R26-F28 PolarHBondContact O-N 2.9Å; R26-L29 PolarHBondContact O-N 3.38Å; R26-D30 PolarHBondContact O-N 3.24Å; R26-E36 IonicContact CZ-OE1 3.88Å; R26-E36 IonicContact CZ-OE2 3.52Å; R26-E36 IonicContact NE-OE1 3.3Å; R26-E36 IonicContact NE-OE2 2.79Å; R26-E36 IonicContact NH1-OE1 2.61Å; R26-E36 VanDerWaalsContact NH2-CD 3.3Å; R26-E36 IonicContact NH2-OE1 3.38Å; R26-E36 PolarHBondContact NH2-OE1 3.3Å; R26-E36 VanDerWaalsContact NH2-OE1 3.11Å; R26-E36 IonicContact NH2-OE2 2.69Å; R26-E36 PolarHBondContact NH2-OE2 3.07Å; R26-Y52 HydrophobicContact CG-CE2 3.84Å; R26-T54 HydrophobicContact CG-CG2 4.16Å; R26-E57 IonicContact CZ-OE2 3.57Å; R26-E57 IonicContact NH1-OE1 3.55Å; R26-E57 PolarHBondContact NH1-OE1 3.36Å; R26-E57 IonicContact NH1-OE2 3.38Å; R26-E57 PolarHBondContact NH1-OE2 2.8Å
27T98.5Very high98.6Very high65 Ų6537.9 Ų37.940%0.39920%0.201SC..Hα-helixtrans-56.5-37.8177.5-59.40000112Q23 N31Q23-T27 PolarHBondContact NE2-OG1 2.8Å; Q23-T27 PolarHBondContact O-N 3.44Å; Q23-T27 PolarHBondContact O-OG1 3.17Å; T27-N31 WeakPolarHBondContact O-CB 3.4Å; T27-N31 PolarHBondContact O-N 2.92Å; T27-N31 PolarHBondContact O-ND2 3.18Å
28F98.7Very high98.6Very high49 Ų4942 Ų4222%0.21522%0.219CC..Hα-helixtrans-66.9-45.3176-169.8-100.7000112.2S24 V25 R26 N31 H32 L278 H279 I282S24-F28 WeakPolarHBondContact O-CB 3.11Å; S24-F28 PolarHBondContact O-N 2.87Å; V25-F28 WeakPolarHBondContact O-CB 3.36Å; V25-F28 PolarHBondContact O-N 3.32Å; V25-F28 VanDerWaalsContact O-N 3.17Å; R26-F28 PolarHBondContact O-N 2.9Å; F28-N31 PolarHBondContact O-N 3.02Å; F28-H32 AromaticContact CD1-ND1 3.96Å; F28-H32 AromaticContact CD2-CE1 3.95Å; F28-H32 AromaticContact CE1-CE1 3.77Å; F28-H32 AromaticContact CE1-ND1 3.93Å; F28-H32 AromaticContact CE2-CE1 3.51Å; F28-H32 AromaticContact CZ-CE1 3.41Å; F28-H32 VanDerWaalsContact CZ-CE1 3.41Å; F28-H32 WeakPolarHBondContact CZ-CE1 3.4Å; F28-H32 PolarHBondContact O-N 2.92Å; F28-H32 PolarHBondContact O-ND1 3.07Å; F28-L278 HydrophobicContact CB-CD2 4.34Å; F28-L278 HydrophobicContact CD1-CD1 3.88Å; F28-L278 HydrophobicContact CD1-CD2 3.57Å; F28-L278 HydrophobicContact CD1-CG 3.7Å; F28-L278 HydrophobicContact CE1-CD1 4.22Å; F28-L278 HydrophobicContact CE1-CD2 4.06Å; F28-L278 HydrophobicContact CE1-CG 3.81Å; F28-L278 HydrophobicContact CG-CD2 4.12Å; F28-H279 AromaticContact CE2-CE1 3.75Å; F28-H279 AromaticContact CE2-NE2 3.89Å; F28-H279 AromaticContact CZ-CE1 3.39Å; F28-H279 WeakPolarHBondContact CZ-CE1 3.43Å; F28-H279 AromaticContact CZ-ND1 3.91Å; F28-H279 AromaticContact CZ-NE2 3.65Å; F28-I282 HydrophobicContact CD1-CG1 4.26Å; F28-I282 HydrophobicContact CE1-CB 4.28Å; F28-I282 HydrophobicContact CE1-CG1 3.62Å
29L98.9Very high98.4Very high0 Ų044.7 Ų44.70%023%0.231CC..Hα-helixtrans-64.9-42.9178.3-70.4172.5000112V25 R26 N31 H32 G33 F34 Y52 V60 A62 L278 I282V25-L29 HydrophobicContact CG1-CD1 3.68Å; V25-L29 HydrophobicContact CG1-CG 4.1Å; V25-L29 WeakPolarHBondContact O-CB 3.39Å; V25-L29 VanDerWaalsContact O-CG 3.27Å; V25-L29 WeakPolarHBondContact O-CG 3.3Å; V25-L29 PolarHBondContact O-N 2.84Å; R26-L29 PolarHBondContact O-N 3.38Å; L29-N31 VanDerWaalsContact C-N 3.31Å; L29-N31 PolarHBondContact O-N 2.66Å; L29-H32 CarbonylContact O-C 3.31Å; L29-H32 WeakPolarHBondContact O-CA 3.25Å; L29-H32 PolarHBondContact O-N 3.09Å; L29-G33 PolarHBondContact O-N 3.22Å; L29-F34 HydrophobicContact CB-CB 3.94Å; L29-F34 HydrophobicContact CB-CD2 4.39Å; L29-F34 HydrophobicContact CB-CG 4.13Å; L29-F34 HydrophobicContact CD2-CD1 4.13Å; L29-F34 HydrophobicContact CD2-CD2 4.01Å; L29-F34 HydrophobicContact CD2-CE1 4.32Å; L29-F34 HydrophobicContact CD2-CE2 4.19Å; L29-F34 HydrophobicContact CD2-CG 4.01Å; L29-F34 HydrophobicContact CD2-CZ 4.37Å; L29-F34 WeakPolarHBondContact O-CB 3.43Å; L29-F34 WeakPolarHBondContact O-CD2 3.39Å; L29-F34 PolarHBondContact O-N 3.1Å; L29-F34 VanDerWaalsContact O-N 3.09Å; L29-Y52 HydrophobicContact CB-CD1 3.94Å; L29-Y52 HydrophobicContact CB-CE1 4.23Å; L29-Y52 HydrophobicContact CD1-CD1 3.9Å; L29-Y52 HydrophobicContact CD1-CG 3.83Å; L29-V60 HydrophobicContact CD1-CG2 4.34Å; L29-A62 HydrophobicContact CD1-CB 3.99Å; L29-A62 HydrophobicContact CD2-CB 4.19Å; L29-L278 HydrophobicContact CD2-CD1 3.87Å; L29-L278 HydrophobicContact CG-CD1 4.31Å; L29-I282 HydrophobicContact CD2-CD1 4.16Å
30D98.6Very high98.3Very high76 Ų7652 Ų5241%0.40627%0.265SS..Hα-helixtrans-55.8-47175.5-66-27.4000110.9R26 H32 G33 Y52R26-D30 PolarHBondContact O-N 3.24Å; D30-H32 PolarHBondContact O-N 3.03Å; D30-H32 VanDerWaalsContact O-N 3.13Å; D30-G33 PolarHBondContact O-N 3.4Å; D30-Y52 WeakPolarHBondContact OD1-CE1 3.06Å; D30-Y52 PolarHBondContact OD1-OH 3.17Å
31N98.5Very high98.2Very high127 Ų12755.9 Ų55.968%0.67928%0.283SS*.Hα-helixtrans-64.8-15.4177.1-72.3-33.7000113.6T27 F28 L29T27-N31 WeakPolarHBondContact O-CB 3.4Å; T27-N31 PolarHBondContact O-N 2.92Å; T27-N31 PolarHBondContact O-ND2 3.18Å; F28-N31 PolarHBondContact O-N 3.02Å; L29-N31 VanDerWaalsContact C-N 3.31Å; L29-N31 PolarHBondContact O-N 2.66Å
32H98.6Very high98Very high70 Ų7061.9 Ų61.932%0.32433%0.325SS..THydrogen-bonded Turntrans-105.515.5175.6-67.885.4000113.2F28 L29 D30 F34 I282F28-H32 AromaticContact CD1-ND1 3.96Å; F28-H32 AromaticContact CD2-CE1 3.95Å; F28-H32 AromaticContact CE1-CE1 3.77Å; F28-H32 AromaticContact CE1-ND1 3.93Å; F28-H32 AromaticContact CE2-CE1 3.51Å; F28-H32 AromaticContact CZ-CE1 3.41Å; F28-H32 VanDerWaalsContact CZ-CE1 3.41Å; F28-H32 WeakPolarHBondContact CZ-CE1 3.4Å; F28-H32 PolarHBondContact O-N 2.92Å; F28-H32 PolarHBondContact O-ND1 3.07Å; L29-H32 CarbonylContact O-C 3.31Å; L29-H32 WeakPolarHBondContact O-CA 3.25Å; L29-H32 PolarHBondContact O-N 3.09Å; D30-H32 PolarHBondContact O-N 3.03Å; D30-H32 VanDerWaalsContact O-N 3.13Å; H32-F34 HydrophobicContact CB-CD2 4.22Å; H32-F34 HydrophobicContact CB-CE2 4.36Å; H32-I282 HydrophobicContact CB-CD1 3.97Å; H32-I282 WeakPolarHBondContact CD2-CG2 3.47Å
33G98.2Very high97.9Very high57 Ų5763.2 Ų63.259%0.58833%0.33SS*.THydrogen-bonded Turntrans76.824.8172.600000114.1L29 D30L29-G33 PolarHBondContact O-N 3.22Å; D30-G33 PolarHBondContact O-N 3.4Å
34F98.8Very high97.8Very high10 Ų1062 Ų624%0.04433%0.331CS..  trans-81.8148.5168-72.7-111.4000109.9L29 H32 K50 V51 Y52 A62 A64 F281 I282 L285L29-F34 HydrophobicContact CB-CB 3.94Å; L29-F34 HydrophobicContact CB-CD2 4.39Å; L29-F34 HydrophobicContact CB-CG 4.13Å; L29-F34 HydrophobicContact CD2-CD1 4.13Å; L29-F34 HydrophobicContact CD2-CD2 4.01Å; L29-F34 HydrophobicContact CD2-CE1 4.32Å; L29-F34 HydrophobicContact CD2-CE2 4.19Å; L29-F34 HydrophobicContact CD2-CG 4.01Å; L29-F34 HydrophobicContact CD2-CZ 4.37Å; L29-F34 WeakPolarHBondContact O-CB 3.43Å; L29-F34 WeakPolarHBondContact O-CD2 3.39Å; L29-F34 PolarHBondContact O-N 3.1Å; L29-F34 VanDerWaalsContact O-N 3.09Å; H32-F34 HydrophobicContact CB-CD2 4.22Å; H32-F34 HydrophobicContact CB-CE2 4.36Å; F34-K50 WeakPolarHBondContact CA-O 3.46Å; F34-K50 HydrophobicContact CB-CB 4.41Å; F34-K50 HydrophobicContact CD1-CB 3.67Å; F34-K50 HydrophobicContact CD2-CB 3.94Å; F34-K50 HydrophobicContact CD2-CD 4.17Å; F34-K50 HydrophobicContact CE1-CB 3.7Å; F34-K50 HydrophobicContact CE1-CG 4.29Å; F34-K50 HydrophobicContact CE2-CB 3.98Å; F34-K50 HydrophobicContact CE2-CD 3.77Å; F34-K50 HydrophobicContact CE2-CG 4.18Å; F34-K50 HydrophobicContact CG-CB 3.76Å; F34-K50 HydrophobicContact CZ-CB 3.84Å; F34-K50 HydrophobicContact CZ-CD 4.07Å; F34-K50 HydrophobicContact CZ-CG 4.01Å; F34-V51 WeakPolarHBondContact CD1-O 3.47Å; F34-Y52 HydrophobicContact CB-CD1 3.89Å; F34-Y52 HydrophobicContact CB-CE1 4.47Å; F34-A62 HydrophobicContact CE1-CB 4.43Å; F34-A64 HydrophobicContact CZ-CB 4.45Å; F34-F281 AromaticContact CE1-CE1 3.5Å; F34-F281 HydrophobicContact CE1-CE1 3.5Å; F34-F281 AromaticContact CE1-CZ 3.79Å; F34-F281 HydrophobicContact CE1-CZ 3.79Å; F34-F281 HydrophobicContact CE2-CE1 4.33Å; F34-F281 HydrophobicContact CZ-CD1 4.29Å; F34-F281 AromaticContact CZ-CE1 3.29Å; F34-F281 HydrophobicContact CZ-CE1 3.29Å; F34-F281 AromaticContact CZ-CZ 3.79Å; F34-F281 HydrophobicContact CZ-CZ 3.79Å; F34-I282 HydrophobicContact CD2-CD1 4.31Å; F34-I282 HydrophobicContact CE2-CD1 3.46Å; F34-I282 VanDerWaalsContact CE2-CD1 3.46Å; F34-I282 HydrophobicContact CZ-CD1 3.97Å; F34-L285 HydrophobicContact CE2-CD1 3.8Å; F34-L285 HydrophobicContact CZ-CD1 4.01Å
35R98.3Very high97.7Very high98 Ų9860.5 Ų60.537%0.3732%0.32SS..EExtended strand (participates in β ladder)trans-110.2141.8170.364.7-175.1174.288.1-3.2111S44 D49 K50 V51 Y52R35-S44 PolarHBondContact NH2-O 2.79Å; R35-D49 IonicContact NH2-OD2 3.78Å; R35-D49 PolarHBondContact NH2-OD2 3Å; R35-K50 PolarHBondContact N-O 3.48Å; R35-V51 HydrophobicContact CG-CB 4.48Å; R35-V51 HydrophobicContact CG-CG1 3.74Å; R35-V51 CarbonylContact O-C 3.56Å; R35-V51 VanDerWaalsContact O-CA 3.22Å; R35-V51 WeakPolarHBondContact O-CA 3.45Å; R35-Y52 PolarHBondContact O-N 3.08Å
36E98.6Very high97.6Very high38 Ų3866.3 Ų66.318%0.17834%0.342CS..EExtended strand (participates in β ladder)trans-70.3141.3171.8-163.5153.2-167.500111.1R26 F38 Y52R26-E36 IonicContact CZ-OE1 3.88Å; R26-E36 IonicContact CZ-OE2 3.52Å; R26-E36 IonicContact NE-OE1 3.3Å; R26-E36 IonicContact NE-OE2 2.79Å; R26-E36 IonicContact NH1-OE1 2.61Å; R26-E36 VanDerWaalsContact NH2-CD 3.3Å; R26-E36 IonicContact NH2-OE1 3.38Å; R26-E36 PolarHBondContact NH2-OE1 3.3Å; R26-E36 VanDerWaalsContact NH2-OE1 3.11Å; R26-E36 IonicContact NH2-OE2 2.69Å; R26-E36 PolarHBondContact NH2-OE2 3.07Å; E36-F38 HydrophobicContact CB-CZ 4.47Å; E36-F38 HydrophobicContact CG-CE1 4.24Å; E36-F38 HydrophobicContact CG-CZ 4.14Å; E36-Y52 CarbonylContact C-O 3.54Å; E36-Y52 WeakPolarHBondContact CA-O 3.43Å; E36-Y52 HydrophobicContact CB-CE1 4.1Å; E36-Y52 HydrophobicContact CB-CE2 3.79Å; E36-Y52 WeakPolarHBondContact CB-OH 3.22Å; E36-Y52 HydrophobicContact CG-CD2 4.18Å; E36-Y52 HydrophobicContact CG-CE2 3.45Å; E36-Y52 VanDerWaalsContact CG-CE2 3.45Å; E36-Y52 PolarHBondContact OE2-OH 2.8Å
37L98.4Very high97.5Very high6 Ų666.8 Ų66.83%0.03135%0.351CS..  trans-111137168.2-70.5176.9000108.9W43 V51 Y52 I53L37-W43 HydrophobicContact CB-CD2 4.5Å; L37-W43 HydrophobicContact CB-CZ2 4.33Å; L37-W43 HydrophobicContact CD1-CD2 3.83Å; L37-W43 HydrophobicContact CD1-CE3 4.02Å; L37-W43 HydrophobicContact CD1-CG 4.12Å; L37-W43 HydrophobicContact CD1-CZ3 4.47Å; L37-W43 HydrophobicContact CD2-CB 4.39Å; L37-W43 HydrophobicContact CD2-CD2 4.45Å; L37-W43 HydrophobicContact CD2-CG 3.96Å; L37-V51 HydrophobicContact CD1-CB 3.67Å; L37-V51 HydrophobicContact CD1-CG1 4.07Å; L37-V51 HydrophobicContact CD1-CG2 3.67Å; L37-V51 HydrophobicContact CG-CB 3.92Å; L37-V51 HydrophobicContact CG-CG1 4.19Å; L37-V51 HydrophobicContact CG-CG2 4.47Å; L37-Y52 PolarHBondContact N-O 3.44Å; L37-I53 HydrophobicContact CB-CB 4.37Å; L37-I53 HydrophobicContact CB-CD1 4.4Å; L37-I53 WeakPolarHBondContact O-CD1 3.33Å; L37-I53 VanDerWaalsContact O-CG1 3.32Å; L37-I53 WeakPolarHBondContact O-CG1 3.44Å
38F97.8Very high97.5Very high90 Ų9068 Ų6840%0.39535%0.354SS..  trans-98.9143.6174.9-61.1-77.3000111.2E36 E40 E41 W43E36-F38 HydrophobicContact CB-CZ 4.47Å; E36-F38 HydrophobicContact CG-CE1 4.24Å; E36-F38 HydrophobicContact CG-CZ 4.14Å; F38-E40 VanDerWaalsContact C-N 3.28Å; F38-E40 PolarHBondContact O-N 2.96Å; F38-E41 HydrophobicContact CB-CG 3.97Å; F38-E41 PolarHBondContact O-N 3.24Å; F38-W43 PolarHBondContact O-NE1 2.81Å
39E95.2Very high97.5Very high68 Ų6867.5 Ų67.532%0.31835%0.354SS..THydrogen-bonded Turntrans-63.5-34.5-173.2-71.4-171.3-104.300112.3E41 I53 K55 Y317 R324E39-E41 VanDerWaalsContact C-N 3.31Å; E39-E41 PolarHBondContact O-N 3.22Å; E39-I53 HydrophobicContact CB-CD1 4.49Å; E39-I53 HydrophobicContact CG-CD1 3.67Å; E39-I53 HydrophobicContact CG-CG1 4.37Å; E39-K55 WeakPolarHBondContact OE1-CD 3.3Å; E39-K55 IonicContact OE1-NZ 2.75Å; E39-K55 PolarHBondContact OE1-NZ 3.21Å; E39-K55 IonicContact OE2-NZ 3.1Å; E39-K55 PolarHBondContact OE2-NZ 2.91Å; E39-Y317 HydrophobicContact CG-CE2 4.47Å; E39-Y317 VanDerWaalsContact OE2-CE2 3.28Å; E39-Y317 WeakPolarHBondContact OE2-CE2 3.26Å; E39-R324 VanDerWaalsContact O-CZ 3.23Å; E39-R324 PolarHBondContact O-NH1 3.12Å; E39-R324 PolarHBondContact O-NH2 2.78Å
40E96.1Very high97.5Very high162 Ų16270.5 Ų70.576%0.75737%0.367SS*.THydrogen-bonded Turntrans-77.3-13.5-177.961-91.2-141.700113.9F38F38-E40 VanDerWaalsContact C-N 3.28Å; F38-E40 PolarHBondContact O-N 2.96Å
41E96.5Very high97.5Very high98 Ų9867 Ų6746%0.45835%0.348SS..SBendtrans-92.3153.2-174-66.7-176.4160.800113.4F38 E39 W43 R324F38-E41 HydrophobicContact CB-CG 3.97Å; F38-E41 PolarHBondContact O-N 3.24Å; E39-E41 VanDerWaalsContact C-N 3.31Å; E39-E41 PolarHBondContact O-N 3.22Å; E41-W43 VanDerWaalsContact O-CD1 3.24Å; E41-W43 PolarHBondContact O-NE1 2.59Å; E41-R324 PolarHBondContact O-NH2 2.78Å
42S95.6Very high97.5Very high126 Ų12661 Ų6188%0.88132%0.316SS*.PPolyproline II helixtrans-74128.6165.8-67.90000109.8
43W96.6Very high97.6Very high28 Ų2858 Ų5811%0.10630%0.302CS..PPolyproline II helixtrans-98.4143.7-179.6-54.1-17.8000111.3L37 F38 E41 I53 R324 L325 A328L37-W43 HydrophobicContact CB-CD2 4.5Å; L37-W43 HydrophobicContact CB-CZ2 4.33Å; L37-W43 HydrophobicContact CD1-CD2 3.83Å; L37-W43 HydrophobicContact CD1-CE3 4.02Å; L37-W43 HydrophobicContact CD1-CG 4.12Å; L37-W43 HydrophobicContact CD1-CZ3 4.47Å; L37-W43 HydrophobicContact CD2-CB 4.39Å; L37-W43 HydrophobicContact CD2-CD2 4.45Å; L37-W43 HydrophobicContact CD2-CG 3.96Å; F38-W43 PolarHBondContact O-NE1 2.81Å; E41-W43 VanDerWaalsContact O-CD1 3.24Å; E41-W43 PolarHBondContact O-NE1 2.59Å; W43-I53 HydrophobicContact CH2-CD1 3.69Å; W43-I53 HydrophobicContact CZ2-CD1 3.3Å; W43-R324 HydrophobicContact CE3-CB 3.6Å; W43-R324 HydrophobicContact CH2-CB 4.02Å; W43-R324 VanDerWaalsContact CZ2-NH1 3.35Å; W43-R324 VanDerWaalsContact CZ2-NH2 3.3Å; W43-R324 HydrophobicContact CZ3-CB 3.26Å; W43-R324 HydrophobicContact CZ3-CG 4.19Å; W43-L325 HydrophobicContact CZ3-CD2 4.43Å; W43-A328 HydrophobicContact CB-CB 3.7Å; W43-A328 WeakPolarHBondContact O-CB 3.36Å
44S95.7Very high97.6Very high58 Ų5856 Ų5641%0.40628%0.279SS..  trans-122133.6169.6167.20000107.5R35 C332R35-S44 PolarHBondContact NH2-O 2.79Å; S44-C332 VanDerWaalsContact CB-SG 3.54Å; S44-C332 PolarHBondContact OG-SG 3.23Å
45L96.8Very high97.5Very high0 Ų057.6 Ų57.60%029%0.286CS..  trans-133.5140.3178.2-69.1173.8000111.6D49 V51 L325 A328 F329L45-D49 WeakPolarHBondContact CA-OD2 3.19Å; L45-D49 HydrophobicContact CD2-CB 4.02Å; L45-V51 HydrophobicContact CD2-CG1 3.65Å; L45-V51 HydrophobicContact CD2-CG2 4.05Å; L45-L325 HydrophobicContact CD1-CB 4.27Å; L45-L325 HydrophobicContact CD1-CD2 3.56Å; L45-A328 HydrophobicContact CB-CB 4.31Å; L45-A328 HydrophobicContact CD1-CB 3.9Å; L45-A328 HydrophobicContact CG-CB 3.93Å; L45-A328 PolarHBondContact N-O 3.4Å; L45-F329 HydrophobicContact CB-CB 4.25Å; L45-F329 HydrophobicContact CB-CD2 4.36Å
46R96.7Very high97.4Very high123 Ų12355.4 Ų55.446%0.46428%0.281SS..  trans-124.7163.6174.6-64.7176.9-179.1-104.3-7.9110.6L48 D49 E336R46-L48 PolarHBondContact O-N 3.31Å; R46-D49 PolarHBondContact N-OD2 3.4Å; R46-D49 VanDerWaalsContact O-CB 3.26Å; R46-D49 WeakPolarHBondContact O-CB 3.35Å; R46-D49 PolarHBondContact O-N 3.42Å; R46-D49 VanDerWaalsContact O-N 3.12Å; R46-E336 IonicContact CZ-OE1 3.35Å; R46-E336 IonicContact NH1-OE1 2.74Å; R46-E336 PolarHBondContact NH1-OE1 3.48Å; R46-E336 IonicContact NH2-OE1 3.29Å; R46-E336 PolarHBondContact NH2-OE1 3.41Å
47P97.5Very high97.3Very high54 Ų5456.2 Ų56.235%0.35129%0.285SS..THydrogen-bonded Turntrans-52.6141.4170.6-25.735.1000110.9D49 F329P47-D49 PolarHBondContact O-N 3.49Å; P47-F329 HydrophobicContact CG-CE2 3.89Å; P47-F329 HydrophobicContact CG-CZ 4.01Å
48L98.2Very high97.3Very high89 Ų8955.9 Ų55.947%0.46628%0.283SS..THydrogen-bonded Turntrans71.5-0.1-175.9-50.8174.6000116.4R46 V65 L288R46-L48 PolarHBondContact O-N 3.31Å; L48-V65 VanDerWaalsContact CA-O 3.22Å; L48-V65 WeakPolarHBondContact CA-O 3.39Å; L48-V65 PolarHBondContact N-O 3.31Å; L48-L288 HydrophobicContact CD2-CB 4.44Å; L48-L288 HydrophobicContact CD2-CD2 4.14Å; L48-L288 HydrophobicContact CD2-CG 4.1Å
49D98.5Very high97.4Very high40 Ų4051.6 Ų51.621%0.21427%0.265CS..  trans-61.8139.7172-83.64000111R35 L45 R46 P47 V65R35-D49 IonicContact NH2-OD2 3.78Å; R35-D49 PolarHBondContact NH2-OD2 3Å; L45-D49 WeakPolarHBondContact CA-OD2 3.19Å; L45-D49 HydrophobicContact CD2-CB 4.02Å; R46-D49 PolarHBondContact N-OD2 3.4Å; R46-D49 VanDerWaalsContact O-CB 3.26Å; R46-D49 WeakPolarHBondContact O-CB 3.35Å; R46-D49 PolarHBondContact O-N 3.42Å; R46-D49 VanDerWaalsContact O-N 3.12Å; P47-D49 PolarHBondContact O-N 3.49Å; D49-V65 HydrophobicContact CB-CG2 4.18Å; D49-V65 PolarHBondContact O-N 3.17Å
50K98.8Very high97.6Very high62 Ų6248.4 Ų48.427%0.2725%0.25SC..EExtended strand (participates in β ladder)trans-122.6115.8177.3-64.3176.2-167.7176.30108.1F34 R35 A63 A64 L285F34-K50 WeakPolarHBondContact CA-O 3.46Å; F34-K50 HydrophobicContact CB-CB 4.41Å; F34-K50 HydrophobicContact CD1-CB 3.67Å; F34-K50 HydrophobicContact CD2-CB 3.94Å; F34-K50 HydrophobicContact CD2-CD 4.17Å; F34-K50 HydrophobicContact CE1-CB 3.7Å; F34-K50 HydrophobicContact CE1-CG 4.29Å; F34-K50 HydrophobicContact CE2-CB 3.98Å; F34-K50 HydrophobicContact CE2-CD 3.77Å; F34-K50 HydrophobicContact CE2-CG 4.18Å; F34-K50 HydrophobicContact CG-CB 3.76Å; F34-K50 HydrophobicContact CZ-CB 3.84Å; F34-K50 HydrophobicContact CZ-CD 4.07Å; F34-K50 HydrophobicContact CZ-CG 4.01Å; R35-K50 PolarHBondContact N-O 3.48Å; K50-A63 WeakPolarHBondContact CA-O 2.98Å; K50-A64 HydrophobicContact CG-CB 4.46Å; K50-L285 HydrophobicContact CD-CD1 4.27Å
51V98.8Very high97.7Very high2 Ų241 Ų411%0.01222%0.215CC..EExtended strand (participates in β ladder)trans-134.9154.7-174-60.30000111F34 R35 L37 L45 A62 A63 L325F34-V51 WeakPolarHBondContact CD1-O 3.47Å; R35-V51 HydrophobicContact CG-CB 4.48Å; R35-V51 HydrophobicContact CG-CG1 3.74Å; R35-V51 CarbonylContact O-C 3.56Å; R35-V51 VanDerWaalsContact O-CA 3.22Å; R35-V51 WeakPolarHBondContact O-CA 3.45Å; L37-V51 HydrophobicContact CD1-CB 3.67Å; L37-V51 HydrophobicContact CD1-CG1 4.07Å; L37-V51 HydrophobicContact CD1-CG2 3.67Å; L37-V51 HydrophobicContact CG-CB 3.92Å; L37-V51 HydrophobicContact CG-CG1 4.19Å; L37-V51 HydrophobicContact CG-CG2 4.47Å; L45-V51 HydrophobicContact CD2-CG1 3.65Å; L45-V51 HydrophobicContact CD2-CG2 4.05Å; V51-A62 CarbonylContact O-C 3.56Å; V51-A63 HydrophobicContact CG2-CB 3.83Å; V51-A63 PolarHBondContact N-O 3.21Å; V51-A63 PolarHBondContact O-N 3.25Å; V51-A63 VanDerWaalsContact O-O 3.13Å; V51-L325 HydrophobicContact CG2-CD2 4.23Å
52Y98.8Very high97.8Very high3 Ų336.3 Ų36.31%0.01219%0.194CC..EExtended strand (participates in β ladder)trans-137.3158.2165.572.5-95.6000110.5R26 L29 D30 F34 R35 E36 L37 T54 V60 I61R26-Y52 HydrophobicContact CG-CE2 3.84Å; L29-Y52 HydrophobicContact CB-CD1 3.94Å; L29-Y52 HydrophobicContact CB-CE1 4.23Å; L29-Y52 HydrophobicContact CD1-CD1 3.9Å; L29-Y52 HydrophobicContact CD1-CG 3.83Å; D30-Y52 WeakPolarHBondContact OD1-CE1 3.06Å; D30-Y52 PolarHBondContact OD1-OH 3.17Å; F34-Y52 HydrophobicContact CB-CD1 3.89Å; F34-Y52 HydrophobicContact CB-CE1 4.47Å; R35-Y52 PolarHBondContact O-N 3.08Å; E36-Y52 CarbonylContact C-O 3.54Å; E36-Y52 WeakPolarHBondContact CA-O 3.43Å; E36-Y52 HydrophobicContact CB-CE1 4.1Å; E36-Y52 HydrophobicContact CB-CE2 3.79Å; E36-Y52 WeakPolarHBondContact CB-OH 3.22Å; E36-Y52 HydrophobicContact CG-CD2 4.18Å; E36-Y52 HydrophobicContact CG-CE2 3.45Å; E36-Y52 VanDerWaalsContact CG-CE2 3.45Å; E36-Y52 PolarHBondContact OE2-OH 2.8Å; L37-Y52 PolarHBondContact N-O 3.44Å; Y52-T54 HydrophobicContact CD2-CG2 4.06Å; Y52-T54 HydrophobicContact CE2-CG2 4Å; Y52-V60 HydrophobicContact CD2-CG2 4.14Å; Y52-V60 HydrophobicContact CG-CG2 4.49Å; Y52-I61 CarbonylContact C-O 3.4Å; Y52-I61 VanDerWaalsContact CA-O 3.29Å; Y52-I61 WeakPolarHBondContact CA-O 3.45Å
53I98.6Very high98Very high6 Ų630.4 Ų30.43%0.03115%0.152CC..EExtended strand (participates in β ladder)trans-135.1143.6171.4-172.5154.5000109.8L37 E39 W43 V60 I61 Y317 V321L37-I53 HydrophobicContact CB-CB 4.37Å; L37-I53 HydrophobicContact CB-CD1 4.4Å; L37-I53 WeakPolarHBondContact O-CD1 3.33Å; L37-I53 VanDerWaalsContact O-CG1 3.32Å; L37-I53 WeakPolarHBondContact O-CG1 3.44Å; E39-I53 HydrophobicContact CB-CD1 4.49Å; E39-I53 HydrophobicContact CG-CD1 3.67Å; E39-I53 HydrophobicContact CG-CG1 4.37Å; W43-I53 HydrophobicContact CH2-CD1 3.69Å; W43-I53 HydrophobicContact CZ2-CD1 3.3Å; I53-V60 CarbonylContact O-C 3.54Å; I53-V60 WeakPolarHBondContact O-CA 3.45Å; I53-V60 WeakPolarHBondContact O-CG2 3.1Å; I53-I61 HydrophobicContact CG2-CB 4.05Å; I53-I61 PolarHBondContact N-O 2.83Å; I53-I61 PolarHBondContact O-N 3.42Å; I53-Y317 WeakPolarHBondContact CG1-OH 3.27Å; I53-V321 HydrophobicContact CG2-CG1 4.12Å; I53-V321 HydrophobicContact CG2-CG2 4.23Å
54T98.2Very high98.1Very high15 Ų1529.1 Ų29.19%0.09215%0.147CC..EExtended strand (participates in β ladder)trans-109.2155177.265.20000110.9I22 R26 Y52 T59 V60 Y317I22-T54 HydrophobicContact CG2-CG2 3.86Å; R26-T54 HydrophobicContact CG-CG2 4.16Å; Y52-T54 HydrophobicContact CD2-CG2 4.06Å; Y52-T54 HydrophobicContact CE2-CG2 4Å; T54-T59 CarbonylContact C-O 3.53Å; T54-T59 WeakPolarHBondContact CA-O 3.15Å; T54-V60 HydrophobicContact CG2-CB 4.45Å; T54-V60 HydrophobicContact CG2-CG2 4.28Å; T54-Y317 PolarHBondContact O-OH 3.25Å
55K97.7Very high98.2Very high43 Ų4326.4 Ų26.419%0.18713%0.128CC..EExtended strand (participates in β ladder)trans-129.8127.2170.7-169.865.1170.8-174.70109.1E39 E57 S58 T59 Q311 Y317E39-K55 WeakPolarHBondContact OE1-CD 3.3Å; E39-K55 IonicContact OE1-NZ 2.75Å; E39-K55 PolarHBondContact OE1-NZ 3.21Å; E39-K55 IonicContact OE2-NZ 3.1Å; E39-K55 PolarHBondContact OE2-NZ 2.91Å; K55-E57 PolarHBondContact O-N 3.39Å; K55-S58 PolarHBondContact O-N 3.06Å; K55-S58 VanDerWaalsContact O-N 3.1Å; K55-S58 PolarHBondContact O-OG 3.24Å; K55-T59 HydrophobicContact CB-CG2 4.42Å; K55-T59 PolarHBondContact N-O 3.19Å; K55-T59 PolarHBondContact O-N 3.07Å; K55-Q311 HydrophobicContact CB-CB 4.3Å; K55-Q311 HydrophobicContact CG-CB 3.99Å; K55-Y317 HydrophobicContact CB-CD1 4.27Å; K55-Y317 HydrophobicContact CB-CE1 3.7Å; K55-Y317 HydrophobicContact CD-CD2 4.25Å; K55-Y317 HydrophobicContact CD-CE1 4.42Å; K55-Y317 HydrophobicContact CD-CE2 3.85Å; K55-Y317 HydrophobicContact CG-CD1 4.4Å; K55-Y317 HydrophobicContact CG-CE1 4.19Å; K55-Y317 HydrophobicContact CG-CE2 4.44Å
56N96.7Very high98.3Very high52 Ų5226.4 Ų26.428%0.27813%0.128SC..THydrogen-bonded Turntrans51.923.6-178.8-177.252.1000113.6S58 R126 Q311N56-S58 WeakPolarHBondContact CB-OG 3.2Å; N56-S58 PolarHBondContact ND2-OG 3.2Å; N56-S58 PolarHBondContact O-N 3.33Å; N56-S58 PolarHBondContact O-OG 3.2Å; N56-R126 PolarHBondContact O-NH1 3.19Å; N56-R126 PolarHBondContact OD1-NH1 2.7Å; N56-R126 PolarHBondContact OD1-NH2 2.92Å; N56-Q311 HydrophobicContact CB-CB 4.34Å; N56-Q311 HydrophobicContact CB-CG 4.42Å; N56-Q311 PolarHBondContact ND2-NE2 2.93Å
57E96.9Very high98.3Very high55 Ų5521.8 Ų21.826%0.25712%0.119SC..THydrogen-bonded Turntrans53.919.7-175.1-61.8-64.716400114.5F19 I22 R26 K55F19-E57 WeakPolarHBondContact CA-O 3.39Å; F19-E57 HydrophobicContact CD1-CB 4.34Å; I22-E57 VanDerWaalsContact CB-O 3.32Å; I22-E57 WeakPolarHBondContact CB-O 3.35Å; I22-E57 WeakPolarHBondContact CG1-O 3.44Å; R26-E57 IonicContact CZ-OE2 3.57Å; R26-E57 IonicContact NH1-OE1 3.55Å; R26-E57 PolarHBondContact NH1-OE1 3.36Å; R26-E57 IonicContact NH1-OE2 3.38Å; R26-E57 PolarHBondContact NH1-OE2 2.8Å; K55-E57 PolarHBondContact O-N 3.39Å
58S98.3Very high98.3Very high0 Ų027.1 Ų27.10%013%0.132CC..THydrogen-bonded Turntrans-131.3-17.5-173.240.60000112.6I22 K55 N56 T82 D301I22-S58 VanDerWaalsContact CG1-CA 3.44Å; I22-S58 WeakPolarHBondContact CG1-O 3.48Å; K55-S58 PolarHBondContact O-N 3.06Å; K55-S58 VanDerWaalsContact O-N 3.1Å; K55-S58 PolarHBondContact O-OG 3.24Å; N56-S58 WeakPolarHBondContact CB-OG 3.2Å; N56-S58 PolarHBondContact ND2-OG 3.2Å; N56-S58 PolarHBondContact O-N 3.33Å; N56-S58 PolarHBondContact O-OG 3.2Å; S58-T82 PolarHBondContact O-OG1 2.89Å; S58-D301 WeakPolarHBondContact CB-OD2 3.35Å; S58-D301 PolarHBondContact OG-OD2 3.38Å
59T98.8Very high98.2Very high0 Ų023.2 Ų23.20%011%0.112CC..EExtended strand (participates in β ladder)trans-122.8146.3171.5-71.20000110.8T54 K55 L299 F300 D301 Q311T54-T59 CarbonylContact C-O 3.53Å; T54-T59 WeakPolarHBondContact CA-O 3.15Å; K55-T59 HydrophobicContact CB-CG2 4.42Å; K55-T59 PolarHBondContact N-O 3.19Å; K55-T59 PolarHBondContact O-N 3.07Å; T59-L299 WeakPolarHBondContact CA-O 3.22Å; T59-L299 WeakPolarHBondContact CG2-O 3.21Å; T59-F300 HydrophobicContact CG2-CD1 3.98Å; T59-F300 WeakPolarHBondContact OG1-CA 3.24Å; T59-D301 PolarHBondContact OG1-N 3.06Å; T59-Q311 WeakPolarHBondContact OG1-CB 3.36Å; T59-Q311 PolarHBondContact OG1-O 3.45Å
60V98.8Very high97.9Very high1 Ų127.8 Ų27.81%0.00613%0.132CC..EExtended strand (participates in β ladder)trans-136.2140.8174.662.80000111I22 V25 L29 Y52 I53 T54 C298 L299I22-V60 HydrophobicContact CD1-CB 3.87Å; I22-V60 HydrophobicContact CD1-CG1 3.58Å; V25-V60 HydrophobicContact CG1-CG1 3.92Å; L29-V60 HydrophobicContact CD1-CG2 4.34Å; Y52-V60 HydrophobicContact CD2-CG2 4.14Å; Y52-V60 HydrophobicContact CG-CG2 4.49Å; I53-V60 CarbonylContact O-C 3.54Å; I53-V60 WeakPolarHBondContact O-CA 3.45Å; I53-V60 WeakPolarHBondContact O-CG2 3.1Å; T54-V60 HydrophobicContact CG2-CB 4.45Å; T54-V60 HydrophobicContact CG2-CG2 4.28Å; V60-C298 WeakPolarHBondContact O-CA 3.48Å; V60-L299 HydrophobicContact CG1-CB 3.95Å; V60-L299 HydrophobicContact CG1-CD1 4.01Å; V60-L299 HydrophobicContact CG1-CG 4.05Å; V60-L299 PolarHBondContact N-O 2.74Å; V60-L299 PolarHBondContact O-N 2.94Å
61I98.8Very high97.6Very high5 Ų526.7 Ų26.73%0.02613%0.13CC..EExtended strand (participates in β ladder)trans-119.7111.5167.2-59.3178.8000107.5Y52 I53 L296 L297 C298 Y317 V321Y52-I61 CarbonylContact C-O 3.4Å; Y52-I61 VanDerWaalsContact CA-O 3.29Å; Y52-I61 WeakPolarHBondContact CA-O 3.45Å; I53-I61 HydrophobicContact CG2-CB 4.05Å; I53-I61 PolarHBondContact N-O 2.83Å; I53-I61 PolarHBondContact O-N 3.42Å; I61-L296 HydrophobicContact CG2-CD2 4.45Å; I61-L297 CarbonylContact C-O 3.3Å; I61-L297 WeakPolarHBondContact CA-O 3.16Å; I61-C298 HydrophobicContact CG1-CB 4.25Å; I61-Y317 HydrophobicContact CD1-CD1 4.11Å; I61-Y317 HydrophobicContact CD1-CE1 4.01Å; I61-V321 HydrophobicContact CB-CG1 4.43Å; I61-V321 HydrophobicContact CD1-CB 4.08Å; I61-V321 HydrophobicContact CD1-CG1 4.16Å; I61-V321 HydrophobicContact CD1-CG2 4.09Å; I61-V321 HydrophobicContact CG2-CG1 4.02Å
62A98.9Very high97.1Very high1 Ų126.7 Ų26.71%0.00813%0.13CC..EExtended strand (participates in β ladder)trans-98.5139.1173.200000110.2L29 F34 V51 F281 L296 L297L29-A62 HydrophobicContact CD1-CB 3.99Å; L29-A62 HydrophobicContact CD2-CB 4.19Å; F34-A62 HydrophobicContact CE1-CB 4.43Å; V51-A62 CarbonylContact O-C 3.56Å; A62-F281 HydrophobicContact CB-CE1 3.92Å; A62-F281 HydrophobicContact CB-CZ 4.27Å; A62-L296 VanDerWaalsContact O-CA 3.32Å; A62-L296 WeakPolarHBondContact O-CA 3.33Å; A62-L297 HydrophobicContact CB-CB 4.4Å; A62-L297 PolarHBondContact N-O 2.86Å; A62-L297 PolarHBondContact O-N 2.97Å
63A98.9Very high96.9Very high2 Ų227.8 Ų27.82%0.01714%0.137CC..EExtended strand (participates in β ladder)trans-132134.2-178.600000111.5K50 V51 I294 R295 L296 L325K50-A63 WeakPolarHBondContact CA-O 2.98Å; V51-A63 HydrophobicContact CG2-CB 3.83Å; V51-A63 PolarHBondContact N-O 3.21Å; V51-A63 PolarHBondContact O-N 3.25Å; V51-A63 VanDerWaalsContact O-O 3.13Å; A63-I294 HydrophobicContact CB-CG2 4.14Å; A63-R295 VanDerWaalsContact CA-O 3.32Å; A63-R295 WeakPolarHBondContact CA-O 3.15Å; A63-L296 HydrophobicContact CB-CD2 3.34Å; A63-L325 HydrophobicContact CB-CD1 3.92Å; A63-L325 HydrophobicContact CB-CD2 4.27Å
64A98.8Very high96.8Very high0 Ų027.5 Ų27.50%014%0.135CC..EExtended strand (participates in β ladder)trans-122.8117.5170.800000109.2F34 K50 F281 L285 L288 R295F34-A64 HydrophobicContact CZ-CB 4.45Å; K50-A64 HydrophobicContact CG-CB 4.46Å; A64-F281 HydrophobicContact CB-CE2 4.07Å; A64-F281 HydrophobicContact CB-CZ 3.76Å; A64-L285 HydrophobicContact CB-CD2 3.64Å; A64-L288 HydrophobicContact CB-CD1 3.97Å; A64-L288 HydrophobicContact CB-CD2 4.01Å; A64-R295 HydrophobicContact CB-CB 4.47Å; A64-R295 PolarHBondContact N-O 2.97Å; A64-R295 PolarHBondContact O-N 2.81Å
65V98.7Very high96.8Very high1 Ų126.8 Ų26.81%0.00613%0.131CC..EExtended strand (participates in β ladder)trans-80.2122.6-176.7-1740000109.7L48 D49 F69 I294 F329L48-V65 VanDerWaalsContact CA-O 3.22Å; L48-V65 WeakPolarHBondContact CA-O 3.39Å; L48-V65 PolarHBondContact N-O 3.31Å; D49-V65 HydrophobicContact CB-CG2 4.18Å; D49-V65 PolarHBondContact O-N 3.17Å; V65-F69 HydrophobicContact CG1-CB 3.87Å; V65-F69 HydrophobicContact CG1-CD1 4.06Å; V65-F69 HydrophobicContact CG1-CG 4.14Å; V65-I294 HydrophobicContact CB-CG1 4.47Å; V65-I294 HydrophobicContact CG1-CG1 4.24Å; V65-I294 HydrophobicContact CG2-CG1 4.33Å; V65-F329 HydrophobicContact CG1-CD2 3.95Å; V65-F329 HydrophobicContact CG1-CE2 3.78Å
66G98.4Very high96.8Very high0 Ų024.8 Ų24.80%012%0.122CC..  trans-58.3143176.500000112.6R68 F69 E291 N293G66-R68 PolarHBondContact O-N 3.48Å; G66-F69 VanDerWaalsContact O-CB 3.24Å; G66-F69 WeakPolarHBondContact O-CB 3.33Å; G66-F69 PolarHBondContact O-N 2.71Å; G66-E291 CarbonylContact C-O 3.52Å; G66-E291 VanDerWaalsContact C-O 3.31Å; G66-E291 VanDerWaalsContact CA-O 3.28Å; G66-E291 WeakPolarHBondContact CA-O 3.49Å; G66-N293 WeakPolarHBondContact CA-O 3.38Å; G66-N293 PolarHBondContact N-O 2.91Å; G66-N293 VanDerWaalsContact N-O 3.16Å
67G97.8Very high96.9Very high26 Ų2622.4 Ų22.427%0.26811%0.109SC..THydrogen-bonded Turntrans-64.5-18.6179.200000113.8L288 E291G67-L288 PolarHBondContact N-O 3.39Å; G67-E291 PolarHBondContact N-O 2.96Å
68R96.5Very high97Very high167 Ų16719.8 Ų19.863%0.6310%0.097SC*.THydrogen-bonded Turntrans-114.820.5173.5-56.5-175.9-179.6175.7-1.9112G66 E70 E291G66-R68 PolarHBondContact O-N 3.48Å; R68-E70 PolarHBondContact O-N 2.85Å; R68-E291 CarbonylContact C-O 3.58Å; R68-E291 WeakPolarHBondContact CA-O 3.44Å; R68-E291 WeakPolarHBondContact CB-O 3.39Å; R68-E291 PolarHBondContact N-O 2.94Å
69F96Very high97Very high7 Ų719.9 Ų19.93%0.03110%0.098CC..  trans-65128.5175.9-176.5-100000109.5V65 G66 N73 C292 I294 F329V65-F69 HydrophobicContact CG1-CB 3.87Å; V65-F69 HydrophobicContact CG1-CD1 4.06Å; V65-F69 HydrophobicContact CG1-CG 4.14Å; G66-F69 VanDerWaalsContact O-CB 3.24Å; G66-F69 WeakPolarHBondContact O-CB 3.33Å; G66-F69 PolarHBondContact O-N 2.71Å; F69-N73 HydrophobicContact CD2-CB 3.77Å; F69-N73 HydrophobicContact CE2-CB 3.66Å; F69-C292 WeakPolarHBondContact CA-O 3.48Å; F69-C292 WeakPolarHBondContact CD2-O 3.49Å; F69-I294 HydrophobicContact CD1-CD1 4.17Å; F69-I294 HydrophobicContact CD1-CG1 4.2Å; F69-I294 HydrophobicContact CD2-CD1 4.24Å; F69-I294 HydrophobicContact CD2-CG1 3.67Å; F69-I294 HydrophobicContact CE1-CD1 3.69Å; F69-I294 HydrophobicContact CE1-CG1 4.15Å; F69-I294 HydrophobicContact CE2-CB 4.42Å; F69-I294 HydrophobicContact CE2-CD1 3.77Å; F69-I294 HydrophobicContact CE2-CG1 3.61Å; F69-I294 HydrophobicContact CG-CD1 4.44Å; F69-I294 HydrophobicContact CG-CG1 3.99Å; F69-I294 HydrophobicContact CZ-CD1 3.48Å; F69-I294 VanDerWaalsContact CZ-CD1 3.48Å; F69-I294 HydrophobicContact CZ-CG1 3.87Å; F69-F329 HydrophobicContact CB-CZ 4.46Å; F69-F329 AromaticContact CD1-CD1 3.65Å; F69-F329 HydrophobicContact CD1-CD1 3.65Å; F69-F329 AromaticContact CD1-CD2 3.9Å; F69-F329 HydrophobicContact CD1-CD2 3.9Å; F69-F329 AromaticContact CD1-CE1 3.5Å; F69-F329 HydrophobicContact CD1-CE1 3.5Å; F69-F329 VanDerWaalsContact CD1-CE1 3.5Å; F69-F329 AromaticContact CD1-CE2 3.76Å; F69-F329 HydrophobicContact CD1-CE2 3.76Å; F69-F329 AromaticContact CD1-CG 3.85Å; F69-F329 HydrophobicContact CD1-CG 3.85Å; F69-F329 AromaticContact CD1-CZ 3.58Å; F69-F329 HydrophobicContact CD1-CZ 3.58Å; F69-F329 HydrophobicContact CE1-CB 4.33Å; F69-F329 AromaticContact CE1-CD1 3.58Å; F69-F329 HydrophobicContact CE1-CD1 3.58Å; F69-F329 HydrophobicContact CE1-CD2 4.28Å; F69-F329 AromaticContact CE1-CE1 3.88Å; F69-F329 HydrophobicContact CE1-CE1 3.88Å; F69-F329 AromaticContact CE1-CG 3.8Å; F69-F329 HydrophobicContact CE1-CG 3.8Å; F69-F329 HydrophobicContact CE1-CZ 4.37Å; F69-F329 HydrophobicContact CG-CZ 4.49Å; F69-F329 WeakPolarHBondContact O-CZ 3.38Å
70E93.2Very high97Very high136 Ų13619.9 Ų19.964%0.63610%0.098SC*.  trans-120.6153.6172.1-68.4-179.6-178.200108.5R68 G72 N73R68-E70 PolarHBondContact O-N 2.85Å; E70-G72 PolarHBondContact O-N 2.74Å; E70-N73 PolarHBondContact N-ND2 3.41Å; E70-N73 VanDerWaalsContact N-ND2 3.19Å; E70-N73 VanDerWaalsContact O-CB 3.29Å; E70-N73 WeakPolarHBondContact O-CB 3Å; E70-N73 PolarHBondContact O-N 3.43Å
71T91.3Very high97Very high38 Ų3819.9 Ų19.923%0.23310%0.098CC..THydrogen-bonded Turntrans-54.1127176.9-60.40000111E330 H357T71-E330 HydrophobicContact CG2-CB 4.15Å; T71-E330 HydrophobicContact CG2-CG 3.95Å; T71-E330 WeakPolarHBondContact CG2-OE2 3.44Å; T71-H357 HydrophobicContact CG2-CB 3.6Å; T71-H357 WeakPolarHBondContact CG2-ND1 3.43Å
72G89.8Confident97Very high2 Ų219.7 Ų19.72%0.02110%0.097CC..THydrogen-bonded Turntrans88.54.9-176.400000114.8E70 S361 K364E70-G72 PolarHBondContact O-N 2.74Å; G72-S361 VanDerWaalsContact CA-OG 3.31Å; G72-S361 WeakPolarHBondContact CA-OG 3.36Å; G72-K364 WeakPolarHBondContact O-CD 3.32Å; G72-K364 WeakPolarHBondContact O-CE 3.32Å; G72-K364 PolarHBondContact O-NZ 3.39Å
73N94.4Very high97Very high27 Ų2719.7 Ų19.714%0.14410%0.097CC..  trans-76.6162.2165.1-73.5-11000111.9F69 E70 C292 S361F69-N73 HydrophobicContact CD2-CB 3.77Å; F69-N73 HydrophobicContact CE2-CB 3.66Å; E70-N73 PolarHBondContact N-ND2 3.41Å; E70-N73 VanDerWaalsContact N-ND2 3.19Å; E70-N73 VanDerWaalsContact O-CB 3.29Å; E70-N73 WeakPolarHBondContact O-CB 3Å; E70-N73 PolarHBondContact O-N 3.43Å; N73-C292 WeakPolarHBondContact CB-O 3.2Å; N73-C292 PolarHBondContact ND2-O 3.07Å; N73-S361 WeakPolarHBondContact O-CA 3.37Å; N73-S361 WeakPolarHBondContact O-CB 3.45Å; N73-S361 PolarHBondContact O-OG 2.76Å
74G95.6Very high97Very high0 Ų020 Ų200%010%0.099CC..  trans-81.7-178.9-170.600000114.3N293 I294 S361G74-N293 WeakPolarHBondContact CA-OD1 3.31Å; G74-N293 PolarHBondContact N-OD1 2.87Å; G74-N293 VanDerWaalsContact N-OD1 3.09Å; G74-N293 VanDerWaalsContact O-CA 3.23Å; G74-N293 WeakPolarHBondContact O-CA 3.45Å; G74-N293 WeakPolarHBondContact O-CB 3.39Å; G74-N293 VanDerWaalsContact O-CG 3.3Å; G74-N293 PolarHBondContact O-OD1 3.25Å; G74-I294 PolarHBondContact O-N 3.4Å; G74-S361 WeakPolarHBondContact CA-O 3.35Å
75F97.8Very high96.9Very high0 Ų020.7 Ų20.70%010%0.103CC..EExtended strand (participates in β ladder)trans-115140.1171.4-64.3-92.8000109.9L77 I294 L296 I322 L325 N326 S365 F366F75-L77 HydrophobicContact CB-CD1 3.45Å; F75-L77 VanDerWaalsContact CB-CD1 3.45Å; F75-L77 HydrophobicContact CB-CG 3.95Å; F75-I294 CarbonylContact C-O 3.54Å; F75-I294 VanDerWaalsContact CA-O 3.25Å; F75-I294 WeakPolarHBondContact CA-O 3.35Å; F75-I294 HydrophobicContact CD1-CB 3.58Å; F75-I294 HydrophobicContact CD1-CD1 4.43Å; F75-I294 HydrophobicContact CD1-CG2 3.82Å; F75-I294 HydrophobicContact CE1-CB 3.62Å; F75-I294 HydrophobicContact CE1-CD1 3.59Å; F75-I294 HydrophobicContact CE1-CG1 4.15Å; F75-I294 HydrophobicContact CE1-CG2 3.83Å; F75-I294 HydrophobicContact CZ-CD1 3.98Å; F75-L296 HydrophobicContact CB-CD1 4.28Å; F75-L296 HydrophobicContact CD1-CD1 3.45Å; F75-L296 VanDerWaalsContact CD1-CD1 3.45Å; F75-L296 HydrophobicContact CD1-CD2 4.43Å; F75-L296 HydrophobicContact CD1-CG 3.82Å; F75-L296 HydrophobicContact CE1-CD1 4.12Å; F75-L296 HydrophobicContact CG-CD1 4.12Å; F75-I322 HydrophobicContact CD2-CG2 3.89Å; F75-I322 HydrophobicContact CE1-CG2 4.16Å; F75-I322 HydrophobicContact CE2-CG2 3.46Å; F75-I322 VanDerWaalsContact CE2-CG2 3.46Å; F75-I322 HydrophobicContact CG-CG2 4.44Å; F75-I322 HydrophobicContact CZ-CG2 3.63Å; F75-L325 HydrophobicContact CE1-CD1 4.38Å; F75-N326 WeakPolarHBondContact CE2-ND2 3.23Å; F75-N326 WeakPolarHBondContact CZ-ND2 3.39Å; F75-S365 WeakPolarHBondContact CB-OG 3.39Å; F75-S365 WeakPolarHBondContact CD2-OG 3.41Å; F75-S365 PolarHBondContact N-OG 3Å; F75-S365 VanDerWaalsContact O-CA 3.25Å; F75-S365 WeakPolarHBondContact O-CA 3.23Å; F75-S365 WeakPolarHBondContact O-CB 3.3Å; F75-F366 PolarHBondContact O-N 3.16Å
76T98.5Very high96.9Very high0 Ų021.3 Ų21.30%011%0.107CC..EExtended strand (participates in β ladder)trans-100.697.9167.7-550000107N293 I294 L296 Y486 Y487 L490T76-N293 PolarHBondContact OG1-ND2 3.33Å; T76-I294 PolarHBondContact N-O 3.19Å; T76-L296 PolarHBondContact O-N 3.46Å; T76-Y486 HydrophobicContact CG2-CD1 4.04Å; T76-Y486 HydrophobicContact CG2-CE1 3.49Å; T76-Y486 VanDerWaalsContact CG2-CE1 3.49Å; T76-Y486 HydrophobicContact CG2-CE2 4.19Å; T76-Y487 HydrophobicContact CG2-CD1 3.57Å; T76-Y487 HydrophobicContact CG2-CE1 4.08Å; T76-Y487 HydrophobicContact CG2-CG 4.43Å; T76-Y487 WeakPolarHBondContact O-CE1 3.36Å; T76-L490 HydrophobicContact CG2-CB 4.01Å; T76-L490 HydrophobicContact CG2-CD2 3.49Å; T76-L490 VanDerWaalsContact CG2-CD2 3.49Å; T76-L490 HydrophobicContact CG2-CG 4.38Å
77L98.5Very high96.9Very high3 Ų321.3 Ų21.32%0.01611%0.107CC..EExtended strand (participates in β ladder)trans-101.1138.7-172-56.193.3000112.2F75 L296 I322 F366 L367 V368 L450 Y486F75-L77 HydrophobicContact CB-CD1 3.45Å; F75-L77 VanDerWaalsContact CB-CD1 3.45Å; F75-L77 HydrophobicContact CB-CG 3.95Å; L77-L296 HydrophobicContact CD2-CD1 3.93Å; L77-L296 HydrophobicContact CG-CB 4.24Å; L77-L296 HydrophobicContact CG-CD1 4.07Å; L77-I322 HydrophobicContact CD2-CD1 3.81Å; L77-F366 VanDerWaalsContact CD1-O 3.24Å; L77-F366 WeakPolarHBondContact CD1-O 3.46Å; L77-F366 PolarHBondContact N-O 2.87Å; L77-L367 HydrophobicContact CB-CB 4.32Å; L77-L367 HydrophobicContact CB-CD1 3.61Å; L77-V368 PolarHBondContact O-N 2.66Å; L77-L450 HydrophobicContact CD2-CD1 4.25Å; L77-Y486 PolarHBondContact N-OH 3.35Å; L77-Y486 WeakPolarHBondContact O-CE1 3.48Å; L77-Y486 PolarHBondContact O-OH 3.32Å
78L98.8Very high96.9Very high0 Ų021.6 Ų21.60%010%0.1CC..EExtended strand (participates in β ladder)trans-124.8128.1163.5-171.6161.1000108.5A80 L296 L297 C298 V368 A370 F483 Y486 Y487L78-A80 HydrophobicContact CD2-CB 4.41Å; L78-L296 PolarHBondContact N-O 3.23Å; L78-L297 HydrophobicContact CB-CD1 4.43Å; L78-L297 HydrophobicContact CD2-CD1 3.69Å; L78-L297 WeakPolarHBondContact O-CA 3.35Å; L78-C298 PolarHBondContact O-N 3.28Å; L78-V368 CarbonylContact C-O 3.49Å; L78-V368 WeakPolarHBondContact CA-O 3.35Å; L78-V368 HydrophobicContact CG-CG1 4.4Å; L78-A370 HydrophobicContact CD2-CB 4.06Å; L78-A370 HydrophobicContact CG-CB 4.4Å; L78-F483 HydrophobicContact CD1-CB 4.07Å; L78-F483 HydrophobicContact CD1-CD1 3.26Å; L78-F483 HydrophobicContact CD1-CD2 4.17Å; L78-F483 HydrophobicContact CD1-CE1 3.61Å; L78-F483 HydrophobicContact CD1-CE2 4.45Å; L78-F483 HydrophobicContact CD1-CG 3.58Å; L78-F483 HydrophobicContact CD1-CZ 4.21Å; L78-F483 HydrophobicContact CG-CD1 4.46Å; L78-F483 HydrophobicContact CG-CE1 4.44Å; L78-Y486 HydrophobicContact CB-CE1 4.43Å; L78-Y487 HydrophobicContact CB-CE2 4.49Å; L78-Y487 WeakPolarHBondContact CB-OH 3.39Å; L78-Y487 HydrophobicContact CD1-CE2 4.25Å
79G98.7Very high97Very high1 Ų114.4 Ų14.41%0.017%0.074CC..EExtended strand (participates in β ladder)trans-112.3137.6172.400000111C298 V368 A370G79-C298 CarbonylContact C-O 3.54Å; G79-C298 VanDerWaalsContact CA-O 3.27Å; G79-C298 WeakPolarHBondContact CA-O 3.44Å; G79-V368 PolarHBondContact N-O 2.87Å; G79-A370 PolarHBondContact O-N 3.4Å
80A98.8Very high97.1Very high0 Ų015.7 Ų15.70%08%0.08CC..EExtended strand (participates in β ladder)trans-142.5-173.5166.600000108.8L78 N273 C298 L299 F300 A370L78-A80 HydrophobicContact CD2-CB 4.41Å; A80-N273 HydrophobicContact CB-CB 4.08Å; A80-C298 PolarHBondContact N-O 3.35Å; A80-L299 HydrophobicContact CB-CD2 3.89Å; A80-L299 WeakPolarHBondContact O-CA 3.47Å; A80-F300 WeakPolarHBondContact O-CD2 3.11Å; A80-F300 PolarHBondContact O-N 3.13Å; A80-A370 WeakPolarHBondContact CA-O 3.43Å; A80-A370 WeakPolarHBondContact CB-O 3.37Å
81H98.8Very high97.2Very high1 Ų113 Ų131%0.0057%0.074CC..EExtended strand (participates in β ladder)trans-132.8156.8176.662.698.7000114.5D83 N270 S274 F300 E303 E304 D371H81-D83 IonicContact CG-OD1 3.44Å; H81-D83 PolarHBondContact ND1-O 2.86Å; H81-D83 IonicContact ND1-OD1 3.57Å; H81-N270 PolarHBondContact CD2-ND2 2.81Å; H81-N270 WeakPolarHBondContact CE1-CB 3.18Å; H81-N270 PolarHBondContact N-ND2 2.88Å; H81-N270 WeakPolarHBondContact NE2-CB 3.43Å; H81-N270 PolarHBondContact NE2-ND2 3.46Å; H81-S274 PolarHBondContact O-OG 2.79Å; H81-F300 CarbonylContact C-O 3.58Å; H81-F300 WeakPolarHBondContact CA-O 3.06Å; H81-F300 WeakPolarHBondContact CB-O 3.44Å; H81-E303 HydrophobicContact CB-CB 3.48Å; H81-E303 VanDerWaalsContact CB-CB 3.48Å; H81-E303 HydrophobicContact CB-CG 3.98Å; H81-E303 VanDerWaalsContact CD2-CG 3.46Å; H81-E303 WeakPolarHBondContact CD2-CG 3.31Å; H81-E303 IonicContact CE1-OE2 3.43Å; H81-E303 IonicContact NE2-OE2 2.82Å; H81-E304 IonicContact CE1-OE1 2.87Å; H81-D371 IonicContact NE2-OD1 3.6Å
82T98.7Very high97.4Very high2 Ų215.8 Ų15.81%0.0129%0.088CC..  trans-103.6-16.8-171.963.20000112.9V21 I22 S58 L299 F300V21-T82 HydrophobicContact CB-CG2 4.33Å; V21-T82 HydrophobicContact CG1-CG2 3.71Å; I22-T82 HydrophobicContact CD1-CG2 4.02Å; S58-T82 PolarHBondContact O-OG1 2.89Å; T82-L299 HydrophobicContact CG2-CB 3.59Å; T82-F300 PolarHBondContact N-O 3.42Å; T82-F300 PolarHBondContact OG1-O 3.32Å
83D98.5Very high97.7Very high1 Ų115.7 Ų15.71%0.0059%0.087CC..  trans-91.4159.5178.765.7-53000113P18 H81 Y108 D301 H302 E303 E304P18-D83 HydrophobicContact CG-CB 3.93Å; H81-D83 IonicContact CG-OD1 3.44Å; H81-D83 PolarHBondContact ND1-O 2.86Å; H81-D83 IonicContact ND1-OD1 3.57Å; D83-Y108 HydrophobicContact CB-CE1 3.99Å; D83-Y108 PolarHBondContact OD2-OH 3.37Å; D83-D301 WeakPolarHBondContact CB-OD1 3.12Å; D83-H302 VanDerWaalsContact CG-N 3.28Å; D83-H302 PolarHBondContact OD1-N 2.82Å; D83-H302 WeakPolarHBondContact OD2-CA 2.98Å; D83-H302 PolarHBondContact OD2-N 2.96Å; D83-E303 PolarHBondContact OD1-N 3.5Å; D83-E303 PolarHBondContact OD2-N 3.39Å; D83-E304 VanDerWaalsContact OD2-CB 3.29Å; D83-E304 WeakPolarHBondContact OD2-CB 3.21Å; D83-E304 WeakPolarHBondContact OD2-CG 3.26Å; D83-E304 PolarHBondContact OD2-N 3.23Å
84S98.5Very high97.8Very high9 Ų917.4 Ų17.46%0.0639%0.094CC..  trans-151.3158.3178.9-480000108.8C86 Y108 R267 D269S84-C86 PolarHBondContact O-N 3.14Å; S84-Y108 WeakPolarHBondContact O-CD1 3.3Å; S84-R267 WeakPolarHBondContact OG-CB 3.3Å; S84-R267 WeakPolarHBondContact OG-CG 3.44Å; S84-D269 VanDerWaalsContact CB-O 3.31Å; S84-D269 WeakPolarHBondContact CB-O 3.26Å; S84-D269 PolarHBondContact OG-O 3.13Å
85P98.3Very high97.8Very high13 Ų1321 Ų218%0.08411%0.107CC..  trans-60.5132.9177.2-24.836.4000112.3Y108 W113 E304 H465P85-Y108 WeakPolarHBondContact CA-O 3.38Å; P85-Y108 WeakPolarHBondContact CB-O 3.5Å; P85-W113 HydrophobicContact CB-CH2 4.2Å; P85-E304 WeakPolarHBondContact CD-OE1 3.39Å; P85-E304 HydrophobicContact CG-CG 4.38Å; P85-H465 HydrophobicContact CG-CB 4.05Å
86C98.3Very high97.7Very high14 Ų1425.2 Ų25.210%0.09513%0.129CC..EExtended strand (participates in β ladder)trans-156.8172.7-177.959.90000112.5S84 Y108 W116 C246S84-C86 PolarHBondContact O-N 3.14Å; C86-Y108 PolarHBondContact N-O 3.13Å; C86-Y108 WeakPolarHBondContact O-CB 3.39Å; C86-Y108 PolarHBondContact O-N 3.18Å; C86-W116 HydrophobicContact CB-CH2 3.91Å; C86-W116 HydrophobicContact CB-CZ2 4.2Å; C86-C246 HydrophobicContact CB-CB 4.49Å
87L98.5Very high97.5Very high0 Ų031 Ų310%015%0.154CC..EExtended strand (participates in β ladder)trans-93.2111171.1-56.4178000109V105 T107 W113 W116 V150 L174 P176 C246 F247L87-V105 HydrophobicContact CB-CB 4.2Å; L87-V105 HydrophobicContact CB-CG1 4.37Å; L87-V105 HydrophobicContact CB-CG2 4.28Å; L87-V105 HydrophobicContact CD2-CG2 4.41Å; L87-T107 HydrophobicContact CD2-CG2 4.26Å; L87-W113 HydrophobicContact CD2-CE3 3.92Å; L87-W113 HydrophobicContact CD2-CZ3 3.92Å; L87-W116 HydrophobicContact CD1-CD2 4.31Å; L87-W116 HydrophobicContact CD1-CE3 3.83Å; L87-W116 HydrophobicContact CD1-CZ3 4.44Å; L87-W116 HydrophobicContact CG-CD2 4.23Å; L87-W116 HydrophobicContact CG-CE3 3.92Å; L87-W116 HydrophobicContact CG-CZ3 4.22Å; L87-V150 HydrophobicContact CD1-CG2 4.46Å; L87-L174 HydrophobicContact CD2-CD1 4.07Å; L87-P176 HydrophobicContact CD1-CG 4.45Å; L87-C246 CarbonylContact O-C 3.57Å; L87-C246 VanDerWaalsContact O-CA 3.27Å; L87-C246 WeakPolarHBondContact O-CA 3.07Å; L87-C246 WeakPolarHBondContact O-CB 3.35Å; L87-F247 HydrophobicContact CB-CB 4.35Å; L87-F247 HydrophobicContact CB-CD2 4.12Å; L87-F247 PolarHBondContact O-N 3.2Å
88R98.4Very high97.4Very high33 Ų3338.4 Ų38.413%0.12519%0.189CC..EExtended strand (participates in β ladder)trans-93.4144.5178.1-70.2-168.5178.9-145.25.4111V105 E106 Y108 E244 C246R88-V105 CarbonylContact O-C 3.43Å; R88-V105 WeakPolarHBondContact O-CA 3.24Å; R88-V105 VanDerWaalsContact O-CB 3.31Å; R88-V105 WeakPolarHBondContact O-CB 3.32Å; R88-E106 HydrophobicContact CB-CG 3.99Å; R88-E106 PolarHBondContact N-O 2.82Å; R88-E106 PolarHBondContact O-N 2.79Å; R88-Y108 HydrophobicContact CG-CG 4.32Å; R88-Y108 VanDerWaalsContact CZ-CE2 3.43Å; R88-Y108 VanDerWaalsContact NE-CG 3.3Å; R88-Y108 VanDerWaalsContact NH2-CE2 3.28Å; R88-Y108 PolarHBondContact NH2-OH 2.75Å; R88-E244 IonicContact NH1-OE1 3.3Å; R88-C246 HydrophobicContact CG-CB 3.97Å
89L98.1Very high97.3Very high15 Ų1540.3 Ų40.38%0.07921%0.209CC..EExtended strand (participates in β ladder)trans-73.1132.5-179.3-16868.2000111L103 L225 L243 L245L89-L103 HydrophobicContact CD1-CB 3.84Å; L89-L103 HydrophobicContact CD1-CD1 4.12Å; L89-L103 HydrophobicContact CD1-CD2 4.14Å; L89-L103 HydrophobicContact CD1-CG 4.24Å; L89-L225 HydrophobicContact CD2-CD2 4.28Å; L89-L243 HydrophobicContact CD2-CD1 4.2Å; L89-L245 HydrophobicContact CB-CB 4.27Å; L89-L245 WeakPolarHBondContact CB-O 3.44Å; L89-L245 HydrophobicContact CD2-CB 4.28Å; L89-L245 HydrophobicContact CD2-CD1 4.13Å; L89-L245 PolarHBondContact N-O 3.14Å
90K98Very high97.2Very high35 Ų3545.3 Ų45.315%0.15223%0.228CC..EExtended strand (participates in β ladder)trans-73.8151.1173.6-72.8178.9171.5171.50111.6N92 S93 G104 V105 E106 E171K90-N92 VanDerWaalsContact C-N 3.27Å; K90-N92 PolarHBondContact O-N 3.38Å; K90-S93 WeakPolarHBondContact O-CB 3.47Å; K90-S93 PolarHBondContact O-N 3.32Å; K90-G104 WeakPolarHBondContact CB-O 3.48Å; K90-G104 PolarHBondContact N-O 3.16Å; K90-V105 WeakPolarHBondContact CE-O 3.35Å; K90-V105 PolarHBondContact NZ-O 3.36Å; K90-E106 HydrophobicContact CG-CB 4.42Å; K90-E171 IonicContact NZ-OE1 3.78Å; K90-E171 PolarHBondContact NZ-OE1 2.9Å; K90-E171 IonicContact NZ-OE2 3.88Å; K90-E171 PolarHBondContact NZ-OE2 2.86Å
91P95.6Very high97.1Very high78 Ų7845.7 Ų45.751%0.50623%0.23SC..EExtended strand (participates in β ladder)trans-57.4-36177.4-27.234.7000114.1H221P91-H221 PolarHBondContact O-CE1 3.45Å; P91-H221 PolarHBondContact O-NE2 3.01Å
92N95.7Very high97.1Very high98 Ų9847.2 Ų47.252%0.52424%0.237SC..EExtended strand (participates in β ladder)trans-10894.5165.2-61.7-54.2000107.7K90 R95 R220K90-N92 VanDerWaalsContact C-N 3.27Å; K90-N92 PolarHBondContact O-N 3.38Å; N92-R95 PolarHBondContact O-NH1 2.88Å; N92-R95 PolarHBondContact O-NH2 3.21Å; N92-R220 CarbonylContact C-O 3.59Å; N92-R220 WeakPolarHBondContact CA-O 3.49Å; N92-R220 WeakPolarHBondContact OD1-CG 3.41Å
93S96.3Very high97Very high0 Ų047.1 Ų47.10%024%0.237CC..EExtended strand (participates in β ladder)trans-96.8-21.1-172.168.80000114.5K90 R95 L103 G104 R220 H221K90-S93 WeakPolarHBondContact O-CB 3.47Å; K90-S93 PolarHBondContact O-N 3.32Å; S93-R95 PolarHBondContact O-N 2.79Å; S93-R95 PolarHBondContact O-NH1 3.28Å; S93-L103 CarbonylContact O-C 3.46Å; S93-L103 WeakPolarHBondContact O-CA 3.38Å; S93-G104 PolarHBondContact O-N 2.86Å; S93-R220 PolarHBondContact N-O 2.91Å; S93-R220 PolarHBondContact OG-O 2.75Å; S93-H221 PolarHBondContact OG-ND1 2.76Å
94E95.9Very high97Very high62 Ų6247.1 Ų47.129%0.2924%0.236SC..EExtended strand (participates in β ladder)trans-62128.6-176.7-175.5174.6-153.200110.8N219 R220 P222E94-N219 VanDerWaalsContact OE2-CB 3.31Å; E94-N219 WeakPolarHBondContact OE2-CB 3.39Å; E94-R220 PolarHBondContact N-O 3.3Å; E94-R220 VanDerWaalsContact N-O 3.14Å; E94-P222 HydrophobicContact CB-CG 4.22Å; E94-P222 HydrophobicContact CG-CG 4.16Å
95R95.3Very high97Very high76 Ų7646.9 Ų46.929%0.28723%0.234SC..EExtended strand (participates in β ladder)trans-133.2133.1171.8-61.6-64.7179.5-78.3-4108.1N92 S93 I101 Q102N92-R95 PolarHBondContact O-NH1 2.88Å; N92-R95 PolarHBondContact O-NH2 3.21Å; S93-R95 PolarHBondContact O-N 2.79Å; S93-R95 PolarHBondContact O-NH1 3.28Å; R95-I101 WeakPolarHBondContact O-CA 3.32Å; R95-Q102 HydrophobicContact CB-CB 3.98Å; R95-Q102 PolarHBondContact N-O 2.73Å; R95-Q102 VanDerWaalsContact N-O 3.07Å; R95-Q102 PolarHBondContact O-N 2.89Å
96L94.9Very high97Very high89 Ų8950.9 Ų50.947%0.46625%0.252SS..EExtended strand (participates in β ladder)trans-123.3115.7173.4177.365000108.7Y100 I101 R181L96-Y100 WeakPolarHBondContact CA-O 3.3Å; L96-I101 HydrophobicContact CD1-CG1 4.22Å; L96-R181 HydrophobicContact CD1-CB 4.06Å; L96-R181 HydrophobicContact CD1-CG 4.4Å
97K95Very high97Very high120 Ų12052.7 Ų52.752%0.52226%0.263SS..EExtended strand (participates in β ladder)trans-147.4134.3-177.5-171.2177.3177.2-176.20110.6G99 Y100K97-G99 PolarHBondContact O-N 2.87Å; K97-Y100 PolarHBondContact N-O 3.17Å; K97-Y100 WeakPolarHBondContact O-CB 3.22Å; K97-Y100 PolarHBondContact O-N 3.2Å
98E96Very high97Very high159 Ų15953.6 Ų53.674%0.74327%0.267SS*.THydrogen-bonded Turntrans4735.5-178.4-53.8-44.2137.900114.7Y100E98-Y100 VanDerWaalsContact C-N 3.27Å; E98-Y100 HydrophobicContact CB-CD2 4.3Å; E98-Y100 VanDerWaalsContact O-CD2 3.28Å; E98-Y100 WeakPolarHBondContact O-CD2 3.4Å; E98-Y100 PolarHBondContact O-N 3.06Å
99G96.4Very high96.9Very high40 Ų4053.1 Ų53.141%0.41227%0.271SS..THydrogen-bonded Turntrans77.93.2-178.200000115.5K97 R181K97-G99 PolarHBondContact O-N 2.87Å; G99-R181 WeakPolarHBondContact O-CB 3.28Å; G99-R181 PolarHBondContact O-N 2.86Å
100Y97.8Very high96.8Very high107 Ų10754.8 Ų54.842%0.4229%0.293SS..EExtended strand (participates in β ladder)trans-99.5136.5173.4-61.9-81.7000111.4L96 K97 E98 I177 T180L96-Y100 WeakPolarHBondContact CA-O 3.3Å; K97-Y100 PolarHBondContact N-O 3.17Å; K97-Y100 WeakPolarHBondContact O-CB 3.22Å; K97-Y100 PolarHBondContact O-N 3.2Å; E98-Y100 VanDerWaalsContact C-N 3.27Å; E98-Y100 HydrophobicContact CB-CD2 4.3Å; E98-Y100 VanDerWaalsContact O-CD2 3.28Å; E98-Y100 WeakPolarHBondContact O-CD2 3.4Å; E98-Y100 PolarHBondContact O-N 3.06Å; Y100-I177 HydrophobicContact CD1-CD1 4.13Å; Y100-I177 HydrophobicContact CD1-CG2 3.76Å; Y100-I177 HydrophobicContact CE1-CD1 4.48Å; Y100-I177 HydrophobicContact CG-CD1 4.3Å; Y100-I177 HydrophobicContact CG-CG2 4.38Å; Y100-T180 HydrophobicContact CD1-CG2 4.15Å; Y100-T180 HydrophobicContact CE1-CG2 4.01Å
101I97.2Very high96.7Very high7 Ų753.6 Ų53.64%0.03629%0.29CS..EExtended strand (participates in β ladder)trans-87.8120.8165.6-61179.4000106.9R95 L96 L178 C179 E184 P222R95-I101 WeakPolarHBondContact O-CA 3.32Å; L96-I101 HydrophobicContact CD1-CG1 4.22Å; I101-L178 PolarHBondContact O-N 3.22Å; I101-C179 PolarHBondContact N-O 2.63Å; I101-C179 PolarHBondContact O-N 3.09Å; I101-E184 HydrophobicContact CD1-CB 3.61Å; I101-E184 HydrophobicContact CD1-CG 3.73Å; I101-P222 HydrophobicContact CG2-CB 3.92Å; I101-P222 HydrophobicContact CG2-CG 3.77Å
102Q97.8Very high96.7Very high33 Ų3352.6 Ų52.615%0.15428%0.28CS..EExtended strand (participates in β ladder)trans-120.5164.6180-56.2177.8-77.800110.2R95 S175 P176 I177R95-Q102 HydrophobicContact CB-CB 3.98Å; R95-Q102 PolarHBondContact N-O 2.73Å; R95-Q102 VanDerWaalsContact N-O 3.07Å; R95-Q102 PolarHBondContact O-N 2.89Å; Q102-S175 PolarHBondContact NE2-O 3.33Å; Q102-P176 CarbonylContact C-O 3.51Å; Q102-P176 WeakPolarHBondContact CA-O 3.3Å; Q102-P176 WeakPolarHBondContact CB-O 3.25Å; Q102-I177 HydrophobicContact CG-CG1 4.06Å
103L97.7Very high96.8Very high1 Ų150.1 Ų50.11%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-107125172.2-66.4175.6000110.3L89 S93 V105 S175 P176 P222 L225 F247L89-L103 HydrophobicContact CD1-CB 3.84Å; L89-L103 HydrophobicContact CD1-CD1 4.12Å; L89-L103 HydrophobicContact CD1-CD2 4.14Å; L89-L103 HydrophobicContact CD1-CG 4.24Å; S93-L103 CarbonylContact O-C 3.46Å; S93-L103 WeakPolarHBondContact O-CA 3.38Å; L103-V105 PolarHBondContact O-N 2.79Å; L103-S175 WeakPolarHBondContact O-CA 3.27Å; L103-P176 PolarHBondContact N-O 2.98Å; L103-P176 WeakPolarHBondContact O-CD 3.21Å; L103-P222 HydrophobicContact CD2-CG 3.66Å; L103-L225 HydrophobicContact CD1-CD2 4.18Å; L103-L225 HydrophobicContact CD2-CD2 3.95Å; L103-F247 HydrophobicContact CB-CE2 4.46Å; L103-F247 HydrophobicContact CB-CZ 4.3Å; L103-F247 HydrophobicContact CD1-CE2 4.45Å; L103-F247 HydrophobicContact CD1-CZ 3.73Å
104G97.8Very high96.9Very high0 Ų056.4 Ų56.40%029%0.288CS..EExtended strand (participates in β ladder)trans-69122.2169.500000109.5K90 S93K90-G104 WeakPolarHBondContact CB-O 3.48Å; K90-G104 PolarHBondContact N-O 3.16Å; S93-G104 PolarHBondContact O-N 2.86Å
105V98.4Very high96.9Very high4 Ų454.5 Ų54.52%0.02428%0.281CS..EExtended strand (participates in β ladder)trans-124162.1-177.7-62.60000111.4L87 R88 K90 L103 L174 P176 F247L87-V105 HydrophobicContact CB-CB 4.2Å; L87-V105 HydrophobicContact CB-CG1 4.37Å; L87-V105 HydrophobicContact CB-CG2 4.28Å; L87-V105 HydrophobicContact CD2-CG2 4.41Å; R88-V105 CarbonylContact O-C 3.43Å; R88-V105 WeakPolarHBondContact O-CA 3.24Å; R88-V105 VanDerWaalsContact O-CB 3.31Å; R88-V105 WeakPolarHBondContact O-CB 3.32Å; K90-V105 WeakPolarHBondContact CE-O 3.35Å; K90-V105 PolarHBondContact NZ-O 3.36Å; L103-V105 PolarHBondContact O-N 2.79Å; V105-L174 HydrophobicContact CG2-CB 4.32Å; V105-L174 WeakPolarHBondContact CG2-O 3.33Å; V105-P176 HydrophobicContact CG1-CG 4.29Å; V105-F247 HydrophobicContact CG1-CD2 3.94Å; V105-F247 HydrophobicContact CG1-CE2 3.58Å
106E97.9Very high97.1Very high97 Ų9751.4 Ų51.445%0.45327%0.269SS..EExtended strand (participates in β ladder)trans-122149.7167.264.6-172177.400110.5R88 K90R88-E106 HydrophobicContact CB-CG 3.99Å; R88-E106 PolarHBondContact N-O 2.82Å; R88-E106 PolarHBondContact O-N 2.79Å; K90-E106 HydrophobicContact CG-CB 4.42Å
107T98.2Very high97.2Very high53 Ų5348 Ų4833%0.32525%0.251SS..EExtended strand (participates in β ladder)trans-79122.3175.749.10000109.9L87 W113 L174L87-T107 HydrophobicContact CD2-CG2 4.26Å; T107-W113 HydrophobicContact CG2-CD2 3.68Å; T107-W113 VanDerWaalsContact CG2-CE2 3.41Å; T107-W113 HydrophobicContact CG2-CE3 4.06Å; T107-W113 HydrophobicContact CG2-CG 4.24Å; T107-W113 HydrophobicContact CG2-CH2 4.01Å; T107-W113 HydrophobicContact CG2-CZ2 3.62Å; T107-W113 HydrophobicContact CG2-CZ3 4.22Å; T107-L174 HydrophobicContact CG2-CD1 3.71Å
108Y98.2Very high97.4Very high19 Ų1946.9 Ų46.98%0.07525%0.251CS..EExtended strand (participates in β ladder)trans-100.2126.1174.5-179.9-95.3000110.4D83 S84 P85 C86 R88 W113 H302 E304 V305D83-Y108 HydrophobicContact CB-CE1 3.99Å; D83-Y108 PolarHBondContact OD2-OH 3.37Å; S84-Y108 WeakPolarHBondContact O-CD1 3.3Å; P85-Y108 WeakPolarHBondContact CA-O 3.38Å; P85-Y108 WeakPolarHBondContact CB-O 3.5Å; C86-Y108 PolarHBondContact N-O 3.13Å; C86-Y108 WeakPolarHBondContact O-CB 3.39Å; C86-Y108 PolarHBondContact O-N 3.18Å; R88-Y108 HydrophobicContact CG-CG 4.32Å; R88-Y108 VanDerWaalsContact CZ-CE2 3.43Å; R88-Y108 VanDerWaalsContact NE-CG 3.3Å; R88-Y108 VanDerWaalsContact NH2-CE2 3.28Å; R88-Y108 PolarHBondContact NH2-OH 2.75Å; Y108-W113 WeakPolarHBondContact O-CH2 3.36Å; Y108-H302 VanDerWaalsContact OH-CA 3.31Å; Y108-H302 WeakPolarHBondContact OH-CA 3.32Å; Y108-H302 PolarHBondContact OH-CD2 2.87Å; Y108-E304 HydrophobicContact CE1-CB 4Å; Y108-V305 HydrophobicContact CD2-CG1 3.75Å; Y108-V305 HydrophobicContact CE1-CG1 4.36Å; Y108-V305 HydrophobicContact CE2-CB 4.39Å; Y108-V305 HydrophobicContact CE2-CG1 3.44Å; Y108-V305 VanDerWaalsContact CE2-CG1 3.44Å; Y108-V305 HydrophobicContact CE2-CG2 4Å; Y108-V305 HydrophobicContact CG-CG1 4.36Å
109G96.9Very high97.5Very high22 Ų2243.2 Ų43.223%0.22723%0.23CC..SBendtrans68.9-168-175.500000114.2G111 W113 E304G109-G111 PolarHBondContact O-N 3.09Å; G109-W113 WeakPolarHBondContact O-CZ2 3.46Å; G109-E304 WeakPolarHBondContact CA-O 3.09Å
110G95.3Very high97.5Very high51 Ų5146.3 Ų46.353%0.52624%0.237SC..SBendtrans-97.364.4-17700000114.2H465G110-H465 PolarHBondContact O-ND1 3.3Å
111G96.3Very high97.6Very high10 Ų1041.2 Ų41.210%0.10322%0.217CC..  trans-75.9152.6-174.300000116.7G109 W113G109-G111 PolarHBondContact O-N 3.09Å; G111-W113 VanDerWaalsContact C-N 3.27Å; G111-W113 VanDerWaalsContact CA-CZ2 3.44Å; G111-W113 PolarHBondContact O-N 2.95Å; G111-W113 PolarHBondContact O-NE1 2.84Å
112L96.7Very high97.6Very high57 Ų5742.3 Ų42.330%0.29822%0.222SC..  trans-78.973.6165.4-60.9177.5000110.1Y114 T115 H465L112-Y114 VanDerWaalsContact C-N 3.25Å; L112-Y114 HydrophobicContact CB-CE1 3.95Å; L112-Y114 HydrophobicContact CD2-CE1 4.06Å; L112-Y114 PolarHBondContact O-N 3.14Å; L112-Y114 VanDerWaalsContact O-N 3.09Å; L112-T115 HydrophobicContact CB-CG2 3.99Å; L112-T115 WeakPolarHBondContact O-CB 3.44Å; L112-T115 PolarHBondContact O-N 2.92Å; L112-T115 PolarHBondContact O-OG1 2.8Å; L112-H465 HydrophobicContact CG-CB 4.48Å; L112-H465 PolarHBondContact N-O 3Å
113W97.7Very high97.7Very high46 Ų4640.8 Ų40.817%0.17422%0.215CC..G310 helixtrans-58.2-28.6-167.4-53.9121.9000115.7P85 L87 T107 Y108 G109 G111 T115 W116 L174P85-W113 HydrophobicContact CB-CH2 4.2Å; L87-W113 HydrophobicContact CD2-CE3 3.92Å; L87-W113 HydrophobicContact CD2-CZ3 3.92Å; T107-W113 HydrophobicContact CG2-CD2 3.68Å; T107-W113 VanDerWaalsContact CG2-CE2 3.41Å; T107-W113 HydrophobicContact CG2-CE3 4.06Å; T107-W113 HydrophobicContact CG2-CG 4.24Å; T107-W113 HydrophobicContact CG2-CH2 4.01Å; T107-W113 HydrophobicContact CG2-CZ2 3.62Å; T107-W113 HydrophobicContact CG2-CZ3 4.22Å; Y108-W113 WeakPolarHBondContact O-CH2 3.36Å; G109-W113 WeakPolarHBondContact O-CZ2 3.46Å; G111-W113 VanDerWaalsContact C-N 3.27Å; G111-W113 VanDerWaalsContact CA-CZ2 3.44Å; G111-W113 PolarHBondContact O-N 2.95Å; G111-W113 PolarHBondContact O-NE1 2.84Å; W113-T115 PolarHBondContact O-N 2.75Å; W113-W116 WeakPolarHBondContact O-CB 3.38Å; W113-W116 PolarHBondContact O-N 3.2Å; W113-L174 HydrophobicContact CB-CD1 4.11Å; W113-L174 HydrophobicContact CB-CD2 4.36Å; W113-L174 HydrophobicContact CG-CD1 4.21Å
114Y96.6Very high97.7Very high131 Ų13140.8 Ų40.851%0.51421%0.214SC..G310 helixtrans-62.4-22.5175.163.4-91.8000113.1L112 W116L112-Y114 VanDerWaalsContact C-N 3.25Å; L112-Y114 HydrophobicContact CB-CE1 3.95Å; L112-Y114 HydrophobicContact CD2-CE1 4.06Å; L112-Y114 PolarHBondContact O-N 3.14Å; L112-Y114 VanDerWaalsContact O-N 3.09Å; Y114-W116 VanDerWaalsContact C-N 3.27Å; Y114-W116 PolarHBondContact O-N 3.25Å
115T97.5Very high97.7Very high22 Ų2240.8 Ų40.814%0.13522%0.215CC..G310 helixtrans-78.5-10179.766.80000113.9L112 W113 R119 S466 C467L112-T115 HydrophobicContact CB-CG2 3.99Å; L112-T115 WeakPolarHBondContact O-CB 3.44Å; L112-T115 PolarHBondContact O-N 2.92Å; L112-T115 PolarHBondContact O-OG1 2.8Å; W113-T115 PolarHBondContact O-N 2.75Å; T115-R119 WeakPolarHBondContact O-CG 3.44Å; T115-R119 PolarHBondContact O-NE 2.97Å; T115-S466 WeakPolarHBondContact CB-OG 3.36Å; T115-S466 WeakPolarHBondContact CG2-OG 3.31Å; T115-S466 PolarHBondContact OG1-OG 3.48Å; T115-C467 WeakPolarHBondContact O-CB 3.28Å; T115-C467 PolarHBondContact OG1-N 3Å
116W98.2Very high97.7Very high12 Ų1241.6 Ų41.65%0.04522%0.217CC..G310 helixtrans-88.1-13.7176.8-71.974.2000113.3C86 L87 W113 Y114 L121 F247 C467C86-W116 HydrophobicContact CB-CH2 3.91Å; C86-W116 HydrophobicContact CB-CZ2 4.2Å; L87-W116 HydrophobicContact CD1-CD2 4.31Å; L87-W116 HydrophobicContact CD1-CE3 3.83Å; L87-W116 HydrophobicContact CD1-CZ3 4.44Å; L87-W116 HydrophobicContact CG-CD2 4.23Å; L87-W116 HydrophobicContact CG-CE3 3.92Å; L87-W116 HydrophobicContact CG-CZ3 4.22Å; W113-W116 WeakPolarHBondContact O-CB 3.38Å; W113-W116 PolarHBondContact O-N 3.2Å; Y114-W116 VanDerWaalsContact C-N 3.27Å; Y114-W116 PolarHBondContact O-N 3.25Å; W116-L121 HydrophobicContact CE3-CD2 3.92Å; W116-L121 HydrophobicContact CZ3-CD2 4.13Å; W116-F247 WeakPolarHBondContact CH2-O 3.27Å; W116-F247 HydrophobicContact CZ3-CB 4.02Å; W116-C467 HydrophobicContact CD2-CB 4.09Å; W116-C467 HydrophobicContact CG-CB 3.98Å
117F98.1Very high97.7Very high17 Ų1737 Ų378%0.07520%0.196CC..BIsolated β-bridgetrans-69.5145.1175-75.5-103.7000110.5R119 V150 F166 P168 H173 L174F117-R119 PolarHBondContact O-N 3.27Å; F117-R119 VanDerWaalsContact O-N 3.14Å; F117-V150 CarbonylContact C-O 3.31Å; F117-V150 VanDerWaalsContact CA-O 3.25Å; F117-V150 WeakPolarHBondContact CA-O 3.39Å; F117-V150 HydrophobicContact CD1-CB 4.49Å; F117-V150 HydrophobicContact CD1-CG1 3.66Å; F117-V150 HydrophobicContact CD2-CG1 4.49Å; F117-V150 HydrophobicContact CE1-CG1 3.5Å; F117-V150 HydrophobicContact CE2-CG1 4.38Å; F117-V150 HydrophobicContact CG-CG1 4.16Å; F117-V150 HydrophobicContact CZ-CG1 3.89Å; F117-F166 HydrophobicContact CD1-CE1 4.44Å; F117-F166 HydrophobicContact CD1-CZ 4.03Å; F117-F166 AromaticContact CD2-CE1 3.86Å; F117-F166 HydrophobicContact CD2-CE1 3.86Å; F117-F166 HydrophobicContact CD2-CZ 4.13Å; F117-F166 AromaticContact CE1-CZ 3.84Å; F117-F166 HydrophobicContact CE1-CZ 3.84Å; F117-F166 AromaticContact CE2-CE1 3.93Å; F117-F166 HydrophobicContact CE2-CE1 3.93Å; F117-F166 AromaticContact CE2-CZ 3.92Å; F117-F166 HydrophobicContact CE2-CZ 3.92Å; F117-F166 HydrophobicContact CG-CE1 4.13Å; F117-F166 HydrophobicContact CG-CZ 4.18Å; F117-F166 HydrophobicContact CZ-CE1 4.28Å; F117-F166 AromaticContact CZ-CZ 3.79Å; F117-F166 HydrophobicContact CZ-CZ 3.79Å; F117-P168 HydrophobicContact CE2-CB 3.79Å; F117-P168 HydrophobicContact CE2-CG 3.78Å; F117-P168 HydrophobicContact CZ-CB 3.56Å; F117-P168 HydrophobicContact CZ-CG 4.1Å; F117-H173 WeakPolarHBondContact CE1-O 3.37Å; F117-H173 HydrophobicContact CZ-CB 4.17Å; F117-H173 WeakPolarHBondContact CZ-O 3.3Å; F117-L174 HydrophobicContact CD2-CD2 4.28Å; F117-L174 HydrophobicContact CE2-CD2 3.44Å; F117-L174 VanDerWaalsContact CE2-CD2 3.44Å; F117-L174 HydrophobicContact CZ-CD2 3.84Å
118D97.9Very high97.7Very high97 Ų9735.9 Ų35.952%0.51919%0.187SC..THydrogen-bonded Turntrans57.424.4179.1-49.5-48.8000113.9V150 P151 S152D118-V150 PolarHBondContact N-O 3.21Å; D118-P151 WeakPolarHBondContact OD1-CA 3.38Å; D118-S152 PolarHBondContact OD1-N 3.35Å; D118-S152 WeakPolarHBondContact OD2-CB 3.29Å; D118-S152 PolarHBondContact OD2-OG 2.96Å
119R97.9Very high97.6Very high81 Ų8135 Ų3531%0.30618%0.184SC..  trans-96.2139.9172.1-63.3-61-178.2175.3-3.6110.7T115 F117 L121T115-R119 WeakPolarHBondContact O-CG 3.44Å; T115-R119 PolarHBondContact O-NE 2.97Å; F117-R119 PolarHBondContact O-N 3.27Å; F117-R119 VanDerWaalsContact O-N 3.14Å; R119-L121 HydrophobicContact CB-CD2 3.85Å; R119-L121 PolarHBondContact O-N 3.28Å
120D98.2Very high97.6Very high105 Ų10540.7 Ų40.756%0.56120%0.199SC*.  trans-70120.8164.3-66.1-34.1000108.1P146 A250D120-P146 HydrophobicContact CB-CB 3.75Å; D120-A250 HydrophobicContact CB-CB 3.75Å; D120-A250 WeakPolarHBondContact O-CB 3.27Å; D120-A250 PolarHBondContact O-N 3.05Å
121L98.6Very high97.6Very high0 Ų039.8 Ų39.80%018%0.182CC..EExtended strand (participates in β ladder)trans-114.2131.4-174.1-56.3177.4000111.7W116 R119 P146 I147 A148 V150 P176 F247 A248W116-L121 HydrophobicContact CE3-CD2 3.92Å; W116-L121 HydrophobicContact CZ3-CD2 4.13Å; R119-L121 HydrophobicContact CB-CD2 3.85Å; R119-L121 PolarHBondContact O-N 3.28Å; L121-P146 CarbonylContact O-C 3.5Å; L121-P146 WeakPolarHBondContact O-CA 3.37Å; L121-I147 PolarHBondContact O-N 3.36Å; L121-A148 WeakPolarHBondContact CA-O 3.42Å; L121-A148 HydrophobicContact CB-CB 4.36Å; L121-A148 WeakPolarHBondContact CB-O 3.26Å; L121-A148 PolarHBondContact N-O 2.85Å; L121-A148 PolarHBondContact O-N 2.77Å; L121-V150 HydrophobicContact CD1-CG2 4.35Å; L121-P176 HydrophobicContact CD1-CB 4.33Å; L121-P176 HydrophobicContact CD1-CG 4.29Å; L121-F247 HydrophobicContact CB-CB 4.43Å; L121-F247 HydrophobicContact CB-CD1 3.74Å; L121-F247 HydrophobicContact CB-CE1 4.46Å; L121-F247 HydrophobicContact CB-CG 4.43Å; L121-F247 HydrophobicContact CD1-CB 4.31Å; L121-F247 HydrophobicContact CD1-CD1 4.21Å; L121-F247 HydrophobicContact CD1-CG 4.29Å; L121-A248 WeakPolarHBondContact CA-O 3.42Å
122K98.1Very high97.3Very high31 Ų3143.9 Ų43.914%0.13521%0.214CC..EExtended strand (participates in β ladder)trans-90.7162.9166.7-68.8171.6-173.5174.70109.9I143 N144 F247 A248 A250K122-I143 WeakPolarHBondContact CB-O 3.29Å; K122-N144 WeakPolarHBondContact CE-O 3.29Å; K122-F247 VanDerWaalsContact O-CA 3.28Å; K122-F247 WeakPolarHBondContact O-CA 3.17Å; K122-F247 WeakPolarHBondContact O-CD1 3.19Å; K122-A248 PolarHBondContact N-O 3.25Å; K122-A248 PolarHBondContact O-N 3.04Å; K122-A250 HydrophobicContact CD-CB 4.18Å; K122-A250 VanDerWaalsContact CE-CA 3.44Å; K122-A250 WeakPolarHBondContact CE-O 3.46Å; K122-A250 HydrophobicContact CG-CB 3.83Å; K122-A250 PolarHBondContact NZ-O 3.24Å; K122-A250 VanDerWaalsContact NZ-O 3.13Å
123L98.4Very high97.2Very high1 Ų147.9 Ų47.91%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-123.4129.8175.7-171.169.1000109.5I143 I147 L225 L245 F247L123-I143 HydrophobicContact CB-CD1 4.21Å; L123-I143 HydrophobicContact CD2-CD1 4.24Å; L123-I143 WeakPolarHBondContact O-CB 3.38Å; L123-I143 PolarHBondContact O-N 3.46Å; L123-I147 HydrophobicContact CB-CD1 3.88Å; L123-I147 HydrophobicContact CB-CG1 4.48Å; L123-I147 HydrophobicContact CD2-CD1 4.21Å; L123-L225 HydrophobicContact CD2-CD1 3.68Å; L123-L245 HydrophobicContact CD1-CB 3.92Å; L123-L245 HydrophobicContact CD2-CD1 3.87Å; L123-L245 HydrophobicContact CG-CB 4.17Å; L123-L245 HydrophobicContact CG-CD1 4.24Å; L123-F247 HydrophobicContact CB-CE1 4.45Å; L123-F247 HydrophobicContact CD1-CD1 4.04Å; L123-F247 HydrophobicContact CD1-CD2 4.31Å; L123-F247 HydrophobicContact CD1-CE1 3.94Å; L123-F247 HydrophobicContact CD1-CE2 4.2Å; L123-F247 HydrophobicContact CD1-CG 4.25Å; L123-F247 HydrophobicContact CD1-CZ 4.05Å
124A98.6Very high97Very high0 Ų047.8 Ų47.80%025%0.245CC..EExtended strand (participates in β ladder)trans-146.5161-179.100000111.4P16 T17 V141 L245 C246P16-A124 HydrophobicContact CB-CB 3.76Å; P16-A124 HydrophobicContact CG-CB 3.41Å; P16-A124 VanDerWaalsContact CG-CB 3.41Å; T17-A124 HydrophobicContact CG2-CB 3.76Å; A124-V141 CarbonylContact C-O 3.58Å; A124-V141 VanDerWaalsContact CA-O 3.27Å; A124-V141 WeakPolarHBondContact CA-O 3.44Å; A124-L245 CarbonylContact O-C 3.53Å; A124-L245 WeakPolarHBondContact O-CA 3.28Å; A124-C246 PolarHBondContact N-O 2.85Å; A124-C246 PolarHBondContact O-N 3.36Å
125G98.5Very high97Very high1 Ų150.4 Ų50.41%0.0125%0.254CS..EExtended strand (participates in β ladder)trans153.9-138.417600000111.5H20 L140 V141 E244H20-G125 PolarHBondContact CE1-O 3.44Å; G125-L140 WeakPolarHBondContact O-CA 3.35Å; G125-V141 PolarHBondContact N-O 3.02Å; G125-V141 PolarHBondContact O-N 2.92Å; G125-E244 WeakPolarHBondContact CA-O 3.31Å
126R97.9Very high97Very high21 Ų2155 Ų558%0.07928%0.277CS..EExtended strand (participates in β ladder)trans-129.3151.4175.466.7179.8179.4-171.9-3.1112.3F19 N56 R139 L140 E244F19-R126 HydrophobicContact CD2-CB 4.36Å; F19-R126 HydrophobicContact CD2-CG 4.12Å; F19-R126 VanDerWaalsContact CE1-CZ 3.49Å; F19-R126 HydrophobicContact CE2-CG 3.9Å; F19-R126 HydrophobicContact CZ-CG 4.2Å; N56-R126 PolarHBondContact O-NH1 3.19Å; N56-R126 PolarHBondContact OD1-NH1 2.7Å; N56-R126 PolarHBondContact OD1-NH2 2.92Å; R126-R139 CarbonylContact C-O 3.53Å; R126-R139 VanDerWaalsContact CA-O 3.26Å; R126-R139 WeakPolarHBondContact CA-O 3.42Å; R126-L140 HydrophobicContact CB-CD2 4.06Å; R126-E244 HydrophobicContact CG-CB 3.92Å; R126-E244 IonicContact CZ-OE2 3.11Å; R126-E244 PolarHBondContact N-O 3.34Å; R126-E244 IonicContact NE-OE2 3.5Å; R126-E244 PolarHBondContact NE-OE2 3.31Å; R126-E244 IonicContact NH2-OE2 3.21Å; R126-E244 PolarHBondContact NH2-OE2 3.02Å; R126-E244 PolarHBondContact O-N 3.44Å
127V97.9Very high96.9Very high0 Ų057.7 Ų57.70%029%0.29CS..EExtended strand (participates in β ladder)trans-114.6130.2171.9-177.10000107.6I129 R139 V141 L229 T233 I240 L243V127-I129 HydrophobicContact CG1-CG2 3.75Å; V127-R139 PolarHBondContact N-O 3.48Å; V127-R139 PolarHBondContact O-N 2.9Å; V127-V141 HydrophobicContact CG2-CB 4.42Å; V127-V141 HydrophobicContact CG2-CG1 3.65Å; V127-V141 HydrophobicContact CG2-CG2 3.85Å; V127-L229 HydrophobicContact CG2-CD2 4.2Å; V127-T233 HydrophobicContact CB-CG2 4.49Å; V127-T233 HydrophobicContact CG2-CG2 4.32Å; V127-I240 HydrophobicContact CG1-CB 4.39Å; V127-I240 HydrophobicContact CG1-CG1 4.06Å; V127-I240 HydrophobicContact CG1-CG2 3.83Å; V127-L243 HydrophobicContact CB-CD2 4.39Å; V127-L243 HydrophobicContact CG1-CD2 3.93Å; V127-L243 HydrophobicContact CG2-CD2 3.97Å
128I97.6Very high96.8Very high29 Ų2961.3 Ų61.315%0.14931%0.308CS..EExtended strand (participates in β ladder)trans-92.2119.9171.3-49.2-58000107.3L136 Q138 V241 E242I128-L136 HydrophobicContact CG2-CB 4.36Å; I128-L136 HydrophobicContact CG2-CD2 4.3Å; I128-Q138 HydrophobicContact CD1-CB 4.27Å; I128-Q138 HydrophobicContact CD1-CG 3.74Å; I128-V241 WeakPolarHBondContact O-CA 3.49Å; I128-V241 WeakPolarHBondContact O-CB 3.2Å; I128-V241 PolarHBondContact O-N 3.43Å; I128-E242 HydrophobicContact CB-CB 4.13Å; I128-E242 HydrophobicContact CG1-CB 4.18Å; I128-E242 PolarHBondContact N-O 2.88Å; I128-E242 PolarHBondContact O-N 3.33Å
129I96.9Very high96.8Very high0 Ų060.3 Ų60.30%030%0.297CS..EExtended strand (participates in β ladder)trans-115.7157.7-178.465.3164.8000111.3V127 L136 E137 R139 V235 Q239V127-I129 HydrophobicContact CG1-CG2 3.75Å; I129-L136 WeakPolarHBondContact O-CA 3.38Å; I129-E137 HydrophobicContact CD1-CB 4.27Å; I129-E137 HydrophobicContact CD1-CG 4.43Å; I129-E137 HydrophobicContact CG1-CB 3.85Å; I129-E137 HydrophobicContact CG1-CG 4.4Å; I129-E137 WeakPolarHBondContact CG1-O 3.47Å; I129-E137 PolarHBondContact N-O 2.94Å; I129-E137 PolarHBondContact O-N 2.82Å; I129-R139 HydrophobicContact CD1-CG 4.09Å; I129-R139 VanDerWaalsContact CD1-CZ 3.43Å; I129-R139 HydrophobicContact CG1-CG 4.5Å; I129-V235 HydrophobicContact CD1-CG1 3.74Å; I129-V235 HydrophobicContact CG2-CG2 3.83Å; I129-Q239 CarbonylContact C-O 3.56Å; I129-Q239 WeakPolarHBondContact CA-O 3.42Å
130R97.3Very high96.8Very high143 Ų14359.6 Ų59.654%0.5430%0.299SS..EExtended strand (participates in β ladder)trans-95.7116.2164.3-169.5-178.4-56.2-143.61.1109.3R135 Q239 V241R130-R135 WeakPolarHBondContact CA-O 3.16Å; R130-Q239 PolarHBondContact N-O 2.83Å; R130-Q239 PolarHBondContact O-NE2 3.34Å; R130-V241 HydrophobicContact CB-CG2 3.97Å
131N94.2Very high96.8Very high31 Ų3154.7 Ų54.717%0.16627%0.272CS..  trans-75177.117780.8-2.7000111.7E133 G134 R135N131-E133 PolarHBondContact ND2-OE2 3.19Å; N131-E133 PolarHBondContact O-N 3.44Å; N131-E133 WeakPolarHBondContact OD1-CA 3.49Å; N131-E133 PolarHBondContact OD1-N 3.3Å; N131-E133 PolarHBondContact OD1-OE2 3.26Å; N131-G134 PolarHBondContact O-N 3.36Å; N131-G134 PolarHBondContact OD1-N 3.21Å; N131-G134 VanDerWaalsContact OD1-N 3.11Å; N131-R135 PolarHBondContact N-O 2.81Å; N131-R135 PolarHBondContact OD1-N 3.21Å; N131-R135 PolarHBondContact OD1-O 2.95Å
132A91.7Very high96.7Very high96 Ų9656.1 Ų56.179%0.79328%0.279SS*.THydrogen-bonded Turntrans-62.4-28.9-177.600000113.2G134A132-G134 PolarHBondContact O-N 3.36Å
133E94.5Very high96.7Very high141 Ų14154.9 Ų54.966%0.65927%0.274SS*.THydrogen-bonded Turntrans-82.62.4176.5-57.374.3-151.100113.3N131 R135N131-E133 PolarHBondContact ND2-OE2 3.19Å; N131-E133 PolarHBondContact O-N 3.44Å; N131-E133 WeakPolarHBondContact OD1-CA 3.49Å; N131-E133 PolarHBondContact OD1-N 3.3Å; N131-E133 PolarHBondContact OD1-OE2 3.26Å; E133-R135 VanDerWaalsContact C-N 3.29Å; E133-R135 HydrophobicContact CB-CG 4.48Å; E133-R135 PolarHBondContact O-N 2.68Å
134G93.5Very high96.5Very high45 Ų4559 Ų5946%0.46430%0.296SS..SBendtrans78.28.4-178.600000114.6N131 A132N131-G134 PolarHBondContact O-N 3.36Å; N131-G134 PolarHBondContact OD1-N 3.21Å; N131-G134 VanDerWaalsContact OD1-N 3.11Å; A132-G134 PolarHBondContact O-N 3.36Å
135R96.4Very high96.4Very high186 Ų18664.8 Ų64.870%0.70233%0.327SS*.  trans-84.2154175.6-60.8-176.5177.9-174.8-0.6110.8R130 N131 E133R130-R135 WeakPolarHBondContact CA-O 3.16Å; N131-R135 PolarHBondContact N-O 2.81Å; N131-R135 PolarHBondContact OD1-N 3.21Å; N131-R135 PolarHBondContact OD1-O 2.95Å; E133-R135 VanDerWaalsContact C-N 3.29Å; E133-R135 HydrophobicContact CB-CG 4.48Å; E133-R135 PolarHBondContact O-N 2.68Å
136L97.2Very high96.3Very high118 Ų11868.2 Ų68.262%0.61835%0.349SS*.EExtended strand (participates in β ladder)trans-82133.5172.6-61.1179.8000109.8I128 I129 V241I128-L136 HydrophobicContact CG2-CB 4.36Å; I128-L136 HydrophobicContact CG2-CD2 4.3Å; I129-L136 WeakPolarHBondContact O-CA 3.38Å; L136-V241 HydrophobicContact CD2-CG1 4.43Å; L136-V241 HydrophobicContact CD2-CG2 4.11Å
137E96Very high96.3Very high68 Ų6868.8 Ų68.832%0.31835%0.353SS..EExtended strand (participates in β ladder)trans-131.2144.6177.3178.7-169.5138.100108.6I129 R139I129-E137 HydrophobicContact CD1-CB 4.27Å; I129-E137 HydrophobicContact CD1-CG 4.43Å; I129-E137 HydrophobicContact CG1-CB 3.85Å; I129-E137 HydrophobicContact CG1-CG 4.4Å; I129-E137 WeakPolarHBondContact CG1-O 3.47Å; I129-E137 PolarHBondContact N-O 2.94Å; I129-E137 PolarHBondContact O-N 2.82Å; E137-R139 IonicContact OE1-CZ 3.68Å; E137-R139 IonicContact OE1-NE 3.73Å; E137-R139 PolarHBondContact OE1-NE 3.44Å; E137-R139 IonicContact OE1-NH2 3.97Å; E137-R139 PolarHBondContact OE1-NH2 2.98Å; E137-R139 IonicContact OE2-NH2 3.88Å
138Q96Very high96.4Very high93 Ų9369.1 Ų69.144%0.43536%0.356SS..EExtended strand (participates in β ladder)trans-99.9134.1176.5-48.9-167.6-46.300109.2I128I128-Q138 HydrophobicContact CD1-CB 4.27Å; I128-Q138 HydrophobicContact CD1-CG 3.74Å
139R97Very high96.4Very high77 Ų7769.5 Ų69.529%0.29136%0.361SS..EExtended strand (participates in β ladder)trans-125.8132.9171.4-66.1-166.4179.617510.7110.6R126 V127 I129 E137 T233R126-R139 CarbonylContact C-O 3.53Å; R126-R139 VanDerWaalsContact CA-O 3.26Å; R126-R139 WeakPolarHBondContact CA-O 3.42Å; V127-R139 PolarHBondContact N-O 3.48Å; V127-R139 PolarHBondContact O-N 2.9Å; I129-R139 HydrophobicContact CD1-CG 4.09Å; I129-R139 VanDerWaalsContact CD1-CZ 3.43Å; I129-R139 HydrophobicContact CG1-CG 4.5Å; E137-R139 IonicContact OE1-CZ 3.68Å; E137-R139 IonicContact OE1-NE 3.73Å; E137-R139 PolarHBondContact OE1-NE 3.44Å; E137-R139 IonicContact OE1-NH2 3.97Å; E137-R139 PolarHBondContact OE1-NH2 2.98Å; E137-R139 IonicContact OE2-NH2 3.88Å; R139-T233 HydrophobicContact CB-CG2 4.37Å; R139-T233 PolarHBondContact NH1-O 3.49Å
140L98Very high96.5Very high66 Ų6669.6 Ų69.635%0.34636%0.361SS..EExtended strand (participates in β ladder)trans-74.6143.6171.5-59.9-173.2000110.1F19 Q23 G125 R126F19-L140 HydrophobicContact CB-CD2 3.51Å; F19-L140 HydrophobicContact CG-CD2 4.34Å; Q23-L140 HydrophobicContact CB-CD1 3.77Å; Q23-L140 HydrophobicContact CG-CD1 4.07Å; G125-L140 WeakPolarHBondContact O-CA 3.35Å; R126-L140 HydrophobicContact CB-CD2 4.06Å
141V98.1Very high96.5Very high2 Ų265.8 Ų65.81%0.01236%0.355CS..EExtended strand (participates in β ladder)trans-131.2137.7173.6-68.30000109.6H20 A124 G125 V127 L229 E232 T233 L245H20-V141 PolarHBondContact CE1-O 3.14Å; H20-V141 VanDerWaalsContact CE1-O 3.24Å; H20-V141 PolarHBondContact NE2-O 3.38Å; A124-V141 CarbonylContact C-O 3.58Å; A124-V141 VanDerWaalsContact CA-O 3.27Å; A124-V141 WeakPolarHBondContact CA-O 3.44Å; G125-V141 PolarHBondContact N-O 3.02Å; G125-V141 PolarHBondContact O-N 2.92Å; V127-V141 HydrophobicContact CG2-CB 4.42Å; V127-V141 HydrophobicContact CG2-CG1 3.65Å; V127-V141 HydrophobicContact CG2-CG2 3.85Å; V141-L229 HydrophobicContact CB-CD2 4.34Å; V141-L229 HydrophobicContact CG1-CD2 4.3Å; V141-L229 HydrophobicContact CG2-CD2 4.04Å; V141-E232 HydrophobicContact CB-CG 4.28Å; V141-E232 HydrophobicContact CG1-CG 4.19Å; V141-T233 HydrophobicContact CG1-CG2 3.24Å; V141-L245 HydrophobicContact CG2-CD2 3.39Å
142H97.4Very high96.6Very high30 Ų3066.7 Ų66.714%0.13936%0.364CS..EExtended strand (participates in β ladder)trans-14090176.3-173.6-178.6000109.7N144H142-N144 PolarHBondContact CE1-OD1 2.97Å; H142-N144 PolarHBondContact NE2-OD1 3.44Å; H142-N144 VanDerWaalsContact NE2-OD1 3.17Å; H142-N144 PolarHBondContact O-N 3.33Å; H142-N144 PolarHBondContact O-ND2 3.29Å
143I97.8Very high96.8Very high4 Ų466.8 Ų66.82%0.02135%0.351CS..EExtended strand (participates in β ladder)trans-74.197.3176.1-59.2162.3000107.7K122 L123 N145 I147 L228 L229K122-I143 WeakPolarHBondContact CB-O 3.29Å; L123-I143 HydrophobicContact CB-CD1 4.21Å; L123-I143 HydrophobicContact CD2-CD1 4.24Å; L123-I143 WeakPolarHBondContact O-CB 3.38Å; L123-I143 PolarHBondContact O-N 3.46Å; I143-N145 VanDerWaalsContact C-N 3.28Å; I143-N145 PolarHBondContact O-N 2.81Å; I143-I147 HydrophobicContact CD1-CD1 4.17Å; I143-I147 HydrophobicContact CG2-CD1 4.21Å; I143-I147 HydrophobicContact CG2-CG2 3.85Å; I143-L228 HydrophobicContact CD1-CD2 3.65Å; I143-L228 HydrophobicContact CD1-CG 3.93Å; I143-L228 HydrophobicContact CG1-CD2 4.33Å; I143-L228 HydrophobicContact CG1-CG 4.4Å; I143-L228 HydrophobicContact CG2-CD2 4.16Å; I143-L229 HydrophobicContact CD1-CD2 4.07Å
144N94.4Very high96.8Very high89 Ų8962.6 Ų62.648%0.47634%0.34SS..EExtended strand (participates in β ladder)trans-73.6-17.7-176.4-79.1-68.2000113.6K122 H142K122-N144 WeakPolarHBondContact CE-O 3.29Å; H142-N144 PolarHBondContact CE1-OD1 2.97Å; H142-N144 PolarHBondContact NE2-OD1 3.44Å; H142-N144 VanDerWaalsContact NE2-OD1 3.17Å; H142-N144 PolarHBondContact O-N 3.33Å; H142-N144 PolarHBondContact O-ND2 3.29Å
145N96.2Very high96.9Very high120 Ų12063.9 Ų63.964%0.64234%0.335SS*.EExtended strand (participates in β ladder)trans-75.3138.9174.3-67.9-30.7000109.7I143 I147I143-N145 VanDerWaalsContact C-N 3.28Å; I143-N145 PolarHBondContact O-N 2.81Å; N145-I147 HydrophobicContact CB-CG2 4.33Å; N145-I147 WeakPolarHBondContact O-CG2 3.17Å; N145-I147 PolarHBondContact O-N 3.25Å; N145-I147 VanDerWaalsContact O-N 3.09Å
146P97.5Very high96.9Very high73 Ų7362.3 Ų62.347%0.47434%0.335SS..EExtended strand (participates in β ladder)trans-69.8106.817129-32.2000109D120 L121 A250D120-P146 HydrophobicContact CB-CB 3.75Å; L121-P146 CarbonylContact O-C 3.5Å; L121-P146 WeakPolarHBondContact O-CA 3.37Å; P146-A250 HydrophobicContact CB-CB 3.87Å
147I97.8Very high96.8Very high33 Ų3363.1 Ų63.117%0.16934%0.34CS..EExtended strand (participates in β ladder)trans-105.1-9.2-175.663170.7000112.8L121 L123 I143 N145 L178 L228L121-I147 PolarHBondContact O-N 3.36Å; L123-I147 HydrophobicContact CB-CD1 3.88Å; L123-I147 HydrophobicContact CB-CG1 4.48Å; L123-I147 HydrophobicContact CD2-CD1 4.21Å; I143-I147 HydrophobicContact CD1-CD1 4.17Å; I143-I147 HydrophobicContact CG2-CD1 4.21Å; I143-I147 HydrophobicContact CG2-CG2 3.85Å; N145-I147 HydrophobicContact CB-CG2 4.33Å; N145-I147 WeakPolarHBondContact O-CG2 3.17Å; N145-I147 PolarHBondContact O-N 3.25Å; N145-I147 VanDerWaalsContact O-N 3.09Å; I147-L178 HydrophobicContact CB-CD1 4.06Å; I147-L178 HydrophobicContact CD1-CD1 3.85Å; I147-L178 HydrophobicContact CG1-CD1 4.08Å; I147-L228 HydrophobicContact CD1-CD2 4.12Å; I147-L228 HydrophobicContact CG2-CD2 4.41Å
148A98.3Very high96.6Very high8 Ų862.1 Ų62.17%0.06634%0.337CS..EExtended strand (participates in β ladder)trans-144.1159.8-176.700000114.1L121 P176 I177 F247L121-A148 WeakPolarHBondContact CA-O 3.42Å; L121-A148 HydrophobicContact CB-CB 4.36Å; L121-A148 WeakPolarHBondContact CB-O 3.26Å; L121-A148 PolarHBondContact N-O 2.85Å; L121-A148 PolarHBondContact O-N 2.77Å; A148-P176 HydrophobicContact CB-CB 3.76Å; A148-I177 WeakPolarHBondContact CA-O 3.36Å; A148-I177 WeakPolarHBondContact CB-O 3.31Å; A148-F247 HydrophobicContact CB-CD1 4.31Å; A148-F247 HydrophobicContact CB-CE1 3.5Å; A148-F247 VanDerWaalsContact CB-CE1 3.5Å; A148-F247 HydrophobicContact CB-CZ 4.11Å
149C98.2Very high96.4Very high37 Ų3763.7 Ų63.725%0.2534%0.344CS..BIsolated β-bridgetrans-151.5145.7174.1175.40000110P151 P176 I177C149-P151 WeakPolarHBondContact O-CD 3.43Å; C149-P176 WeakPolarHBondContact O-CA 3.29Å; C149-I177 PolarHBondContact N-O 3.2Å; C149-I177 PolarHBondContact O-N 3.17Å
150V98.4Very high96.3Very high2 Ų265.7 Ų65.71%0.01236%0.357CS..BIsolated β-bridgetrans-101.3101.5167.6-176.80000107.9L87 F117 D118 L121 H173 L174 P176L87-V150 HydrophobicContact CD1-CG2 4.46Å; F117-V150 CarbonylContact C-O 3.31Å; F117-V150 VanDerWaalsContact CA-O 3.25Å; F117-V150 WeakPolarHBondContact CA-O 3.39Å; F117-V150 HydrophobicContact CD1-CB 4.49Å; F117-V150 HydrophobicContact CD1-CG1 3.66Å; F117-V150 HydrophobicContact CD2-CG1 4.49Å; F117-V150 HydrophobicContact CE1-CG1 3.5Å; F117-V150 HydrophobicContact CE2-CG1 4.38Å; F117-V150 HydrophobicContact CG-CG1 4.16Å; F117-V150 HydrophobicContact CZ-CG1 3.89Å; D118-V150 PolarHBondContact N-O 3.21Å; L121-V150 HydrophobicContact CD1-CG2 4.35Å; V150-H173 WeakPolarHBondContact CG1-O 3.49Å; V150-L174 WeakPolarHBondContact CG2-O 3.31Å; V150-P176 HydrophobicContact CG2-CB 3.9Å; V150-P176 HydrophobicContact CG2-CG 3.68Å
151P97.2Very high96Very high62 Ų6264.8 Ų64.840%0.40335%0.352SS..PPolyproline II helixtrans-77.8141-175.631.1-35.5000112.3D118 C149 I177D118-P151 WeakPolarHBondContact OD1-CA 3.38Å; C149-P151 WeakPolarHBondContact O-CD 3.43Å; P151-I177 HydrophobicContact CG-CD1 3.74Å
152S96.5Very high95.7Very high50 Ų5072.1 Ų72.135%0.3538%0.383SS..PPolyproline II helixtrans-68.3142.6167.3-67.90000111.4D118 A154D118-S152 PolarHBondContact OD1-N 3.35Å; D118-S152 WeakPolarHBondContact OD2-CB 3.29Å; D118-S152 PolarHBondContact OD2-OG 2.96Å; S152-A154 PolarHBondContact O-N 3.43Å
153L96Very high95.6Very high99 Ų9976.6 Ų76.652%0.51841%0.413SS..PPolyproline II helixtrans-69.8130.5168.7-175.860.7000109.4I155 L157 N158L153-I155 PolarHBondContact O-N 2.96Å; L153-L157 HydrophobicContact CD1-CB 4.07Å; L153-L157 HydrophobicContact CD1-CD1 3.82Å; L153-L157 HydrophobicContact CD2-CB 4.21Å; L153-L157 HydrophobicContact CG-CB 4.05Å; L153-N158 HydrophobicContact CD2-CB 3.94Å; L153-N158 HydrophobicContact CG-CB 4.28Å
154A95.8Very high95.4Very high52 Ų5282 Ų8243%0.4344%0.438SS..PPolyproline II helixtrans-54.1135-179.900000111.5S152 H156 L157 N158S152-A154 PolarHBondContact O-N 3.43Å; A154-H156 PolarHBondContact O-N 2.95Å; A154-L157 PolarHBondContact O-N 3.4Å; A154-N158 PolarHBondContact O-N 3.3Å
155I94.5Very high95.3Very high72 Ų7279.5 Ų79.537%0.36943%0.433SS..THydrogen-bonded Turntrans-54.8-27.2-176.5-169.862.2000113.7L153 L157 N158 Q159 I161 K162L153-I155 PolarHBondContact O-N 2.96Å; I155-L157 PolarHBondContact O-N 2.89Å; I155-N158 WeakPolarHBondContact CD1-O 3.06Å; I155-N158 CarbonylContact O-C 3.57Å; I155-N158 VanDerWaalsContact O-C 3.31Å; I155-N158 PolarHBondContact O-N 3.23Å; I155-Q159 VanDerWaalsContact O-CG 3.29Å; I155-Q159 WeakPolarHBondContact O-CG 3.39Å; I155-Q159 PolarHBondContact O-N 3.14Å; I155-I161 HydrophobicContact CD1-CB 4.35Å; I155-K162 HydrophobicContact CD1-CG 4.3Å
156H95.7Very high95.2Very high153 Ų15376.9 Ų76.971%0.70842%0.416SS*.THydrogen-bonded Turntrans-62.6-30.6175.8-54.2101.2000113A154A154-H156 PolarHBondContact O-N 2.95Å
157L96Very high95Very high136 Ų13680.9 Ų80.971%0.71243%0.428SS*.THydrogen-bonded Turntrans-96.7-10.7178.9-59.1176.8000112.5L153 A154 I155L153-L157 HydrophobicContact CD1-CB 4.07Å; L153-L157 HydrophobicContact CD1-CD1 3.82Å; L153-L157 HydrophobicContact CD2-CB 4.21Å; L153-L157 HydrophobicContact CG-CB 4.05Å; A154-L157 PolarHBondContact O-N 3.4Å; I155-L157 PolarHBondContact O-N 2.89Å
158N92.3Very high94.8Very high47 Ų4780.7 Ų80.725%0.25143%0.429SS..  trans-137.858.4-179.6-163.7-4.9000111.8L153 A154 I155 E160 I161L153-N158 HydrophobicContact CD2-CB 3.94Å; L153-N158 HydrophobicContact CG-CB 4.28Å; A154-N158 PolarHBondContact O-N 3.3Å; I155-N158 WeakPolarHBondContact CD1-O 3.06Å; I155-N158 CarbonylContact O-C 3.57Å; I155-N158 VanDerWaalsContact O-C 3.31Å; I155-N158 PolarHBondContact O-N 3.23Å; N158-E160 PolarHBondContact O-N 3.02Å; N158-I161 HydrophobicContact CB-CD1 4.02Å; N158-I161 HydrophobicContact CB-CG1 4.43Å; N158-I161 VanDerWaalsContact ND2-CD1 3.28Å; N158-I161 WeakPolarHBondContact ND2-CD1 3.37Å; N158-I161 PolarHBondContact O-N 2.89Å
159Q92.3Very high94.7Very high126 Ų12683.8 Ų83.859%0.58944%0.444SS*.THydrogen-bonded Turntrans-65.8-24.1-176.7-64.6-172.5-2.300112.9I155 I161 K162I155-Q159 VanDerWaalsContact O-CG 3.29Å; I155-Q159 WeakPolarHBondContact O-CG 3.39Å; I155-Q159 PolarHBondContact O-N 3.14Å; Q159-I161 PolarHBondContact O-N 3.38Å; Q159-K162 WeakPolarHBondContact O-CB 3.41Å; Q159-K162 PolarHBondContact O-N 2.94Å; Q159-K162 VanDerWaalsContact O-N 3.14Å
160E93Very high94.5Very high119 Ų11984.8 Ų84.856%0.55645%0.452SS*.THydrogen-bonded Turntrans-60.5-24.5-179-62.4-176.8-162.200113.1N158 K162 T163 Q164N158-E160 PolarHBondContact O-N 3.02Å; E160-K162 PolarHBondContact O-N 2.98Å; E160-K162 VanDerWaalsContact O-N 3.07Å; E160-T163 PolarHBondContact O-N 3.17Å; E160-T163 PolarHBondContact O-OG1 2.89Å; E160-T163 VanDerWaalsContact O-OG1 3.13Å; E160-Q164 WeakPolarHBondContact O-CB 3.47Å; E160-Q164 PolarHBondContact O-N 3.17Å; E160-Q164 PolarHBondContact OE2-NE2 3.15Å
161I92.9Very high94.4Very high46 Ų4689.2 Ų89.224%0.23647%0.472CS..Hα-helixtrans-52.4-33174.3-70.1172.6000111.9I155 N158 Q159 T163 G165 F166I155-I161 HydrophobicContact CD1-CB 4.35Å; N158-I161 HydrophobicContact CB-CD1 4.02Å; N158-I161 HydrophobicContact CB-CG1 4.43Å; N158-I161 VanDerWaalsContact ND2-CD1 3.28Å; N158-I161 WeakPolarHBondContact ND2-CD1 3.37Å; N158-I161 PolarHBondContact O-N 2.89Å; Q159-I161 PolarHBondContact O-N 3.38Å; I161-T163 VanDerWaalsContact C-N 3.26Å; I161-T163 PolarHBondContact O-N 3.17Å; I161-G165 VanDerWaalsContact O-CA 3.27Å; I161-G165 WeakPolarHBondContact O-CA 3.39Å; I161-G165 PolarHBondContact O-N 3.02Å; I161-F166 HydrophobicContact CD1-CB 4.49Å; I161-F166 HydrophobicContact CD1-CD2 3.6Å; I161-F166 HydrophobicContact CD1-CE2 4.24Å; I161-F166 HydrophobicContact CD1-CG 4.37Å; I161-F166 HydrophobicContact CG1-CB 4.46Å; I161-F166 HydrophobicContact CG1-CD2 4.11Å; I161-F166 HydrophobicContact CG2-CB 4.05Å
162K91.9Very high94.3Very high157 Ų15792.6 Ų92.668%0.68348%0.483SS*.Hα-helixtrans-64.3-30.8-178.8-64.9-179.4-178.1177.60113.1I155 Q159 E160I155-K162 HydrophobicContact CD1-CG 4.3Å; Q159-K162 WeakPolarHBondContact O-CB 3.41Å; Q159-K162 PolarHBondContact O-N 2.94Å; Q159-K162 VanDerWaalsContact O-N 3.14Å; E160-K162 PolarHBondContact O-N 2.98Å; E160-K162 VanDerWaalsContact O-N 3.07Å
163T95.1Very high94.3Very high123 Ų12394.7 Ų94.776%0.75549%0.487SS*.Hα-helixtrans-107.4-33.1-17650.30000112.5E160 I161E160-T163 PolarHBondContact O-N 3.17Å; E160-T163 PolarHBondContact O-OG1 2.89Å; E160-T163 VanDerWaalsContact O-OG1 3.13Å; I161-T163 VanDerWaalsContact C-N 3.26Å; I161-T163 PolarHBondContact O-N 3.17Å
164Q94.1Very high94.3Very high119 Ų11990 Ų9056%0.55646%0.463SS*.Hα-helixtrans-102.1-12-174.8-58.3-176.515.800113.1E160 H167E160-Q164 WeakPolarHBondContact O-CB 3.47Å; E160-Q164 PolarHBondContact O-N 3.17Å; E160-Q164 PolarHBondContact OE2-NE2 3.15Å; Q164-H167 PolarHBondContact O-CD2 3.12Å; Q164-H167 PolarHBondContact O-NE2 3.07Å
165G92.2Very high94.4Very high35 Ų3588.2 Ų88.236%0.36145%0.446SS..  trans81.4171-170.800000112.7I161I161-G165 VanDerWaalsContact O-CA 3.27Å; I161-G165 WeakPolarHBondContact O-CA 3.39Å; I161-G165 PolarHBondContact O-N 3.02Å
166F93.8Very high94.6Very high66 Ų6684.8 Ų84.829%0.28943%0.429SS..  trans-93.1108.2178.3-178-130.5000110.5F117 I161 P168F117-F166 HydrophobicContact CD1-CE1 4.44Å; F117-F166 HydrophobicContact CD1-CZ 4.03Å; F117-F166 AromaticContact CD2-CE1 3.86Å; F117-F166 HydrophobicContact CD2-CE1 3.86Å; F117-F166 HydrophobicContact CD2-CZ 4.13Å; F117-F166 AromaticContact CE1-CZ 3.84Å; F117-F166 HydrophobicContact CE1-CZ 3.84Å; F117-F166 AromaticContact CE2-CE1 3.93Å; F117-F166 HydrophobicContact CE2-CE1 3.93Å; F117-F166 AromaticContact CE2-CZ 3.92Å; F117-F166 HydrophobicContact CE2-CZ 3.92Å; F117-F166 HydrophobicContact CG-CE1 4.13Å; F117-F166 HydrophobicContact CG-CZ 4.18Å; F117-F166 HydrophobicContact CZ-CE1 4.28Å; F117-F166 AromaticContact CZ-CZ 3.79Å; F117-F166 HydrophobicContact CZ-CZ 3.79Å; I161-F166 HydrophobicContact CD1-CB 4.49Å; I161-F166 HydrophobicContact CD1-CD2 3.6Å; I161-F166 HydrophobicContact CD1-CE2 4.24Å; I161-F166 HydrophobicContact CD1-CG 4.37Å; I161-F166 HydrophobicContact CG1-CB 4.46Å; I161-F166 HydrophobicContact CG1-CD2 4.11Å; I161-F166 HydrophobicContact CG2-CB 4.05Å; F166-P168 VanDerWaalsContact C-CD 3.49Å; F166-P168 HydrophobicContact CD1-CG 4.23Å; F166-P168 HydrophobicContact CE1-CB 4.23Å; F166-P168 HydrophobicContact CE1-CG 3.76Å; F166-P168 HydrophobicContact CE2-CB 4.12Å; F166-P168 HydrophobicContact CE2-CG 4.36Å; F166-P168 HydrophobicContact CZ-CB 3.77Å; F166-P168 HydrophobicContact CZ-CG 3.84Å; F166-P168 WeakPolarHBondContact O-CD 3.38Å
167H92.3Very high94.7Very high156 Ų15679.4 Ų79.472%0.72241%0.405SS*.  trans-119.574.1-178.8-65.4-72.7000110.8Q164Q164-H167 PolarHBondContact O-CD2 3.12Å; Q164-H167 PolarHBondContact O-NE2 3.07Å
168P93.9Very high94.8Very high30 Ų3074.5 Ų74.520%0.19538%0.379CS..  trans-66.5135.117927.4-33.5000111.3F117 F166 S170 H173F117-P168 HydrophobicContact CE2-CB 3.79Å; F117-P168 HydrophobicContact CE2-CG 3.78Å; F117-P168 HydrophobicContact CZ-CB 3.56Å; F117-P168 HydrophobicContact CZ-CG 4.1Å; F166-P168 VanDerWaalsContact C-CD 3.49Å; F166-P168 HydrophobicContact CD1-CG 4.23Å; F166-P168 HydrophobicContact CE1-CB 4.23Å; F166-P168 HydrophobicContact CE1-CG 3.76Å; F166-P168 HydrophobicContact CE2-CB 4.12Å; F166-P168 HydrophobicContact CE2-CG 4.36Å; F166-P168 HydrophobicContact CZ-CB 3.77Å; F166-P168 HydrophobicContact CZ-CG 3.84Å; F166-P168 WeakPolarHBondContact O-CD 3.38Å; P168-S170 PolarHBondContact O-N 3.46Å; P168-H173 HydrophobicContact CB-CB 4.14Å
169N95.7Very high95Very high72 Ų7273.7 Ų73.739%0.38538%0.377SS..  trans-71.1125.1169-179.7-75.3000109.5E171 Q172 H173N169-E171 VanDerWaalsContact C-N 3.29Å; N169-E171 PolarHBondContact O-N 2.86Å; N169-E171 WeakPolarHBondContact OD1-CA 3.32Å; N169-E171 WeakPolarHBondContact OD1-CB 3.43Å; N169-E171 PolarHBondContact OD1-N 2.93Å; N169-Q172 HydrophobicContact CB-CB 4.23Å; N169-Q172 PolarHBondContact O-N 2.97Å; N169-Q172 PolarHBondContact OD1-N 2.96Å; N169-H173 PolarHBondContact N-ND1 3.36Å; N169-H173 VanDerWaalsContact N-ND1 3.16Å; N169-H173 WeakPolarHBondContact O-CB 3.49Å; N169-H173 PolarHBondContact O-N 3.35Å
170S95.3Very high95.3Very high58 Ų5870.1 Ų70.141%0.40636%0.364SS..THydrogen-bonded Turntrans-66.4-26.2-174.751.40000114.3P168 L174P168-S170 PolarHBondContact O-N 3.46Å; S170-L174 WeakPolarHBondContact O-CB 3.22Å
171E95.7Very high95.4Very high96 Ų9669.9 Ų69.945%0.44936%0.358SS..THydrogen-bonded Turntrans-82.3-46.8176.5-176.263.6-154.900111.5K90 N169K90-E171 IonicContact NZ-OE1 3.78Å; K90-E171 PolarHBondContact NZ-OE1 2.9Å; K90-E171 IonicContact NZ-OE2 3.88Å; K90-E171 PolarHBondContact NZ-OE2 2.86Å; N169-E171 VanDerWaalsContact C-N 3.29Å; N169-E171 PolarHBondContact O-N 2.86Å; N169-E171 WeakPolarHBondContact OD1-CA 3.32Å; N169-E171 WeakPolarHBondContact OD1-CB 3.43Å; N169-E171 PolarHBondContact OD1-N 2.93Å
172Q94.9Very high95.5Very high133 Ų13373 Ų7362%0.62137%0.374SS*.THydrogen-bonded Turntrans-87.1-27.7-168.5-64.8-176.1-3100113.5N169N169-Q172 HydrophobicContact CB-CB 4.23Å; N169-Q172 PolarHBondContact O-N 2.97Å; N169-Q172 PolarHBondContact OD1-N 2.96Å
173H96.6Very high95.7Very high94 Ų9469.9 Ų69.944%0.43536%0.364SS..SBendtrans-114.9-5.8-168.5-54.2158.3000114.5F117 V150 P168 N169F117-H173 WeakPolarHBondContact CE1-O 3.37Å; F117-H173 HydrophobicContact CZ-CB 4.17Å; F117-H173 WeakPolarHBondContact CZ-O 3.3Å; V150-H173 WeakPolarHBondContact CG1-O 3.49Å; P168-H173 HydrophobicContact CB-CB 4.14Å; N169-H173 PolarHBondContact N-ND1 3.36Å; N169-H173 VanDerWaalsContact N-ND1 3.16Å; N169-H173 WeakPolarHBondContact O-CB 3.49Å; N169-H173 PolarHBondContact O-N 3.35Å
174L97.1Very high95.6Very high1 Ų165.1 Ų65.11%0.00533%0.332CS..  trans-101.53.4-179.6-69.2177.3000114.9L87 V105 T107 W113 F117 V150 S170 P176L87-L174 HydrophobicContact CD2-CD1 4.07Å; V105-L174 HydrophobicContact CG2-CB 4.32Å; V105-L174 WeakPolarHBondContact CG2-O 3.33Å; T107-L174 HydrophobicContact CG2-CD1 3.71Å; W113-L174 HydrophobicContact CB-CD1 4.11Å; W113-L174 HydrophobicContact CB-CD2 4.36Å; W113-L174 HydrophobicContact CG-CD1 4.21Å; F117-L174 HydrophobicContact CD2-CD2 4.28Å; F117-L174 HydrophobicContact CE2-CD2 3.44Å; F117-L174 VanDerWaalsContact CE2-CD2 3.44Å; F117-L174 HydrophobicContact CZ-CD2 3.84Å; V150-L174 WeakPolarHBondContact CG2-O 3.31Å; S170-L174 WeakPolarHBondContact O-CB 3.22Å; L174-P176 WeakPolarHBondContact O-CD 3.15Å
175S97.7Very high95.5Very high13 Ų1362.4 Ų62.49%0.09132%0.32CS..  trans-71.6109.9179.5-67.70000110.7Q102 L103Q102-S175 PolarHBondContact NE2-O 3.33Å; L103-S175 WeakPolarHBondContact O-CA 3.27Å
176P98.3Very high95.5Very high0 Ų066.2 Ų66.20%033%0.331CS..  trans-70.4139.4-176.1-1935.9000111L87 Q102 L103 V105 L121 A148 C149 V150 L174 F247L87-P176 HydrophobicContact CD1-CG 4.45Å; Q102-P176 CarbonylContact C-O 3.51Å; Q102-P176 WeakPolarHBondContact CA-O 3.3Å; Q102-P176 WeakPolarHBondContact CB-O 3.25Å; L103-P176 PolarHBondContact N-O 2.98Å; L103-P176 WeakPolarHBondContact O-CD 3.21Å; V105-P176 HydrophobicContact CG1-CG 4.29Å; L121-P176 HydrophobicContact CD1-CB 4.33Å; L121-P176 HydrophobicContact CD1-CG 4.29Å; A148-P176 HydrophobicContact CB-CB 3.76Å; C149-P176 WeakPolarHBondContact O-CA 3.29Å; V150-P176 HydrophobicContact CG2-CB 3.9Å; V150-P176 HydrophobicContact CG2-CG 3.68Å; L174-P176 WeakPolarHBondContact O-CD 3.15Å; P176-F247 HydrophobicContact CB-CE1 4.39Å; P176-F247 HydrophobicContact CB-CE2 4.32Å; P176-F247 HydrophobicContact CB-CZ 3.99Å; P176-F247 HydrophobicContact CG-CD2 4.03Å; P176-F247 HydrophobicContact CG-CE1 4.44Å; P176-F247 HydrophobicContact CG-CE2 3.63Å; P176-F247 HydrophobicContact CG-CZ 3.83Å
177I98.4Very high95.3Very high41 Ų4169.5 Ų69.521%0.2135%0.348CS..EExtended strand (participates in β ladder)trans-75.6127.3173.4-61.8173.3000108.4Y100 Q102 A148 C149 P151Y100-I177 HydrophobicContact CD1-CD1 4.13Å; Y100-I177 HydrophobicContact CD1-CG2 3.76Å; Y100-I177 HydrophobicContact CE1-CD1 4.48Å; Y100-I177 HydrophobicContact CG-CD1 4.3Å; Y100-I177 HydrophobicContact CG-CG2 4.38Å; Q102-I177 HydrophobicContact CG-CG1 4.06Å; A148-I177 WeakPolarHBondContact CA-O 3.36Å; A148-I177 WeakPolarHBondContact CB-O 3.31Å; C149-I177 PolarHBondContact N-O 3.2Å; C149-I177 PolarHBondContact O-N 3.17Å; P151-I177 HydrophobicContact CG-CD1 3.74Å
178L97.3Very high94.7Very high32 Ų3263.4 Ų63.417%0.16832%0.321CS..EExtended strand (participates in β ladder)trans-95-50.1175-178.965.6000110.8I101 I147 L225I101-L178 PolarHBondContact O-N 3.22Å; I147-L178 HydrophobicContact CB-CD1 4.06Å; I147-L178 HydrophobicContact CD1-CD1 3.85Å; I147-L178 HydrophobicContact CG1-CD1 4.08Å; L178-L225 HydrophobicContact CD2-CB 4.36Å
179C97Very high93.7Very high31 Ų3166.2 Ų66.221%0.20934%0.338CS..EExtended strand (participates in β ladder)trans-161.4172.518064.80000111.3I101I101-C179 PolarHBondContact N-O 2.63Å; I101-C179 PolarHBondContact O-N 3.09Å
180T97.2Very high92.4Very high50 Ų5068.8 Ų68.831%0.30735%0.352SS..EExtended strand (participates in β ladder)trans-82.3146.8167.666.40000110.6Y100 L182 M183 E184Y100-T180 HydrophobicContact CD1-CG2 4.15Å; Y100-T180 HydrophobicContact CE1-CG2 4.01Å; T180-L182 PolarHBondContact O-N 2.85Å; T180-M183 PolarHBondContact O-N 2.89Å; T180-M183 VanDerWaalsContact O-N 3.14Å; T180-M183 WeakPolarHBondContact OG1-CB 3.14Å; T180-M183 VanDerWaalsContact OG1-CG 3.3Å; T180-M183 WeakPolarHBondContact OG1-CG 3.2Å; T180-M183 PolarHBondContact OG1-N 3.42Å; T180-M183 VanDerWaalsContact OG1-N 3.17Å; T180-E184 PolarHBondContact O-N 3.27Å; T180-E184 VanDerWaalsContact O-N 3.15Å
181R95Very high90.6Very high114 Ų11468 Ų6843%0.4335%0.349SS..Hα-helixtrans-55.4-35.6171.9179.5177.8175.686.7-2112.3L96 G99 E184 Q185L96-R181 HydrophobicContact CD1-CB 4.06Å; L96-R181 HydrophobicContact CD1-CG 4.4Å; G99-R181 WeakPolarHBondContact O-CB 3.28Å; G99-R181 PolarHBondContact O-N 2.86Å; R181-E184 PolarHBondContact O-N 2.98Å; R181-Q185 HydrophobicContact CG-CG 4.41Å; R181-Q185 VanDerWaalsContact O-CG 3.3Å; R181-Q185 WeakPolarHBondContact O-CG 3.26Å; R181-Q185 PolarHBondContact O-N 2.73Å
182L95.6Very high88.4Confident112 Ų11269 Ų6959%0.58635%0.354SS*.Hα-helixtrans-59.8-49.9177.3178.665.3000111.4T180 E184 Q185 L186T180-L182 PolarHBondContact O-N 2.85Å; L182-E184 VanDerWaalsContact C-N 3.32Å; L182-E184 PolarHBondContact O-N 3.26Å; L182-Q185 PolarHBondContact O-N 3.02Å; L182-L186 HydrophobicContact CD1-CD1 4.46Å; L182-L186 HydrophobicContact CG-CD1 4.22Å; L182-L186 WeakPolarHBondContact O-CG 3.35Å; L182-L186 PolarHBondContact O-N 3.28Å
183M95.8Very high85.8Confident92 Ų9268.7 Ų68.745%0.45336%0.357SS..Hα-helixtrans-63.1-38.5178.2-72.4-56.9-60.400112.2T180 Q185 L186 Q187T180-M183 PolarHBondContact O-N 2.89Å; T180-M183 VanDerWaalsContact O-N 3.14Å; T180-M183 WeakPolarHBondContact OG1-CB 3.14Å; T180-M183 VanDerWaalsContact OG1-CG 3.3Å; T180-M183 WeakPolarHBondContact OG1-CG 3.2Å; T180-M183 PolarHBondContact OG1-N 3.42Å; T180-M183 VanDerWaalsContact OG1-N 3.17Å; M183-Q185 PolarHBondContact O-N 2.79Å; M183-L186 PolarHBondContact O-N 3.09Å; M183-L186 HydrophobicContact SD-CD1 4.16Å; M183-Q187 WeakPolarHBondContact O-CG 3.47Å; M183-Q187 PolarHBondContact O-N 2.82Å
184E92.8Very high83.2Confident22 Ų2267.6 Ų67.610%0.10336%0.364CS..Hα-helixtrans-59.4-46.2174-176.362-16100111.8I101 T180 R181 L182 L186 Q187 N188 A224I101-E184 HydrophobicContact CD1-CB 3.61Å; I101-E184 HydrophobicContact CD1-CG 3.73Å; T180-E184 PolarHBondContact O-N 3.27Å; T180-E184 VanDerWaalsContact O-N 3.15Å; R181-E184 PolarHBondContact O-N 2.98Å; L182-E184 VanDerWaalsContact C-N 3.32Å; L182-E184 PolarHBondContact O-N 3.26Å; E184-L186 VanDerWaalsContact C-N 3.33Å; E184-L186 PolarHBondContact O-N 3.24Å; E184-Q187 PolarHBondContact O-N 3.03Å; E184-N188 WeakPolarHBondContact O-CB 3.34Å; E184-N188 PolarHBondContact O-N 3.29Å; E184-A224 PolarHBondContact OE1-N 2.9Å; E184-A224 WeakPolarHBondContact OE2-CB 3.41Å
185Q92Very high80.1Confident63 Ų6373.5 Ų73.529%0.29440%0.395SS..Hα-helixtrans-65.1-35.9179.2-71.8173.7-33.900112.6R181 L182 M183 N188 P189R181-Q185 HydrophobicContact CG-CG 4.41Å; R181-Q185 VanDerWaalsContact O-CG 3.3Å; R181-Q185 WeakPolarHBondContact O-CG 3.26Å; R181-Q185 PolarHBondContact O-N 2.73Å; L182-Q185 PolarHBondContact O-N 3.02Å; M183-Q185 PolarHBondContact O-N 2.79Å; Q185-N188 CarbonylContact O-C 3.58Å; Q185-P189 WeakPolarHBondContact O-CA 3.36Å
186L93.4Very high76.8Confident114 Ų11478.3 Ų78.360%0.59742%0.424SS*.Hα-helixtrans-70.4-40.6177.4-72.5172.8000112.4L182 M183 E184 N188L182-L186 HydrophobicContact CD1-CD1 4.46Å; L182-L186 HydrophobicContact CG-CD1 4.22Å; L182-L186 WeakPolarHBondContact O-CG 3.35Å; L182-L186 PolarHBondContact O-N 3.28Å; M183-L186 PolarHBondContact O-N 3.09Å; M183-L186 HydrophobicContact SD-CD1 4.16Å; E184-L186 VanDerWaalsContact C-N 3.33Å; E184-L186 PolarHBondContact O-N 3.24Å; L186-N188 VanDerWaalsContact C-N 3.31Å
187Q89.2Confident73.5Confident135 Ų13584.2 Ų84.263%0.63146%0.46SS*.Hα-helixtrans-77.1-20.4177.9-65.5-61.8-29.100112.4M183 E184M183-Q187 WeakPolarHBondContact O-CG 3.47Å; M183-Q187 PolarHBondContact O-N 2.82Å; E184-Q187 PolarHBondContact O-N 3.03Å
188N80.8Confident70.1Confident29 Ų2990.8 Ų90.816%0.15549%0.49CS..  trans-139.868.8-176.2-160.95.8000113.1E184 Q185 L186 N190 A191 R227E184-N188 WeakPolarHBondContact O-CB 3.34Å; E184-N188 PolarHBondContact O-N 3.29Å; Q185-N188 CarbonylContact O-C 3.58Å; L186-N188 VanDerWaalsContact C-N 3.31Å; N188-N190 PolarHBondContact O-N 3.38Å; N188-A191 HydrophobicContact CB-CB 4.4Å; N188-A191 PolarHBondContact O-N 2.61Å; N188-R227 VanDerWaalsContact CG-NH2 3.33Å; N188-R227 PolarHBondContact ND2-NH2 3.39Å
189P72.1Confident66.9Low88 Ų8895.2 Ų95.257%0.57152%0.522SS*.G310 helixtrans-62.3-28.1-177.315.6-22.7000113.1Q185 A191Q185-P189 WeakPolarHBondContact O-CA 3.36Å; P189-A191 VanDerWaalsContact C-N 3.3Å; P189-A191 PolarHBondContact O-N 2.93Å
190N67.5Low63.6Low126 Ų12696.8 Ų96.867%0.67454%0.544SS*.G310 helixtrans-73.7-16.8-178.6-68.5-18.9000114N188 Q192 N193N188-N190 PolarHBondContact O-N 3.38Å; N190-Q192 PolarHBondContact O-N 2.76Å; N190-N193 PolarHBondContact O-N 2.79Å
191A59.4Low60.3Low42 Ų42102.1 Ų102.135%0.34757%0.571SS.*G310 helixtrans-66.4-17.518000000113.6N188 P189N188-A191 HydrophobicContact CB-CB 4.4Å; N188-A191 PolarHBondContact O-N 2.61Å; P189-A191 VanDerWaalsContact C-N 3.3Å; P189-A191 PolarHBondContact O-N 2.93Å
192Q49.4Very low57.2Low118 Ų118103.8 Ų103.855%0.55159%0.588SS**G310 helixtrans-71.4-29.1176.1-63.9-154.1800113.2N190 A194N190-Q192 PolarHBondContact O-N 2.76Å; Q192-A194 VanDerWaalsContact C-N 3.31Å; Q192-A194 PolarHBondContact O-N 2.9Å
193N38.6Very low54.6Low126 Ų126103.9 Ų103.967%0.67460%0.598SS**G310 helixtrans-79.2-11.4-173.1-70.4-13.5000113.8N190N190-N193 PolarHBondContact O-N 2.79Å
194A42.1Very low51.6Low70 Ų70104.9 Ų104.958%0.57961%0.61SS**G310 helixtrans-85.7-11.1-177.400000114.3Q192Q192-A194 VanDerWaalsContact C-N 3.31Å; Q192-A194 PolarHBondContact O-N 2.9Å
195N33.6Very low48.7Very low126 Ų126111.5 Ų111.567%0.67465%0.646SS**G310 helixtrans-100.68.7-178.3-77-12.2000114.3
196T27.3Very low45.8Very low114 Ų114114.4 Ų114.470%0.69967%0.668SS**  trans-115.352.5170.1560000110.9
197T29.5Very low42.9Very low123 Ų123114 Ų11476%0.75567%0.674SS**  trans-92.286.4151.9-8.20000105.8C199T197-C199 PolarHBondContact O-N 2.96Å
198E26.7Very low40.4Very low179 Ų179117.4 Ų117.484%0.83669%0.687SS**  trans-50.4128.9161.1-72.4-178.5162.400107.3G200E198-G200 PolarHBondContact O-N 2.89Å
199C29.2Very low38.2Very low125 Ų125123.1 Ų123.185%0.84572%0.717SS**  trans-57.594.8169.8-53.40000107.2T197 N201T197-C199 PolarHBondContact O-N 2.96Å; C199-N201 PolarHBondContact O-N 3.02Å
200G28.2Very low36.2Very low65 Ų65126.5 Ų126.567%0.6773%0.729SS**  trans-54.5125.8173.900000108.4E198 D202E198-G200 PolarHBondContact O-N 2.89Å; G200-D202 PolarHBondContact O-N 3.28Å
201N28.8Very low34.4Very low161 Ų161125.5 Ų125.586%0.86173%0.731SS**  trans-59.481.3172.1-77.5-31.9000110.1C199C199-N201 PolarHBondContact O-N 3.02Å
202D29.6Very low33.2Very low150 Ų150129 Ų12980%0.80275%0.75SS**  trans-104.885.5161.6-94.3-18000108.8G200 T204G200-D202 PolarHBondContact O-N 3.28Å; D202-T204 PolarHBondContact O-N 2.77Å
203S40.1Very low32.4Very low113 Ų113129.4 Ų129.479%0.7976%0.755SS**  trans-67.171.8164.751.80000109.9
204T33.4Very low32Very low114 Ų114128.8 Ų128.870%0.69976%0.76SS**  trans177.993.7157.438.20000108.3D202D202-T204 PolarHBondContact O-N 2.77Å
205N31Very low31.8Very low160 Ų160131.7 Ų131.786%0.85677%0.765SS**  trans-16198.9142.1-106.8-33.4000112.2C207N205-C207 PolarHBondContact O-N 3.48Å
206T32.5Very low32.1Very low124 Ų124131 Ų13176%0.76177%0.767SS**  trans-56.5120155.244.90000110.4
207C31.8Very low33Very low107 Ų107131.9 Ų131.972%0.72377%0.768SS**SBendtrans55.4110137.6-41.60000119.1N205N205-C207 PolarHBondContact O-N 3.48Å
208F37.4Very low34.1Very low205 Ų205136.4 Ų136.490%0.89977%0.771SS**  trans47.488.1137.4-74.2-91.2000117.7
209N33.7Very low36.1Very low149 Ų149132.2 Ų132.280%0.79775%0.754SS**  trans-145.1104.1146-95.6-31.1000111.3
210I31Very low39Very low160 Ų160131.6 Ų131.682%0.82173%0.734SS**  trans48.581.1138.4-47.1167.3000115.6
211C29.9Very low42.2Very low105 Ų105129.2 Ų129.271%0.70971%0.706SS**  trans-141.2121.8141.6-161.70000107.6I213C211-I213 VanDerWaalsContact C-N 3.31Å; C211-I213 PolarHBondContact O-N 2.97Å
212P33.6Very low45.4Very low114 Ų114121.6 Ų121.674%0.7467%0.665SS**  trans-67.595.91722.59.8000108.9
213I32.8Very low48.4Very low128 Ų128116.1 Ų116.166%0.65664%0.637SS**  trans60.271.3136.8-53161.8000113.4C211 L215C211-I213 VanDerWaalsContact C-N 3.31Å; C211-I213 PolarHBondContact O-N 2.97Å; I213-L215 HydrophobicContact CG2-CB 3.68Å; I213-L215 HydrophobicContact CG2-CD1 3.44Å; I213-L215 VanDerWaalsContact CG2-CD1 3.44Å; I213-L215 HydrophobicContact CG2-CG 3.78Å; I213-L215 PolarHBondContact O-N 3.22Å
214S30.1Very low50.9Low112 Ų112111.9 Ų111.978%0.78361%0.609SS**  trans-83.269.3131.652.60000107.4P216S214-P216 WeakPolarHBondContact O-CD 3.41Å
215L37.3Very low53.9Low132 Ų132106.5 Ų106.569%0.69158%0.576SS**  trans-57.7114.4160.7-100.6151.7000104.4I213 N217I213-L215 HydrophobicContact CG2-CB 3.68Å; I213-L215 HydrophobicContact CG2-CD1 3.44Å; I213-L215 VanDerWaalsContact CG2-CD1 3.44Å; I213-L215 HydrophobicContact CG2-CG 3.78Å; I213-L215 PolarHBondContact O-N 3.22Å; L215-N217 PolarHBondContact O-N 3.36Å
216P39.8Very low56.9Low111 Ų111100.4 Ų100.472%0.72154%0.544SS*.  trans-57.3118.8177.316.4-20.1000106.2S214 R218S214-P216 WeakPolarHBondContact O-CD 3.41Å; P216-R218 PolarHBondContact O-N 3.39Å
217N46.8Very low59.9Low133 Ų13397.6 Ų97.671%0.71152%0.519SS*.  trans-41.7101.2-177.9-104-13.3000109L215 N219L215-N217 PolarHBondContact O-N 3.36Å; N217-N219 PolarHBondContact O-N 2.9Å
218R52.4Low63Low218 Ų21894.8 Ų94.882%0.82350%0.497SS*.  trans-62.8128.8161.4-86.7-174168.5-179-2.6105.4P216 R220P216-R218 PolarHBondContact O-N 3.39Å; R218-R220 WeakPolarHBondContact O-CG 3.34Å; R218-R220 PolarHBondContact O-N 3.34Å
219N69.8Low65.8Low90 Ų9085 Ų8548%0.48145%0.454SS..  trans-58.175.8171.9-62-25000110.1E94 N217 H221E94-N219 VanDerWaalsContact OE2-CB 3.31Å; E94-N219 WeakPolarHBondContact OE2-CB 3.39Å; N217-N219 PolarHBondContact O-N 2.9Å; N219-H221 VanDerWaalsContact C-N 3.29Å
220R90.2Very high68.7Low113 Ų11379.1 Ų79.143%0.42642%0.424SS..  trans-70.6-34.5176.9-65.9-164.7-176.7178.10.6110.3N92 S93 E94 R218 E242N92-R220 CarbonylContact C-O 3.59Å; N92-R220 WeakPolarHBondContact CA-O 3.49Å; N92-R220 WeakPolarHBondContact OD1-CG 3.41Å; S93-R220 PolarHBondContact N-O 2.91Å; S93-R220 PolarHBondContact OG-O 2.75Å; E94-R220 PolarHBondContact N-O 3.3Å; E94-R220 VanDerWaalsContact N-O 3.14Å; R218-R220 WeakPolarHBondContact O-CG 3.34Å; R218-R220 PolarHBondContact O-N 3.34Å; R220-E242 IonicContact NH1-OE2 2.71Å; R220-E242 PolarHBondContact NH1-OE2 3.12Å
221H95.3Very high71.8Confident15 Ų1577.9 Ų77.97%0.06942%0.415CS..SBendtrans-132152.3-176.5-52.8-73.6000109.9P91 S93 N219 L225 L226P91-H221 PolarHBondContact O-CE1 3.45Å; P91-H221 PolarHBondContact O-NE2 3.01Å; S93-H221 PolarHBondContact OG-ND1 2.76Å; N219-H221 VanDerWaalsContact C-N 3.29Å; H221-L225 HydrophobicContact CB-CD2 4.38Å; H221-L226 HydrophobicContact CB-CD2 4.12Å; H221-L226 HydrophobicContact CB-CG 4.26Å
222P94.3Very high75Confident1 Ų177.6 Ų77.61%0.00640%0.403CS..  trans-57.2137.3175.6-24.234000111.9E94 I101 L103 A224 L225 L226E94-P222 HydrophobicContact CB-CG 4.22Å; E94-P222 HydrophobicContact CG-CG 4.16Å; I101-P222 HydrophobicContact CG2-CB 3.92Å; I101-P222 HydrophobicContact CG2-CG 3.77Å; L103-P222 HydrophobicContact CD2-CG 3.66Å; P222-A224 VanDerWaalsContact C-N 3.31Å; P222-A224 PolarHBondContact O-N 3.37Å; P222-L225 HydrophobicContact CB-CB 4.34Å; P222-L225 WeakPolarHBondContact O-CB 3.12Å; P222-L225 PolarHBondContact O-N 3.33Å; P222-L226 PolarHBondContact O-N 2.93Å
223P92.7Very high77.9Confident34 Ų3473 Ų7322%0.22137%0.373CS..Hα-helixtrans-54.4-41.4178.7-29.336.2000114.1L225 L226 R227P223-L225 VanDerWaalsContact C-N 3.29Å; P223-L225 PolarHBondContact O-N 3.48Å; P223-L226 PolarHBondContact O-N 2.54Å; P223-R227 PolarHBondContact O-N 2.66Å
224A93.6Very high80.9Confident24 Ų2470.2 Ų70.220%0.19838%0.376CS..Hα-helixtrans-62.6-31.2174.900000114.4E184 P222 L228E184-A224 PolarHBondContact OE1-N 2.9Å; E184-A224 WeakPolarHBondContact OE2-CB 3.41Å; P222-A224 VanDerWaalsContact C-N 3.31Å; P222-A224 PolarHBondContact O-N 3.37Å; A224-L228 WeakPolarHBondContact O-CB 3.21Å; A224-L228 PolarHBondContact O-N 2.91Å
225L95.8Very high84Confident1 Ų165.3 Ų65.31%0.00534%0.341CS..Hα-helixtrans-67-45174176.161.3000110.3L89 L103 L123 L178 H221 P222 P223 R227 L228 L229L89-L225 HydrophobicContact CD2-CD2 4.28Å; L103-L225 HydrophobicContact CD1-CD2 4.18Å; L103-L225 HydrophobicContact CD2-CD2 3.95Å; L123-L225 HydrophobicContact CD2-CD1 3.68Å; L178-L225 HydrophobicContact CD2-CB 4.36Å; H221-L225 HydrophobicContact CB-CD2 4.38Å; P222-L225 HydrophobicContact CB-CB 4.34Å; P222-L225 WeakPolarHBondContact O-CB 3.12Å; P222-L225 PolarHBondContact O-N 3.33Å; P223-L225 VanDerWaalsContact C-N 3.29Å; P223-L225 PolarHBondContact O-N 3.48Å; L225-R227 VanDerWaalsContact C-N 3.33Å; L225-R227 PolarHBondContact O-N 2.98Å; L225-L228 PolarHBondContact O-N 3.48Å; L225-L229 HydrophobicContact CD1-CD1 4.12Å; L225-L229 HydrophobicContact CD1-CG 4.18Å; L225-L229 HydrophobicContact CG-CD1 4.03Å; L225-L229 HydrophobicContact CG-CG 4.5Å; L225-L229 VanDerWaalsContact O-CG 3.29Å; L225-L229 WeakPolarHBondContact O-CG 3.19Å; L225-L229 PolarHBondContact O-N 3.38Å
226L95.4Very high86.7Confident33 Ų3361.1 Ų61.117%0.17332%0.323CS..Hα-helixtrans-62.2-41.3178.2-64.2178.9000111.7H221 P222 P223 L229 S230 E237 I240 L243H221-L226 HydrophobicContact CB-CD2 4.12Å; H221-L226 HydrophobicContact CB-CG 4.26Å; P222-L226 PolarHBondContact O-N 2.93Å; P223-L226 PolarHBondContact O-N 2.54Å; L226-L229 PolarHBondContact O-N 3.22Å; L226-S230 VanDerWaalsContact O-CB 3.3Å; L226-S230 WeakPolarHBondContact O-CB 2.98Å; L226-S230 PolarHBondContact O-N 2.89Å; L226-E237 HydrophobicContact CB-CG 4.22Å; L226-I240 HydrophobicContact CD2-CD1 4.48Å; L226-I240 HydrophobicContact CD2-CG2 4.45Å; L226-L243 HydrophobicContact CD2-CD1 4.44Å
227R94.4Very high89.2Confident65 Ų6558.6 Ų58.625%0.24530%0.301CS..Hα-helixtrans-59.8-48.8174.1-174.1-178.7-56.4124.914.7112.2N188 P223 L225 L229 S230 E231N188-R227 VanDerWaalsContact CG-NH2 3.33Å; N188-R227 PolarHBondContact ND2-NH2 3.39Å; P223-R227 PolarHBondContact O-N 2.66Å; L225-R227 VanDerWaalsContact C-N 3.33Å; L225-R227 PolarHBondContact O-N 2.98Å; R227-L229 VanDerWaalsContact C-N 3.29Å; R227-L229 PolarHBondContact O-N 3.33Å; R227-S230 WeakPolarHBondContact O-CB 3.46Å; R227-S230 PolarHBondContact O-N 3.27Å; R227-S230 VanDerWaalsContact O-N 3.14Å; R227-E231 WeakPolarHBondContact CG-OE1 3.44Å; R227-E231 WeakPolarHBondContact O-CG 3.46Å; R227-E231 PolarHBondContact O-N 3.47Å
228L96.1Very high91.4Very high48 Ų4859.2 Ų59.225%0.25130%0.3SS..Hα-helixtrans-59.3-42.2178.5178.159.4000111.5I143 I147 A224 L225 E231 E232I143-L228 HydrophobicContact CD1-CD2 3.65Å; I143-L228 HydrophobicContact CD1-CG 3.93Å; I143-L228 HydrophobicContact CG1-CD2 4.33Å; I143-L228 HydrophobicContact CG1-CG 4.4Å; I143-L228 HydrophobicContact CG2-CD2 4.16Å; I147-L228 HydrophobicContact CD1-CD2 4.12Å; I147-L228 HydrophobicContact CG2-CD2 4.41Å; A224-L228 WeakPolarHBondContact O-CB 3.21Å; A224-L228 PolarHBondContact O-N 2.91Å; L225-L228 PolarHBondContact O-N 3.48Å; L228-E231 PolarHBondContact O-N 2.85Å; L228-E232 WeakPolarHBondContact O-CB 3.1Å; L228-E232 PolarHBondContact O-N 3.21Å
229L96.9Very high93.5Very high0 Ų051.6 Ų51.60%027%0.274CS..Hα-helixtrans-67.6-37.7175.9-67.1171.2000112.3V127 V141 I143 L225 L226 R227 E232 T233 I240 L243 L245V127-L229 HydrophobicContact CG2-CD2 4.2Å; V141-L229 HydrophobicContact CB-CD2 4.34Å; V141-L229 HydrophobicContact CG1-CD2 4.3Å; V141-L229 HydrophobicContact CG2-CD2 4.04Å; I143-L229 HydrophobicContact CD1-CD2 4.07Å; L225-L229 HydrophobicContact CD1-CD1 4.12Å; L225-L229 HydrophobicContact CD1-CG 4.18Å; L225-L229 HydrophobicContact CG-CD1 4.03Å; L225-L229 HydrophobicContact CG-CG 4.5Å; L225-L229 VanDerWaalsContact O-CG 3.29Å; L225-L229 WeakPolarHBondContact O-CG 3.19Å; L225-L229 PolarHBondContact O-N 3.38Å; L226-L229 PolarHBondContact O-N 3.22Å; R227-L229 VanDerWaalsContact C-N 3.29Å; R227-L229 PolarHBondContact O-N 3.33Å; L229-E232 PolarHBondContact O-N 3.03Å; L229-T233 WeakPolarHBondContact O-CB 3.1Å; L229-T233 WeakPolarHBondContact O-CG2 3.07Å; L229-T233 PolarHBondContact O-N 3.44Å; L229-T233 PolarHBondContact O-OG1 3.13Å; L229-I240 HydrophobicContact CB-CD1 3.98Å; L229-L243 HydrophobicContact CD1-CD1 3.75Å; L229-L243 HydrophobicContact CD1-CD2 3.68Å; L229-L243 HydrophobicContact CD1-CG 4.4Å; L229-L245 HydrophobicContact CD1-CD1 3.97Å; L229-L245 HydrophobicContact CD2-CD1 4.13Å
230S95.6Very high94.7Very high25 Ų2548.4 Ų48.418%0.17526%0.257CS..Hα-helixtrans-60-45.1173.5155.40000111L226 R227 G234 V235L226-S230 VanDerWaalsContact O-CB 3.3Å; L226-S230 WeakPolarHBondContact O-CB 2.98Å; L226-S230 PolarHBondContact O-N 2.89Å; R227-S230 WeakPolarHBondContact O-CB 3.46Å; R227-S230 PolarHBondContact O-N 3.27Å; R227-S230 VanDerWaalsContact O-N 3.14Å; S230-G234 WeakPolarHBondContact O-CA 3.38Å; S230-G234 PolarHBondContact O-N 3.4Å; S230-V235 VanDerWaalsContact CA-O 3.26Å; S230-V235 WeakPolarHBondContact CA-O 3.46Å; S230-V235 WeakPolarHBondContact CB-O 3.41Å; S230-V235 PolarHBondContact O-N 2.97Å; S230-V235 PolarHBondContact OG-O 3.18Å
231E95.7Very high94.9Very high134 Ų13445.9 Ų45.963%0.62625%0.254SS*.Hα-helixtrans-63.4-46.5175.1-70.8169.8-169.100112.1R227 L228 T233R227-E231 WeakPolarHBondContact CG-OE1 3.44Å; R227-E231 WeakPolarHBondContact O-CG 3.46Å; R227-E231 PolarHBondContact O-N 3.47Å; L228-E231 PolarHBondContact O-N 2.85Å; E231-T233 VanDerWaalsContact C-N 3.34Å; E231-T233 PolarHBondContact O-N 3.26Å
232E96.2Very high95Very high99 Ų9948.4 Ų48.446%0.46327%0.265SS..Hα-helixtrans-65.3-35.2-179.4-171.666-156.400112.7V141 L228 L229V141-E232 HydrophobicContact CB-CG 4.28Å; V141-E232 HydrophobicContact CG1-CG 4.19Å; L228-E232 WeakPolarHBondContact O-CB 3.1Å; L228-E232 PolarHBondContact O-N 3.21Å; L229-E232 PolarHBondContact O-N 3.03Å
233T95.2Very high95.1Very high17 Ų1749.1 Ų49.110%0.10427%0.269CS..Hα-helixtrans-95.9-14.5-176.257.20000114.4V127 R139 V141 L229 E231 V235V127-T233 HydrophobicContact CB-CG2 4.49Å; V127-T233 HydrophobicContact CG2-CG2 4.32Å; R139-T233 HydrophobicContact CB-CG2 4.37Å; R139-T233 PolarHBondContact NH1-O 3.49Å; V141-T233 HydrophobicContact CG1-CG2 3.24Å; L229-T233 WeakPolarHBondContact O-CB 3.1Å; L229-T233 WeakPolarHBondContact O-CG2 3.07Å; L229-T233 PolarHBondContact O-N 3.44Å; L229-T233 PolarHBondContact O-OG1 3.13Å; E231-T233 VanDerWaalsContact C-N 3.34Å; E231-T233 PolarHBondContact O-N 3.26Å; T233-V235 VanDerWaalsContact C-N 3.29Å; T233-V235 PolarHBondContact O-N 2.92Å; T233-V235 WeakPolarHBondContact OG1-CG2 3.23Å
234G95.2Very high95.4Very high69 Ų6950.1 Ų50.171%0.71127%0.271SS*.THydrogen-bonded Turntrans67.622.6-174.100000114.6S230S230-G234 WeakPolarHBondContact O-CA 3.38Å; S230-G234 PolarHBondContact O-N 3.4Å
235V94.7Very high95.6Very high9 Ų949.3 Ų49.36%0.05526%0.263CS..SBendtrans-114.4160174.7-58.30000111.2I129 S230 T233 Q239 I240I129-V235 HydrophobicContact CD1-CG1 3.74Å; I129-V235 HydrophobicContact CG2-CG2 3.83Å; S230-V235 VanDerWaalsContact CA-O 3.26Å; S230-V235 WeakPolarHBondContact CA-O 3.46Å; S230-V235 WeakPolarHBondContact CB-O 3.41Å; S230-V235 PolarHBondContact O-N 2.97Å; S230-V235 PolarHBondContact OG-O 3.18Å; T233-V235 VanDerWaalsContact C-N 3.29Å; T233-V235 PolarHBondContact O-N 2.92Å; T233-V235 WeakPolarHBondContact OG1-CG2 3.23Å; V235-Q239 HydrophobicContact CB-CB 4.14Å; V235-Q239 HydrophobicContact CG2-CB 4.29Å; V235-I240 HydrophobicContact CG2-CG1 4.22Å
236S94.3Very high95.7Very high45 Ų4549.7 Ų49.732%0.31527%0.266SS..  trans-72154.1174760000112.2Q238 Q239S236-Q238 PolarHBondContact O-N 3.36Å; S236-Q238 VanDerWaalsContact O-N 3.14Å; S236-Q238 PolarHBondContact OG-OE1 2.91Å; S236-Q239 WeakPolarHBondContact O-CB 3.33Å; S236-Q239 PolarHBondContact O-N 3.36Å; S236-Q239 WeakPolarHBondContact OG-CG 3.37Å; S236-Q239 PolarHBondContact OG-OE1 3.36Å
237E93.7Very high95.9Very high58 Ų5848.2 Ų48.227%0.27126%0.258SS..G310 helixtrans-54.3-33.2175.2-62.9177.6-153.500112.3L226 Q239 I240L226-E237 HydrophobicContact CB-CG 4.22Å; E237-Q239 VanDerWaalsContact C-N 3.28Å; E237-Q239 PolarHBondContact O-N 3.41Å; E237-I240 WeakPolarHBondContact O-CB 3.49Å; E237-I240 PolarHBondContact O-N 3.44Å
238Q92.5Very high96Very high145 Ų14545.3 Ų45.368%0.67825%0.248SC*.G310 helixtrans-73.1-18.8178.6-63.475.423.400113.3S236 I240S236-Q238 PolarHBondContact O-N 3.36Å; S236-Q238 VanDerWaalsContact O-N 3.14Å; S236-Q238 PolarHBondContact OG-OE1 2.91Å; Q238-I240 VanDerWaalsContact C-N 3.34Å
239Q95.2Very high96.1Very high59 Ų5943.6 Ų43.628%0.27624%0.239SC..G310 helixtrans-80.4-18.4174.1-69.3179.4-88.900112.2I129 R130 V235 S236 E237 V241I129-Q239 CarbonylContact C-O 3.56Å; I129-Q239 WeakPolarHBondContact CA-O 3.42Å; R130-Q239 PolarHBondContact N-O 2.83Å; R130-Q239 PolarHBondContact O-NE2 3.34Å; V235-Q239 HydrophobicContact CB-CB 4.14Å; V235-Q239 HydrophobicContact CG2-CB 4.29Å; S236-Q239 WeakPolarHBondContact O-CB 3.33Å; S236-Q239 PolarHBondContact O-N 3.36Å; S236-Q239 WeakPolarHBondContact OG-CG 3.37Å; S236-Q239 PolarHBondContact OG-OE1 3.36Å; E237-Q239 VanDerWaalsContact C-N 3.28Å; E237-Q239 PolarHBondContact O-N 3.41Å; Q239-V241 PolarHBondContact O-N 3.49Å
240I95.5Very high96.2Very high23 Ų2344.2 Ų44.212%0.11824%0.244CC..EExtended strand (participates in β ladder)trans-71.3120.2177.3-60.9177.3000109V127 L226 L229 V235 E237 Q238 L243V127-I240 HydrophobicContact CG1-CB 4.39Å; V127-I240 HydrophobicContact CG1-CG1 4.06Å; V127-I240 HydrophobicContact CG1-CG2 3.83Å; L226-I240 HydrophobicContact CD2-CD1 4.48Å; L226-I240 HydrophobicContact CD2-CG2 4.45Å; L229-I240 HydrophobicContact CB-CD1 3.98Å; V235-I240 HydrophobicContact CG2-CG1 4.22Å; E237-I240 WeakPolarHBondContact O-CB 3.49Å; E237-I240 PolarHBondContact O-N 3.44Å; Q238-I240 VanDerWaalsContact C-N 3.34Å; I240-L243 HydrophobicContact CG2-CD2 3.71Å; I240-L243 HydrophobicContact CG2-CG 4.48Å
241V95.4Very high96.3Very high60 Ų6047.2 Ų47.236%0.36426%0.255SS..EExtended strand (participates in β ladder)trans-101.3-46.6-178.3179.30000111.5I128 R130 L136 Q239I128-V241 WeakPolarHBondContact O-CA 3.49Å; I128-V241 WeakPolarHBondContact O-CB 3.2Å; I128-V241 PolarHBondContact O-N 3.43Å; R130-V241 HydrophobicContact CB-CG2 3.97Å; L136-V241 HydrophobicContact CD2-CG1 4.43Å; L136-V241 HydrophobicContact CD2-CG2 4.11Å; Q239-V241 PolarHBondContact O-N 3.49Å
242E96.3Very high96.4Very high67 Ų6744.4 Ų44.431%0.31325%0.249SC..EExtended strand (participates in β ladder)trans-152.2151.9-176.7-164.454.6-88.700111.6I128 R220I128-E242 HydrophobicContact CB-CB 4.13Å; I128-E242 HydrophobicContact CG1-CB 4.18Å; I128-E242 PolarHBondContact N-O 2.88Å; I128-E242 PolarHBondContact O-N 3.33Å; R220-E242 IonicContact NH1-OE2 2.71Å; R220-E242 PolarHBondContact NH1-OE2 3.12Å
243L97.4Very high96.5Very high17 Ų1740 Ų409%0.08923%0.229CC..EExtended strand (participates in β ladder)trans-117.6134.3-178.3-58.2-174.1000111.3L89 V127 L226 L229 I240 L245L89-L243 HydrophobicContact CD2-CD1 4.2Å; V127-L243 HydrophobicContact CB-CD2 4.39Å; V127-L243 HydrophobicContact CG1-CD2 3.93Å; V127-L243 HydrophobicContact CG2-CD2 3.97Å; L226-L243 HydrophobicContact CD2-CD1 4.44Å; L229-L243 HydrophobicContact CD1-CD1 3.75Å; L229-L243 HydrophobicContact CD1-CD2 3.68Å; L229-L243 HydrophobicContact CD1-CG 4.4Å; I240-L243 HydrophobicContact CG2-CD2 3.71Å; I240-L243 HydrophobicContact CG2-CG 4.48Å; L243-L245 HydrophobicContact CB-CD1 4.28Å; L243-L245 HydrophobicContact CB-CG 4.25Å; L243-L245 HydrophobicContact CD1-CD1 4.14Å; L243-L245 HydrophobicContact CD2-CD1 4.48Å
244E97.6Very high96.6Very high55 Ų5541.6 Ų41.626%0.25724%0.24SC..EExtended strand (participates in β ladder)trans-129.489.7167.2-173.1175.3-178.800108.8F19 R88 G125 R126F19-E244 HydrophobicContact CE2-CG 4.07Å; F19-E244 VanDerWaalsContact CZ-CD 3.48Å; F19-E244 HydrophobicContact CZ-CG 4.31Å; F19-E244 WeakPolarHBondContact CZ-OE1 3.37Å; F19-E244 WeakPolarHBondContact CZ-OE2 3.27Å; R88-E244 IonicContact NH1-OE1 3.3Å; G125-E244 WeakPolarHBondContact CA-O 3.31Å; R126-E244 HydrophobicContact CG-CB 3.92Å; R126-E244 IonicContact CZ-OE2 3.11Å; R126-E244 PolarHBondContact N-O 3.34Å; R126-E244 IonicContact NE-OE2 3.5Å; R126-E244 PolarHBondContact NE-OE2 3.31Å; R126-E244 IonicContact NH2-OE2 3.21Å; R126-E244 PolarHBondContact NH2-OE2 3.02Å; R126-E244 PolarHBondContact O-N 3.44Å
245L98.5Very high96.8Very high6 Ų639.9 Ų39.93%0.03122%0.216CC..EExtended strand (participates in β ladder)trans-124.9147.8-170.9-54.7177.5000110.7L89 L123 A124 V141 L229 L243L89-L245 HydrophobicContact CB-CB 4.27Å; L89-L245 WeakPolarHBondContact CB-O 3.44Å; L89-L245 HydrophobicContact CD2-CB 4.28Å; L89-L245 HydrophobicContact CD2-CD1 4.13Å; L89-L245 PolarHBondContact N-O 3.14Å; L123-L245 HydrophobicContact CD1-CB 3.92Å; L123-L245 HydrophobicContact CD2-CD1 3.87Å; L123-L245 HydrophobicContact CG-CB 4.17Å; L123-L245 HydrophobicContact CG-CD1 4.24Å; A124-L245 CarbonylContact O-C 3.53Å; A124-L245 WeakPolarHBondContact O-CA 3.28Å; V141-L245 HydrophobicContact CG2-CD2 3.39Å; L229-L245 HydrophobicContact CD1-CD1 3.97Å; L229-L245 HydrophobicContact CD2-CD1 4.13Å; L243-L245 HydrophobicContact CB-CD1 4.28Å; L243-L245 HydrophobicContact CB-CG 4.25Å; L243-L245 HydrophobicContact CD1-CD1 4.14Å; L243-L245 HydrophobicContact CD2-CD1 4.48Å
246C98.3Very high96.9Very high10 Ų1040.2 Ų40.27%0.06822%0.221CC..EExtended strand (participates in β ladder)trans-137.4156.3171.269.20000111.5T17 C86 L87 R88 A124T17-C246 WeakPolarHBondContact CG2-SG 3.33Å; C86-C246 HydrophobicContact CB-CB 4.49Å; L87-C246 CarbonylContact O-C 3.57Å; L87-C246 VanDerWaalsContact O-CA 3.27Å; L87-C246 WeakPolarHBondContact O-CA 3.07Å; L87-C246 WeakPolarHBondContact O-CB 3.35Å; R88-C246 HydrophobicContact CG-CB 3.97Å; A124-C246 PolarHBondContact N-O 2.85Å; A124-C246 PolarHBondContact O-N 3.36Å
247F98.5Very high97Very high2 Ų239.7 Ų39.71%0.00922%0.223CC..EExtended strand (participates in β ladder)trans-81.7146.8174.5-71.5-79.8000111.5L87 L103 V105 W116 L121 K122 L123 A148 P176L87-F247 HydrophobicContact CB-CB 4.35Å; L87-F247 HydrophobicContact CB-CD2 4.12Å; L87-F247 PolarHBondContact O-N 3.2Å; L103-F247 HydrophobicContact CB-CE2 4.46Å; L103-F247 HydrophobicContact CB-CZ 4.3Å; L103-F247 HydrophobicContact CD1-CE2 4.45Å; L103-F247 HydrophobicContact CD1-CZ 3.73Å; V105-F247 HydrophobicContact CG1-CD2 3.94Å; V105-F247 HydrophobicContact CG1-CE2 3.58Å; W116-F247 WeakPolarHBondContact CH2-O 3.27Å; W116-F247 HydrophobicContact CZ3-CB 4.02Å; L121-F247 HydrophobicContact CB-CB 4.43Å; L121-F247 HydrophobicContact CB-CD1 3.74Å; L121-F247 HydrophobicContact CB-CE1 4.46Å; L121-F247 HydrophobicContact CB-CG 4.43Å; L121-F247 HydrophobicContact CD1-CB 4.31Å; L121-F247 HydrophobicContact CD1-CD1 4.21Å; L121-F247 HydrophobicContact CD1-CG 4.29Å; K122-F247 VanDerWaalsContact O-CA 3.28Å; K122-F247 WeakPolarHBondContact O-CA 3.17Å; K122-F247 WeakPolarHBondContact O-CD1 3.19Å; L123-F247 HydrophobicContact CB-CE1 4.45Å; L123-F247 HydrophobicContact CD1-CD1 4.04Å; L123-F247 HydrophobicContact CD1-CD2 4.31Å; L123-F247 HydrophobicContact CD1-CE1 3.94Å; L123-F247 HydrophobicContact CD1-CE2 4.2Å; L123-F247 HydrophobicContact CD1-CG 4.25Å; L123-F247 HydrophobicContact CD1-CZ 4.05Å; A148-F247 HydrophobicContact CB-CD1 4.31Å; A148-F247 HydrophobicContact CB-CE1 3.5Å; A148-F247 VanDerWaalsContact CB-CE1 3.5Å; A148-F247 HydrophobicContact CB-CZ 4.11Å; P176-F247 HydrophobicContact CB-CE1 4.39Å; P176-F247 HydrophobicContact CB-CE2 4.32Å; P176-F247 HydrophobicContact CB-CZ 3.99Å; P176-F247 HydrophobicContact CG-CD2 4.03Å; P176-F247 HydrophobicContact CG-CE1 4.44Å; P176-F247 HydrophobicContact CG-CE2 3.63Å; P176-F247 HydrophobicContact CG-CZ 3.83Å
248A98.1Very high97.2Very high4 Ų444 Ų443%0.03325%0.247CC..EExtended strand (participates in β ladder)trans-133.8149.5172.300000110.4P16 L121 K122 A250P16-A248 HydrophobicContact CB-CB 4Å; L121-A248 WeakPolarHBondContact CA-O 3.42Å; K122-A248 PolarHBondContact N-O 3.25Å; K122-A248 PolarHBondContact O-N 3.04Å; A248-A250 PolarHBondContact O-N 3.42Å
249D97.9Very high97.4Very high12 Ų1245.5 Ų45.56%0.06425%0.248CC..EExtended strand (participates in β ladder)trans-55129.7171-176.112.8000110.2Q251 R468D249-Q251 VanDerWaalsContact C-N 3.31Å; D249-Q251 PolarHBondContact OD1-N 2.85Å; D249-Q251 VanDerWaalsContact OD1-N 3.08Å; D249-R468 IonicContact OD2-CZ 2.59Å; D249-R468 IonicContact OD2-NH1 2.79Å; D249-R468 PolarHBondContact OD2-NH1 2.82Å
250A97.9Very high97.4Very high13 Ų1350.1 Ų50.111%0.10727%0.267CS..SBendtrans-74.8-25.5178.800000112.5D120 K122 P146 A248 P252D120-A250 HydrophobicContact CB-CB 3.75Å; D120-A250 WeakPolarHBondContact O-CB 3.27Å; D120-A250 PolarHBondContact O-N 3.05Å; K122-A250 HydrophobicContact CD-CB 4.18Å; K122-A250 VanDerWaalsContact CE-CA 3.44Å; K122-A250 WeakPolarHBondContact CE-O 3.46Å; K122-A250 HydrophobicContact CG-CB 3.83Å; K122-A250 PolarHBondContact NZ-O 3.24Å; K122-A250 VanDerWaalsContact NZ-O 3.13Å; P146-A250 HydrophobicContact CB-CB 3.87Å; A248-A250 PolarHBondContact O-N 3.42Å; A250-P252 VanDerWaalsContact O-CD 3.3Å; A250-P252 WeakPolarHBondContact O-CD 3.36Å
251Q97.9Very high97.5Very high88 Ų8851.7 Ų51.741%0.41127%0.274SS..SBendtrans-67.7117.6-178.1-174.6-177.4-2.400110.2D249 R468D249-Q251 VanDerWaalsContact C-N 3.31Å; D249-Q251 PolarHBondContact OD1-N 2.85Å; D249-Q251 VanDerWaalsContact OD1-N 3.08Å; Q251-R468 VanDerWaalsContact CD-CZ 3.48Å; Q251-R468 PolarHBondContact O-NH1 2.93Å
252P97.9Very high97.6Very high75 Ų7551.2 Ų51.249%0.48727%0.267SS..PPolyproline II helixtrans-61.5146.1-178.6-2333.9000112.5N13 A250 R468N13-P252 WeakPolarHBondContact OD1-CA 3.24Å; A250-P252 VanDerWaalsContact O-CD 3.3Å; A250-P252 WeakPolarHBondContact O-CD 3.36Å; P252-R468 PolarHBondContact O-NH2 2.95Å
253A98.4Very high97.7Very high5 Ų548 Ų484%0.04125%0.252CS..PPolyproline II helixtrans-55.8141.216700000110.6I9 I12 N13 H264 A265I9-A253 HydrophobicContact CG1-CB 4.4Å; I9-A253 HydrophobicContact CG2-CB 4.18Å; I9-A253 VanDerWaalsContact CG2-O 3.31Å; I9-A253 WeakPolarHBondContact CG2-O 3.49Å; I12-A253 HydrophobicContact CB-CB 4.46Å; I12-A253 HydrophobicContact CG2-CB 4.2Å; N13-A253 PolarHBondContact ND2-O 3.45Å; N13-A253 WeakPolarHBondContact OD1-CB 3.34Å; N13-A253 PolarHBondContact OD1-N 2.97Å; A253-H264 CarbonylContact C-O 3.55Å; A253-H264 VanDerWaalsContact CA-O 3.24Å; A253-H264 WeakPolarHBondContact CA-O 3.29Å; A253-A265 HydrophobicContact CB-CB 3.55Å
254C98.2Very high97.8Very high51 Ų5150 Ų5035%0.34526%0.261SS..EExtended strand (participates in β ladder)trans-153.2161.1-176.465.30000113H264C254-H264 PolarHBondContact N-O 2.65Å; C254-H264 PolarHBondContact O-N 2.94Å
255V98.3Very high97.8Very high33 Ų3347.4 Ų47.420%0.225%0.249CC..EExtended strand (participates in β ladder)trans-81.7134.2167.9179.30000109.5M1 V5 I9 K260 F262M1-V255 HydrophobicContact CE-CB 4.05Å; M1-V255 HydrophobicContact CE-CG2 3.54Å; M1-V255 HydrophobicContact CG-CG2 4.49Å; M1-V255 HydrophobicContact SD-CG2 3.79Å; V5-V255 HydrophobicContact CG1-CG2 3.47Å; V5-V255 VanDerWaalsContact CG1-CG2 3.47Å; I9-V255 HydrophobicContact CD1-CG2 3.53Å; V255-K260 HydrophobicContact CG1-CB 3.67Å; V255-K260 HydrophobicContact CG1-CG 4.37Å; V255-K260 WeakPolarHBondContact CG1-O 3.43Å; V255-F262 CarbonylContact C-O 3.48Å; V255-F262 VanDerWaalsContact CA-O 3.28Å; V255-F262 WeakPolarHBondContact CA-O 3.42Å
256G96.6Very high97.8Very high16 Ų1647.4 Ų47.417%0.16525%0.249CC..EExtended strand (participates in β ladder)trans-138.5-166.8177.100000113.1K260 E261 F262G256-K260 CarbonylContact O-C 3.54Å; G256-K260 VanDerWaalsContact O-CA 3.22Å; G256-K260 WeakPolarHBondContact O-CA 3.4Å; G256-E261 PolarHBondContact O-N 2.98Å; G256-F262 PolarHBondContact N-O 3.44Å; G256-F262 PolarHBondContact O-N 2.8Å
257G96.8Very high97.8Very high35 Ų3548.5 Ų48.536%0.36125%0.252SS..SBendtrans81.5155.1-170.300000113.3Y259 K260G257-Y259 PolarHBondContact O-N 3.49Å; G257-K260 PolarHBondContact O-N 3.45Å
258L97.1Very high97.8Very high148 Ų14848.4 Ų48.478%0.77525%0.251SS*.THydrogen-bonded Turntrans-55.6-37.7-178.6179.461.4000111.9
259Y97Very high97.8Very high176 Ų17648.4 Ų48.469%0.6925%0.251SS*.THydrogen-bonded Turntrans-10315.5-179.1-55.5-62.9000113.8G257 E261G257-Y259 PolarHBondContact O-N 3.49Å; Y259-E261 PolarHBondContact O-N 2.95Å
260K96.4Very high97.9Very high157 Ų15747.9 Ų47.968%0.68325%0.248SC*.SBendtrans5737.3-177.9-59.4-179.9-179.1178.70112.5V255 G256 G257V255-K260 HydrophobicContact CG1-CB 3.67Å; V255-K260 HydrophobicContact CG1-CG 4.37Å; V255-K260 WeakPolarHBondContact CG1-O 3.43Å; G256-K260 CarbonylContact O-C 3.54Å; G256-K260 VanDerWaalsContact O-CA 3.22Å; G256-K260 WeakPolarHBondContact O-CA 3.4Å; G257-K260 PolarHBondContact O-N 3.45Å
261E96.6Very high97.9Very high55 Ų5547.2 Ų47.226%0.25724%0.243SC..  trans-100.3-0.6-171.573.4-162.513200113.6G256 Y259 H393 C472 S473G256-E261 PolarHBondContact O-N 2.98Å; Y259-E261 PolarHBondContact O-N 2.95Å; E261-H393 IonicContact OE2-NE2 3.8Å; E261-C472 CarbonylContact O-C 3.39Å; E261-C472 WeakPolarHBondContact O-CA 3.41Å; E261-S473 WeakPolarHBondContact CA-OG 3.3Å; E261-S473 PolarHBondContact O-N 3.14Å; E261-S473 PolarHBondContact O-OG 2.89Å
262F98.3Very high97.9Very high50 Ų5043 Ų4322%0.21922%0.223CC..EExtended strand (participates in β ladder)trans-121.3149.2-178.4-58.4-43.1000112.4V255 G256 F392 L470 C471V255-F262 CarbonylContact C-O 3.48Å; V255-F262 VanDerWaalsContact CA-O 3.28Å; V255-F262 WeakPolarHBondContact CA-O 3.42Å; G256-F262 PolarHBondContact N-O 3.44Å; G256-F262 PolarHBondContact O-N 2.8Å; F262-F392 HydrophobicContact CD1-CD2 4.22Å; F262-F392 HydrophobicContact CD1-CE2 4.06Å; F262-F392 AromaticContact CE1-CD2 3.79Å; F262-F392 HydrophobicContact CE1-CD2 3.79Å; F262-F392 AromaticContact CE1-CE2 3.91Å; F262-F392 HydrophobicContact CE1-CE2 3.91Å; F262-L470 HydrophobicContact CB-CD1 3.63Å; F262-L470 HydrophobicContact CD1-CD1 4.49Å; F262-L470 HydrophobicContact CG-CD1 4.02Å; F262-C471 CarbonylContact C-O 3.5Å; F262-C471 WeakPolarHBondContact CA-O 3.23Å
263I98.6Very high98Very high0 Ų039.5 Ų39.50%020%0.2CC..EExtended strand (participates in β ladder)trans-112.1119.1168-57.2175.9000107V5 L8 I9 A265 L268 L470 C471V5-I263 HydrophobicContact CB-CD1 4.5Å; V5-I263 HydrophobicContact CG1-CD1 4.03Å; V5-I263 HydrophobicContact CG1-CG1 4.22Å; V5-I263 HydrophobicContact CG2-CD1 4.3Å; L8-I263 HydrophobicContact CD2-CD1 4.02Å; I9-I263 HydrophobicContact CG1-CG2 4.12Å; I263-A265 HydrophobicContact CG2-CB 4.24Å; I263-L268 HydrophobicContact CG2-CD2 4.49Å; I263-L470 WeakPolarHBondContact O-CA 3.36Å; I263-C471 PolarHBondContact N-O 3.01Å; I263-C471 PolarHBondContact O-N 3.17Å; I263-C471 VanDerWaalsContact O-N 3.16Å
264H98.3Very high98Very high59 Ų5939.2 Ų39.227%0.27320%0.198SC..EExtended strand (participates in β ladder)trans-99.8115.6173-57.2-92.9000108.1A253 C254 R468A253-H264 CarbonylContact C-O 3.55Å; A253-H264 VanDerWaalsContact CA-O 3.24Å; A253-H264 WeakPolarHBondContact CA-O 3.29Å; C254-H264 PolarHBondContact N-O 2.65Å; C254-H264 PolarHBondContact O-N 2.94Å; H264-R468 PolarHBondContact O-NH2 2.94Å
265A98.5Very high98Very high0 Ų037 Ų370%018%0.182CC..EExtended strand (participates in β ladder)trans-154.8149.2-175.400000111.6I12 A253 I263 L268 E469I12-A265 HydrophobicContact CD1-CB 3.75Å; I12-A265 HydrophobicContact CG2-CB 4.32Å; A253-A265 HydrophobicContact CB-CB 3.55Å; I263-A265 HydrophobicContact CG2-CB 4.24Å; A265-L268 HydrophobicContact CB-CD2 3.91Å; A265-L268 HydrophobicContact CB-CG 4Å; A265-E469 PolarHBondContact N-O 2.94Å; A265-E469 WeakPolarHBondContact O-CA 3.47Å; A265-E469 WeakPolarHBondContact O-CB 3.22Å; A265-E469 PolarHBondContact O-N 2.88Å
266P98.1Very high98.1Very high6 Ų635.4 Ų35.44%0.03917%0.173CC..THydrogen-bonded Turntrans-71.5157162.534.7-36.5000109.6I12 L268 C467I12-P266 HydrophobicContact CG2-CG 4.05Å; I12-P266 WeakPolarHBondContact CG2-O 3.41Å; P266-L268 PolarHBondContact O-N 3.49Å; P266-L268 VanDerWaalsContact O-N 3.17Å; P266-C467 WeakPolarHBondContact CB-O 3.28Å
267R98.4Very high98.2Very high34 Ų3434.6 Ų34.613%0.12817%0.165CC..THydrogen-bonded Turntrans59.827.2167-52.4-177.9-65.6-69-6.2114.5I12 S15 S84 D269 L271I12-R267 PolarHBondContact O-NH2 3.17Å; S15-R267 PolarHBondContact O-NE 2.78Å; S15-R267 VanDerWaalsContact O-NE 3.07Å; S15-R267 PolarHBondContact O-NH2 3Å; S15-R267 VanDerWaalsContact O-NH2 3.12Å; S84-R267 WeakPolarHBondContact OG-CB 3.3Å; S84-R267 WeakPolarHBondContact OG-CG 3.44Å; R267-D269 CarbonylContact C-O 3.38Å; R267-D269 CarbonylContact O-C 3.55Å; R267-D269 PolarHBondContact O-N 3.39Å; R267-L271 HydrophobicContact CB-CD1 3.78Å; R267-L271 HydrophobicContact CB-CG 3.96Å; R267-L271 WeakPolarHBondContact O-CB 3.18Å; R267-L271 VanDerWaalsContact O-CG 3.26Å; R267-L271 WeakPolarHBondContact O-CG 3.19Å; R267-L271 PolarHBondContact O-N 2.81Å; R267-L271 VanDerWaalsContact O-N 3.09Å
268L98.7Very high98.3Very high0 Ų033.1 Ų33.10%015%0.148CC..Hα-helixtrans-56.7-37.9167.7-69.3173.9000109.1L8 I12 I263 A265 P266 N270 L271 F272 E469 C471L8-L268 HydrophobicContact CD2-CD2 4.25Å; I12-L268 HydrophobicContact CD1-CD2 3.75Å; I263-L268 HydrophobicContact CG2-CD2 4.49Å; A265-L268 HydrophobicContact CB-CD2 3.91Å; A265-L268 HydrophobicContact CB-CG 4Å; P266-L268 PolarHBondContact O-N 3.49Å; P266-L268 VanDerWaalsContact O-N 3.17Å; L268-N270 CarbonylContact O-C 3.55Å; L268-N270 VanDerWaalsContact O-C 3.3Å; L268-N270 WeakPolarHBondContact O-CA 3.34Å; L268-L271 PolarHBondContact O-N 3.41Å; L268-F272 WeakPolarHBondContact O-CB 3.45Å; L268-F272 PolarHBondContact O-N 2.95Å; L268-E469 VanDerWaalsContact CA-OE2 3.29Å; L268-E469 WeakPolarHBondContact CA-OE2 3.15Å; L268-E469 HydrophobicContact CB-CB 4.28Å; L268-E469 VanDerWaalsContact CB-OE2 3.22Å; L268-E469 WeakPolarHBondContact CB-OE2 3.32Å; L268-E469 HydrophobicContact CD1-CB 3.87Å; L268-E469 HydrophobicContact CG-CB 4.24Å; L268-E469 PolarHBondContact N-OE2 3.48Å; L268-C471 HydrophobicContact CD1-CB 3.92Å
269D98.5Very high98.4Very high4 Ų426.9 Ų26.92%0.02112%0.115CC..Hα-helixtrans-78.8105.2160.2-143.612.2000111.6S84 R267 M464 H465 E469S84-D269 VanDerWaalsContact CB-O 3.31Å; S84-D269 WeakPolarHBondContact CB-O 3.26Å; S84-D269 PolarHBondContact OG-O 3.13Å; R267-D269 CarbonylContact C-O 3.38Å; R267-D269 CarbonylContact O-C 3.55Å; R267-D269 PolarHBondContact O-N 3.39Å; D269-M464 HydrophobicContact CB-CG 4.27Å; D269-M464 VanDerWaalsContact OD2-CE 3.29Å; D269-M464 WeakPolarHBondContact OD2-CE 3.31Å; D269-M464 WeakPolarHBondContact OD2-CG 3.4Å; D269-H465 IonicContact OD2-CD2 2.66Å; D269-H465 IonicContact OD2-NE2 3.96Å; D269-H465 PolarHBondContact OD2-NE2 2.96Å; D269-E469 PolarHBondContact N-OE2 3.25Å
270N98.6Very high98.5Very high0 Ų018.5 Ų18.50%08%0.082CC..Hα-helixcis-123.130.1-4.4-167.322.2000112.8H81 L268 F272 N273 S274 A370 D371H81-N270 PolarHBondContact CD2-ND2 2.81Å; H81-N270 WeakPolarHBondContact CE1-CB 3.18Å; H81-N270 PolarHBondContact N-ND2 2.88Å; H81-N270 WeakPolarHBondContact NE2-CB 3.43Å; H81-N270 PolarHBondContact NE2-ND2 3.46Å; L268-N270 CarbonylContact O-C 3.55Å; L268-N270 VanDerWaalsContact O-C 3.3Å; L268-N270 WeakPolarHBondContact O-CA 3.34Å; N270-F272 PolarHBondContact O-N 2.93Å; N270-F272 VanDerWaalsContact O-N 3.17Å; N270-N273 PolarHBondContact O-N 2.85Å; N270-N273 VanDerWaalsContact O-N 3.14Å; N270-N273 WeakPolarHBondContact OD1-CB 3.3Å; N270-N273 PolarHBondContact OD1-ND2 2.97Å; N270-S274 PolarHBondContact O-N 3.44Å; N270-S274 PolarHBondContact O-OG 2.8Å; N270-A370 PolarHBondContact ND2-O 3.03Å; N270-D371 WeakPolarHBondContact ND2-CA 3.41Å
271L98.8Very high98.6Very high0 Ų011 Ų110%05%0.05CC..Hα-helixtrans-63.2-21.9175.3-57.1-170.9000112.3F11 I12 V21 R267 L268 Y275F11-L271 HydrophobicContact CD1-CB 4.43Å; F11-L271 HydrophobicContact CE1-CB 4.25Å; F11-L271 HydrophobicContact CE1-CD2 4.46Å; I12-L271 HydrophobicContact CG1-CB 4.05Å; I12-L271 HydrophobicContact CG1-CD1 4.2Å; V21-L271 HydrophobicContact CG1-CD2 4.3Å; V21-L271 HydrophobicContact CG2-CD1 4.36Å; V21-L271 HydrophobicContact CG2-CD2 3.46Å; V21-L271 VanDerWaalsContact CG2-CD2 3.46Å; R267-L271 HydrophobicContact CB-CD1 3.78Å; R267-L271 HydrophobicContact CB-CG 3.96Å; R267-L271 WeakPolarHBondContact O-CB 3.18Å; R267-L271 VanDerWaalsContact O-CG 3.26Å; R267-L271 WeakPolarHBondContact O-CG 3.19Å; R267-L271 PolarHBondContact O-N 2.81Å; R267-L271 VanDerWaalsContact O-N 3.09Å; L268-L271 PolarHBondContact O-N 3.41Å; L271-Y275 VanDerWaalsContact O-CB 3.26Å; L271-Y275 WeakPolarHBondContact O-CB 3.31Å; L271-Y275 PolarHBondContact O-N 3.36Å
272F98.9Very high98.7Very high0 Ų09.2 Ų9.20%04%0.042CC..Hα-helixtrans-59.3-54.6170.4-177.6-71.9000111.4L8 L268 N270 Y275 A276 Q372 F459 I476 A479L8-F272 HydrophobicContact CD2-CD2 3.73Å; L8-F272 HydrophobicContact CD2-CE2 4.29Å; L8-F272 HydrophobicContact CD2-CG 4.48Å; L268-F272 WeakPolarHBondContact O-CB 3.45Å; L268-F272 PolarHBondContact O-N 2.95Å; N270-F272 PolarHBondContact O-N 2.93Å; N270-F272 VanDerWaalsContact O-N 3.17Å; F272-Y275 PolarHBondContact O-N 3.14Å; F272-A276 HydrophobicContact CE1-CB 4.45Å; F272-A276 VanDerWaalsContact O-CB 3.28Å; F272-A276 WeakPolarHBondContact O-CB 3.28Å; F272-A276 PolarHBondContact O-N 2.96Å; F272-Q372 HydrophobicContact CB-CG 4.39Å; F272-F459 HydrophobicContact CD1-CB 4.43Å; F272-F459 HydrophobicContact CD1-CD2 4.45Å; F272-F459 HydrophobicContact CE1-CB 3.62Å; F272-F459 AromaticContact CE1-CD2 3.63Å; F272-F459 HydrophobicContact CE1-CD2 3.63Å; F272-F459 AromaticContact CE1-CG 3.67Å; F272-F459 HydrophobicContact CE1-CG 3.67Å; F272-F459 HydrophobicContact CZ-CB 3.76Å; F272-F459 HydrophobicContact CZ-CD2 4.39Å; F272-F459 AromaticContact CZ-CG 3.99Å; F272-F459 HydrophobicContact CZ-CG 3.99Å; F272-I476 HydrophobicContact CD1-CD1 4.17Å; F272-I476 HydrophobicContact CD2-CD1 3.96Å; F272-I476 HydrophobicContact CE1-CD1 3.94Å; F272-I476 HydrophobicContact CE2-CB 3.9Å; F272-I476 HydrophobicContact CE2-CD1 3.73Å; F272-I476 HydrophobicContact CE2-CG1 4.4Å; F272-I476 HydrophobicContact CG-CD1 4.19Å; F272-I476 HydrophobicContact CZ-CB 4.08Å; F272-I476 HydrophobicContact CZ-CD1 3.73Å; F272-A479 HydrophobicContact CE1-CB 3.6Å; F272-A479 HydrophobicContact CZ-CB 4.02Å
273N98.9Very high98.7Very high0 Ų010.3 Ų10.30%05%0.047CC..Hα-helixtrans-78-26.4-178.2-65.9-63.2000112A80 N270 A276 G277 A370 D371 Q372A80-N273 HydrophobicContact CB-CB 4.08Å; N270-N273 PolarHBondContact O-N 2.85Å; N270-N273 VanDerWaalsContact O-N 3.14Å; N270-N273 WeakPolarHBondContact OD1-CB 3.3Å; N270-N273 PolarHBondContact OD1-ND2 2.97Å; N273-A276 PolarHBondContact O-N 3.28Å; N273-G277 WeakPolarHBondContact O-CA 3.45Å; N273-G277 PolarHBondContact O-N 3Å; N273-A370 HydrophobicContact CB-CB 3.9Å; N273-D371 WeakPolarHBondContact ND2-CA 3.12Å; N273-Q372 PolarHBondContact ND2-N 2.7Å; N273-Q372 PolarHBondContact ND2-NE2 2.84Å
274S98.9Very high98.7Very high0 Ų010.3 Ų10.30%05%0.047CC..Hα-helixtrans-59-48168.5-760000111.6H81 N270 L278H81-S274 PolarHBondContact O-OG 2.79Å; N270-S274 PolarHBondContact O-N 3.44Å; N270-S274 PolarHBondContact O-OG 2.8Å; S274-L278 VanDerWaalsContact O-CB 3.26Å; S274-L278 WeakPolarHBondContact O-CB 3.46Å; S274-L278 PolarHBondContact O-N 3.21Å; S274-L278 VanDerWaalsContact O-N 3.12Å
275Y98.9Very high98.7Very high3 Ų38.3 Ų8.31%0.0124%0.039CC..Hα-helixtrans-64.6-50.8174.8175-86.4000111.7H4 L8 F11 L271 F272 G277 L278 H279 I476 V480H4-Y275 HydrophobicContact CB-CE1 4.1Å; H4-Y275 AromaticContact ND1-CE1 3.81Å; H4-Y275 AromaticContact ND1-CZ 3.88Å; H4-Y275 PolarHBondContact ND1-OH 2.98Å; H4-Y275 VanDerWaalsContact ND1-OH 3.07Å; L8-Y275 HydrophobicContact CB-CD1 4.15Å; L8-Y275 HydrophobicContact CB-CE1 4.28Å; L8-Y275 HydrophobicContact CB-CG 4.3Å; L8-Y275 HydrophobicContact CD1-CD1 4.26Å; L8-Y275 HydrophobicContact CD1-CG 3.93Å; F11-Y275 HydrophobicContact CB-CD2 3.76Å; F11-Y275 HydrophobicContact CB-CE2 4.39Å; F11-Y275 HydrophobicContact CD1-CD2 4.21Å; F11-Y275 AromaticContact CG-CD2 3.94Å; F11-Y275 HydrophobicContact CG-CD2 3.94Å; L271-Y275 VanDerWaalsContact O-CB 3.26Å; L271-Y275 WeakPolarHBondContact O-CB 3.31Å; L271-Y275 PolarHBondContact O-N 3.36Å; F272-Y275 PolarHBondContact O-N 3.14Å; Y275-G277 PolarHBondContact O-N 3.24Å; Y275-L278 PolarHBondContact O-N 2.98Å; Y275-H279 AromaticContact CD2-CD2 3.65Å; Y275-H279 AromaticContact CD2-NE2 3.87Å; Y275-H279 AromaticContact CE1-CD2 3.7Å; Y275-H279 AromaticContact CE2-CD2 3.21Å; Y275-H279 WeakPolarHBondContact CE2-CD2 3.39Å; Y275-H279 AromaticContact CE2-NE2 3.09Å; Y275-H279 WeakPolarHBondContact CE2-NE2 3.39Å; Y275-H279 AromaticContact CZ-CD2 3.22Å; Y275-H279 AromaticContact CZ-CE1 3.97Å; Y275-H279 AromaticContact CZ-CG 3.85Å; Y275-H279 AromaticContact CZ-NE2 3.31Å; Y275-H279 VanDerWaalsContact CZ-NE2 3.31Å; Y275-H279 PolarHBondContact O-CD2 2.65Å; Y275-H279 PolarHBondContact O-N 2.75Å; Y275-H279 PolarHBondContact OH-CE1 2.69Å; Y275-H279 PolarHBondContact OH-NE2 2.87Å; Y275-I476 HydrophobicContact CD1-CD1 3.7Å; Y275-I476 HydrophobicContact CD1-CG1 4.07Å; Y275-I476 HydrophobicContact CE1-CD1 4.15Å; Y275-I476 HydrophobicContact CE1-CG1 4.02Å; Y275-V480 HydrophobicContact CE1-CG2 4.33Å
276A98.9Very high98.7Very high0 Ų013.5 Ų13.50%07%0.073CC..Hα-helixtrans-65.6-40.8-174.200000112F272 N273 G280 I476 A479 V480 F483F272-A276 HydrophobicContact CE1-CB 4.45Å; F272-A276 VanDerWaalsContact O-CB 3.28Å; F272-A276 WeakPolarHBondContact O-CB 3.28Å; F272-A276 PolarHBondContact O-N 2.96Å; N273-A276 PolarHBondContact O-N 3.28Å; A276-G280 PolarHBondContact O-N 2.8Å; A276-I476 HydrophobicContact CB-CD1 3.95Å; A276-A479 HydrophobicContact CB-CB 3.69Å; A276-V480 HydrophobicContact CB-CG2 4.2Å; A276-F483 HydrophobicContact CB-CD2 3.79Å; A276-F483 HydrophobicContact CB-CE2 3.73Å
277G98.9Very high98.7Very high0 Ų015.3 Ų15.30%08%0.083CC..Hα-helixtrans-64-42.9174.900000111.9N273 Y275 F281N273-G277 WeakPolarHBondContact O-CA 3.45Å; N273-G277 PolarHBondContact O-N 3Å; Y275-G277 PolarHBondContact O-N 3.24Å; G277-F281 WeakPolarHBondContact O-CB 3.48Å; G277-F281 PolarHBondContact O-N 2.8Å
278L98.9Very high98.7Very high3 Ų313.9 Ų13.92%0.0168%0.078CC..Hα-helixtrans-60.9-49.6174.5177.862.1000112.7V25 F28 L29 S274 Y275 F281 I282 L297V25-L278 HydrophobicContact CB-CD2 4.48Å; V25-L278 HydrophobicContact CG1-CD1 4.25Å; V25-L278 HydrophobicContact CG1-CD2 4.21Å; V25-L278 HydrophobicContact CG2-CD2 4.1Å; F28-L278 HydrophobicContact CB-CD2 4.34Å; F28-L278 HydrophobicContact CD1-CD1 3.88Å; F28-L278 HydrophobicContact CD1-CD2 3.57Å; F28-L278 HydrophobicContact CD1-CG 3.7Å; F28-L278 HydrophobicContact CE1-CD1 4.22Å; F28-L278 HydrophobicContact CE1-CD2 4.06Å; F28-L278 HydrophobicContact CE1-CG 3.81Å; F28-L278 HydrophobicContact CG-CD2 4.12Å; L29-L278 HydrophobicContact CD2-CD1 3.87Å; L29-L278 HydrophobicContact CG-CD1 4.31Å; S274-L278 VanDerWaalsContact O-CB 3.26Å; S274-L278 WeakPolarHBondContact O-CB 3.46Å; S274-L278 PolarHBondContact O-N 3.21Å; S274-L278 VanDerWaalsContact O-N 3.12Å; Y275-L278 PolarHBondContact O-N 2.98Å; L278-F281 WeakPolarHBondContact O-CB 3.19Å; L278-F281 PolarHBondContact O-N 2.79Å; L278-I282 HydrophobicContact CD1-CG1 4.44Å; L278-I282 WeakPolarHBondContact O-CG1 3.26Å; L278-I282 PolarHBondContact O-N 3.43Å; L278-L297 HydrophobicContact CB-CD2 3.92Å; L278-L297 HydrophobicContact CD1-CD2 3.79Å; L278-L297 HydrophobicContact CG-CD2 4.5Å
279H98.9Very high98.7Very high18 Ų1817.6 Ų17.68%0.08311%0.105CC..Hα-helixtrans-67.7-43.5179.7-87-90000112H4 F28 Y275 F281 I282 E283 V480H4-H279 AromaticContact CE1-ND1 3.73Å; H4-H279 AromaticContact ND1-ND1 3.94Å; F28-H279 AromaticContact CE2-CE1 3.75Å; F28-H279 AromaticContact CE2-NE2 3.89Å; F28-H279 AromaticContact CZ-CE1 3.39Å; F28-H279 WeakPolarHBondContact CZ-CE1 3.43Å; F28-H279 AromaticContact CZ-ND1 3.91Å; F28-H279 AromaticContact CZ-NE2 3.65Å; Y275-H279 AromaticContact CD2-CD2 3.65Å; Y275-H279 AromaticContact CD2-NE2 3.87Å; Y275-H279 AromaticContact CE1-CD2 3.7Å; Y275-H279 AromaticContact CE2-CD2 3.21Å; Y275-H279 WeakPolarHBondContact CE2-CD2 3.39Å; Y275-H279 AromaticContact CE2-NE2 3.09Å; Y275-H279 WeakPolarHBondContact CE2-NE2 3.39Å; Y275-H279 AromaticContact CZ-CD2 3.22Å; Y275-H279 AromaticContact CZ-CE1 3.97Å; Y275-H279 AromaticContact CZ-CG 3.85Å; Y275-H279 AromaticContact CZ-NE2 3.31Å; Y275-H279 VanDerWaalsContact CZ-NE2 3.31Å; Y275-H279 PolarHBondContact O-CD2 2.65Å; Y275-H279 PolarHBondContact O-N 2.75Å; Y275-H279 PolarHBondContact OH-CE1 2.69Å; Y275-H279 PolarHBondContact OH-NE2 2.87Å; H279-F281 VanDerWaalsContact C-N 3.3Å; H279-F281 PolarHBondContact O-N 2.98Å; H279-I282 PolarHBondContact O-N 3.24Å; H279-E283 IonicContact ND1-OE1 3.03Å; H279-E283 VanDerWaalsContact O-CB 3.28Å; H279-E283 WeakPolarHBondContact O-CB 3.19Å; H279-E283 VanDerWaalsContact O-CG 3.3Å; H279-E283 WeakPolarHBondContact O-CG 3.49Å; H279-E283 PolarHBondContact O-N 2.87Å; H279-V480 HydrophobicContact CB-CG1 4.02Å; H279-V480 HydrophobicContact CB-CG2 3.91Å
280G98.8Very high98.6Very high0 Ų020 Ų200%012%0.121CC..Hα-helixtrans-60.8-39.1174.200000112.5A276 S284 S484A276-G280 PolarHBondContact O-N 2.8Å; G280-S284 WeakPolarHBondContact O-CB 3.42Å; G280-S284 PolarHBondContact O-N 2.49Å; G280-S284 VanDerWaalsContact O-N 3.07Å; G280-S484 WeakPolarHBondContact O-CA 3.26Å
281F98.9Very high98.6Very high0 Ų020.1 Ų20.10%012%0.122CC..Hα-helixtrans-60.9-50.6174175.8-109000111.8F34 A62 A64 G277 L278 H279 S284 R295 L297 Y487F34-F281 AromaticContact CE1-CE1 3.5Å; F34-F281 HydrophobicContact CE1-CE1 3.5Å; F34-F281 AromaticContact CE1-CZ 3.79Å; F34-F281 HydrophobicContact CE1-CZ 3.79Å; F34-F281 HydrophobicContact CE2-CE1 4.33Å; F34-F281 HydrophobicContact CZ-CD1 4.29Å; F34-F281 AromaticContact CZ-CE1 3.29Å; F34-F281 HydrophobicContact CZ-CE1 3.29Å; F34-F281 AromaticContact CZ-CZ 3.79Å; F34-F281 HydrophobicContact CZ-CZ 3.79Å; A62-F281 HydrophobicContact CB-CE1 3.92Å; A62-F281 HydrophobicContact CB-CZ 4.27Å; A64-F281 HydrophobicContact CB-CE2 4.07Å; A64-F281 HydrophobicContact CB-CZ 3.76Å; G277-F281 WeakPolarHBondContact O-CB 3.48Å; G277-F281 PolarHBondContact O-N 2.8Å; L278-F281 WeakPolarHBondContact O-CB 3.19Å; L278-F281 PolarHBondContact O-N 2.79Å; H279-F281 VanDerWaalsContact C-N 3.3Å; H279-F281 PolarHBondContact O-N 2.98Å; F281-S284 PolarHBondContact O-N 2.88Å; F281-S284 PolarHBondContact O-OG 3.32Å; F281-R295 HydrophobicContact CD2-CB 4.17Å; F281-R295 HydrophobicContact CE2-CB 3.67Å; F281-L297 HydrophobicContact CB-CB 4.44Å; F281-L297 HydrophobicContact CB-CD2 4.41Å; F281-L297 HydrophobicContact CD1-CB 4.43Å; F281-L297 HydrophobicContact CD1-CD2 4.49Å; F281-L297 HydrophobicContact CD2-CB 4.32Å; F281-L297 HydrophobicContact CG-CB 4.17Å; F281-Y487 HydrophobicContact CB-CD2 4.25Å; F281-Y487 HydrophobicContact CB-CE2 3.63Å; F281-Y487 HydrophobicContact CD2-CD1 4.4Å; F281-Y487 HydrophobicContact CD2-CD2 4.48Å; F281-Y487 AromaticContact CD2-CE1 3.9Å; F281-Y487 HydrophobicContact CD2-CE1 3.9Å; F281-Y487 AromaticContact CD2-CE2 4Å; F281-Y487 HydrophobicContact CD2-CE2 4Å; F281-Y487 AromaticContact CD2-CZ 3.67Å; F281-Y487 HydrophobicContact CG-CE2 4.33Å
282I98.8Very high98.4Very high16 Ų1622.1 Ų22.18%0.08214%0.136CC..Hα-helixtrans-64.8-42.8178.4-70-50.3000112.3F28 L29 H32 F34 L278 H279 S284 L285F28-I282 HydrophobicContact CD1-CG1 4.26Å; F28-I282 HydrophobicContact CE1-CB 4.28Å; F28-I282 HydrophobicContact CE1-CG1 3.62Å; L29-I282 HydrophobicContact CD2-CD1 4.16Å; H32-I282 HydrophobicContact CB-CD1 3.97Å; H32-I282 WeakPolarHBondContact CD2-CG2 3.47Å; F34-I282 HydrophobicContact CD2-CD1 4.31Å; F34-I282 HydrophobicContact CE2-CD1 3.46Å; F34-I282 VanDerWaalsContact CE2-CD1 3.46Å; F34-I282 HydrophobicContact CZ-CD1 3.97Å; L278-I282 HydrophobicContact CD1-CG1 4.44Å; L278-I282 WeakPolarHBondContact O-CG1 3.26Å; L278-I282 PolarHBondContact O-N 3.43Å; H279-I282 PolarHBondContact O-N 3.24Å; I282-S284 PolarHBondContact O-N 3.17Å; I282-L285 HydrophobicContact CD1-CD1 3.7Å; I282-L285 VanDerWaalsContact O-CB 3.28Å; I282-L285 WeakPolarHBondContact O-CB 3.07Å; I282-L285 VanDerWaalsContact O-CG 3.24Å; I282-L285 WeakPolarHBondContact O-CG 3.19Å; I282-L285 PolarHBondContact O-N 2.89Å; I282-L285 VanDerWaalsContact O-N 3.11Å
283E98.6Very high98.4Very high73 Ų7322.6 Ų22.634%0.34114%0.138SC..Hα-helixtrans-69-21.6-178.8-74.9173.4-149.200113.2H4 H279 L285 P286 V480H4-E283 IonicContact CE1-OE1 3.65Å; H4-E283 PolarHBondContact CE1-OE1 3.38Å; H4-E283 IonicContact NE2-OE1 3.89Å; H4-E283 PolarHBondContact NE2-OE1 3.42Å; H279-E283 IonicContact ND1-OE1 3.03Å; H279-E283 VanDerWaalsContact O-CB 3.28Å; H279-E283 WeakPolarHBondContact O-CB 3.19Å; H279-E283 VanDerWaalsContact O-CG 3.3Å; H279-E283 WeakPolarHBondContact O-CG 3.49Å; H279-E283 PolarHBondContact O-N 2.87Å; E283-L285 VanDerWaalsContact C-N 3.32Å; E283-P286 WeakPolarHBondContact O-CD 3.44Å; E283-V480 VanDerWaalsContact OE2-CG1 3.23Å; E283-V480 WeakPolarHBondContact OE2-CG1 3.48Å
284S98.7Very high98.3Very high0 Ų022.6 Ų22.60%014%0.138CC..Hα-helixtrans-74-21.8173.179.40000113.1G280 F281 I282 P286 T287 R295 S484 Y487G280-S284 WeakPolarHBondContact O-CB 3.42Å; G280-S284 PolarHBondContact O-N 2.49Å; G280-S284 VanDerWaalsContact O-N 3.07Å; F281-S284 PolarHBondContact O-N 2.88Å; F281-S284 PolarHBondContact O-OG 3.32Å; I282-S284 PolarHBondContact O-N 3.17Å; S284-P286 VanDerWaalsContact C-N 3.35Å; S284-P286 WeakPolarHBondContact O-CD 3.16Å; S284-T287 PolarHBondContact O-N 3.34Å; S284-T287 VanDerWaalsContact O-N 3.14Å; S284-T287 PolarHBondContact O-OG1 3.31Å; S284-R295 PolarHBondContact O-NH1 2.76Å; S284-R295 PolarHBondContact OG-NH1 3.03Å; S284-S484 PolarHBondContact N-OG 3.28Å; S284-Y487 VanDerWaalsContact CB-CB 3.49Å; S284-Y487 WeakPolarHBondContact OG-CB 3.44Å
285L98.7Very high98.3Very high18 Ų1822.7 Ų22.79%0.09414%0.138CC..G310 helixtrans-59.2-27.1-170-62178.7000116.3F34 K50 A64 I282 E283 T287 L288F34-L285 HydrophobicContact CE2-CD1 3.8Å; F34-L285 HydrophobicContact CZ-CD1 4.01Å; K50-L285 HydrophobicContact CD-CD1 4.27Å; A64-L285 HydrophobicContact CB-CD2 3.64Å; I282-L285 HydrophobicContact CD1-CD1 3.7Å; I282-L285 VanDerWaalsContact O-CB 3.28Å; I282-L285 WeakPolarHBondContact O-CB 3.07Å; I282-L285 VanDerWaalsContact O-CG 3.24Å; I282-L285 WeakPolarHBondContact O-CG 3.19Å; I282-L285 PolarHBondContact O-N 2.89Å; I282-L285 VanDerWaalsContact O-N 3.11Å; E283-L285 VanDerWaalsContact C-N 3.32Å; L285-T287 PolarHBondContact O-N 2.92Å; L285-T287 VanDerWaalsContact O-N 3.12Å; L285-L288 HydrophobicContact CD2-CD2 4.26Å; L285-L288 WeakPolarHBondContact O-CB 3.09Å; L285-L288 PolarHBondContact O-N 3.37Å
286P98.4Very high98.3Very high109 Ų10922.5 Ų22.571%0.70814%0.138SC*.G310 helixtrans-55.7-26.4174-28.537.9000114.1E283 S284E283-P286 WeakPolarHBondContact O-CD 3.44Å; S284-P286 VanDerWaalsContact C-N 3.35Å; S284-P286 WeakPolarHBondContact O-CD 3.16Å
287T98.2Very high98.3Very high43 Ų4322.6 Ų22.626%0.26414%0.138SC..G310 helixtrans-92-1.8178.764.30000114.1S284 L285 S289 S290 R295 E488S284-T287 PolarHBondContact O-N 3.34Å; S284-T287 VanDerWaalsContact O-N 3.14Å; S284-T287 PolarHBondContact O-OG1 3.31Å; L285-T287 PolarHBondContact O-N 2.92Å; L285-T287 VanDerWaalsContact O-N 3.12Å; T287-S289 PolarHBondContact O-N 3.42Å; T287-S289 VanDerWaalsContact O-N 3.1Å; T287-S290 PolarHBondContact O-N 3.04Å; T287-S290 PolarHBondContact O-OG 2.9Å; T287-R295 PolarHBondContact OG1-NH1 3.42Å; T287-R295 PolarHBondContact OG1-NH2 2.99Å; T287-E488 HydrophobicContact CG2-CG 4.25Å; T287-E488 WeakPolarHBondContact CG2-OE1 3.14Å; T287-E488 WeakPolarHBondContact OG1-CG 2.93Å
288L98.3Very high98.3Very high4 Ų422.7 Ų22.72%0.02114%0.139CC..G310 helixtrans-58.2-30.1-171.7-170.370.7000113.1L48 A64 G67 L285 S290 E291L48-L288 HydrophobicContact CD2-CB 4.44Å; L48-L288 HydrophobicContact CD2-CD2 4.14Å; L48-L288 HydrophobicContact CD2-CG 4.1Å; A64-L288 HydrophobicContact CB-CD1 3.97Å; A64-L288 HydrophobicContact CB-CD2 4.01Å; G67-L288 PolarHBondContact N-O 3.39Å; L285-L288 HydrophobicContact CD2-CD2 4.26Å; L285-L288 WeakPolarHBondContact O-CB 3.09Å; L285-L288 PolarHBondContact O-N 3.37Å; L288-S290 PolarHBondContact O-N 3.36Å; L288-E291 HydrophobicContact CD1-CB 4.31Å; L288-E291 HydrophobicContact CD1-CG 4.49Å; L288-E291 VanDerWaalsContact O-CB 3.31Å; L288-E291 WeakPolarHBondContact O-CB 3.42Å; L288-E291 PolarHBondContact O-N 3.06Å; L288-E291 VanDerWaalsContact O-N 3.1Å
289S98.1Very high98.3Very high79 Ų7922.6 Ų22.655%0.55214%0.138SC*.G310 helixtrans-60.1-26.9177.560.70000114.6T287T287-S289 PolarHBondContact O-N 3.42Å; T287-S289 VanDerWaalsContact O-N 3.1Å
290S96.8Very high98.3Very high53 Ų5321.8 Ų21.837%0.37114%0.135SC..G310 helixtrans-97.3-7.5178.168.10000113.9T287 L288T287-S290 PolarHBondContact O-N 3.04Å; T287-S290 PolarHBondContact O-OG 2.9Å; L288-S290 PolarHBondContact O-N 3.36Å
291E97.6Very high98.3Very high3 Ų321.8 Ų21.81%0.01414%0.135CC..  trans-74.3136.7-175-17960.4-99.100111.5G66 G67 R68 L288 N293 R295 S491G66-E291 CarbonylContact C-O 3.52Å; G66-E291 VanDerWaalsContact C-O 3.31Å; G66-E291 VanDerWaalsContact CA-O 3.28Å; G66-E291 WeakPolarHBondContact CA-O 3.49Å; G67-E291 PolarHBondContact N-O 2.96Å; R68-E291 CarbonylContact C-O 3.58Å; R68-E291 WeakPolarHBondContact CA-O 3.44Å; R68-E291 WeakPolarHBondContact CB-O 3.39Å; R68-E291 PolarHBondContact N-O 2.94Å; L288-E291 HydrophobicContact CD1-CB 4.31Å; L288-E291 HydrophobicContact CD1-CG 4.49Å; L288-E291 VanDerWaalsContact O-CB 3.31Å; L288-E291 WeakPolarHBondContact O-CB 3.42Å; L288-E291 PolarHBondContact O-N 3.06Å; L288-E291 VanDerWaalsContact O-N 3.1Å; E291-N293 VanDerWaalsContact CG-O 3.31Å; E291-N293 WeakPolarHBondContact CG-O 3.33Å; E291-N293 PolarHBondContact OE1-N 2.94Å; E291-N293 VanDerWaalsContact OE1-N 3.08Å; E291-R295 HydrophobicContact CG-CG 4.49Å; E291-R295 IonicContact OE2-CZ 3.36Å; E291-R295 IonicContact OE2-NE 3.72Å; E291-R295 PolarHBondContact OE2-NE 3.11Å; E291-R295 IonicContact OE2-NH2 2.8Å; E291-R295 PolarHBondContact OE2-NH2 3.29Å; E291-S491 WeakPolarHBondContact OE1-CB 3.29Å; E291-S491 PolarHBondContact OE1-OG 3.32Å
292C96.3Very high98.3Very high43 Ų4323.3 Ų23.329%0.29114%0.142SC..  trans-101.5-12.8176.965.90000113.4F69 N73F69-C292 WeakPolarHBondContact CA-O 3.48Å; F69-C292 WeakPolarHBondContact CD2-O 3.49Å; N73-C292 WeakPolarHBondContact CB-O 3.2Å; N73-C292 PolarHBondContact ND2-O 3.07Å
293N97.4Very high98.3Very high10 Ų1023.6 Ų23.65%0.05314%0.143CC..SBendtrans-97.8166.3175.9-75.9-5.6000112.7G66 G74 T76 E291G66-N293 WeakPolarHBondContact CA-O 3.38Å; G66-N293 PolarHBondContact N-O 2.91Å; G66-N293 VanDerWaalsContact N-O 3.16Å; G74-N293 WeakPolarHBondContact CA-OD1 3.31Å; G74-N293 PolarHBondContact N-OD1 2.87Å; G74-N293 VanDerWaalsContact N-OD1 3.09Å; G74-N293 VanDerWaalsContact O-CA 3.23Å; G74-N293 WeakPolarHBondContact O-CA 3.45Å; G74-N293 WeakPolarHBondContact O-CB 3.39Å; G74-N293 VanDerWaalsContact O-CG 3.3Å; G74-N293 PolarHBondContact O-OD1 3.25Å; T76-N293 PolarHBondContact OG1-ND2 3.33Å; E291-N293 VanDerWaalsContact CG-O 3.31Å; E291-N293 WeakPolarHBondContact CG-O 3.33Å; E291-N293 PolarHBondContact OE1-N 2.94Å; E291-N293 VanDerWaalsContact OE1-N 3.08Å
294I98.3Very high98.2Very high0 Ų021.3 Ų21.30%013%0.132CC..EExtended strand (participates in β ladder)trans-88.2127.3160.2-67.5167000108.1A63 V65 F69 G74 F75 T76 L296A63-I294 HydrophobicContact CB-CG2 4.14Å; V65-I294 HydrophobicContact CB-CG1 4.47Å; V65-I294 HydrophobicContact CG1-CG1 4.24Å; V65-I294 HydrophobicContact CG2-CG1 4.33Å; F69-I294 HydrophobicContact CD1-CD1 4.17Å; F69-I294 HydrophobicContact CD1-CG1 4.2Å; F69-I294 HydrophobicContact CD2-CD1 4.24Å; F69-I294 HydrophobicContact CD2-CG1 3.67Å; F69-I294 HydrophobicContact CE1-CD1 3.69Å; F69-I294 HydrophobicContact CE1-CG1 4.15Å; F69-I294 HydrophobicContact CE2-CB 4.42Å; F69-I294 HydrophobicContact CE2-CD1 3.77Å; F69-I294 HydrophobicContact CE2-CG1 3.61Å; F69-I294 HydrophobicContact CG-CD1 4.44Å; F69-I294 HydrophobicContact CG-CG1 3.99Å; F69-I294 HydrophobicContact CZ-CD1 3.48Å; F69-I294 VanDerWaalsContact CZ-CD1 3.48Å; F69-I294 HydrophobicContact CZ-CG1 3.87Å; G74-I294 PolarHBondContact O-N 3.4Å; F75-I294 CarbonylContact C-O 3.54Å; F75-I294 VanDerWaalsContact CA-O 3.25Å; F75-I294 WeakPolarHBondContact CA-O 3.35Å; F75-I294 HydrophobicContact CD1-CB 3.58Å; F75-I294 HydrophobicContact CD1-CD1 4.43Å; F75-I294 HydrophobicContact CD1-CG2 3.82Å; F75-I294 HydrophobicContact CE1-CB 3.62Å; F75-I294 HydrophobicContact CE1-CD1 3.59Å; F75-I294 HydrophobicContact CE1-CG1 4.15Å; F75-I294 HydrophobicContact CE1-CG2 3.83Å; F75-I294 HydrophobicContact CZ-CD1 3.98Å; T76-I294 PolarHBondContact N-O 3.19Å; I294-L296 HydrophobicContact CG2-CD2 3.77Å; I294-L296 HydrophobicContact CG2-CG 4.18Å
295R98.6Very high98.2Very high1 Ų125 Ų250%0.00415%0.154CC..EExtended strand (participates in β ladder)trans-85.1130.4173-62.6178.7178.3166.87108.9A63 A64 F281 S284 T287 E291 Y487A63-R295 VanDerWaalsContact CA-O 3.32Å; A63-R295 WeakPolarHBondContact CA-O 3.15Å; A64-R295 HydrophobicContact CB-CB 4.47Å; A64-R295 PolarHBondContact N-O 2.97Å; A64-R295 PolarHBondContact O-N 2.81Å; F281-R295 HydrophobicContact CD2-CB 4.17Å; F281-R295 HydrophobicContact CE2-CB 3.67Å; S284-R295 PolarHBondContact O-NH1 2.76Å; S284-R295 PolarHBondContact OG-NH1 3.03Å; T287-R295 PolarHBondContact OG1-NH1 3.42Å; T287-R295 PolarHBondContact OG1-NH2 2.99Å; E291-R295 HydrophobicContact CG-CG 4.49Å; E291-R295 IonicContact OE2-CZ 3.36Å; E291-R295 IonicContact OE2-NE 3.72Å; E291-R295 PolarHBondContact OE2-NE 3.11Å; E291-R295 IonicContact OE2-NH2 2.8Å; E291-R295 PolarHBondContact OE2-NH2 3.29Å; R295-Y487 HydrophobicContact CB-CD1 3.71Å; R295-Y487 HydrophobicContact CB-CE1 3.94Å; R295-Y487 HydrophobicContact CG-CD1 3.77Å; R295-Y487 HydrophobicContact CG-CE1 4.48Å; R295-Y487 PolarHBondContact NE-O 3.46Å; R295-Y487 VanDerWaalsContact NE-O 3.1Å; R295-Y487 PolarHBondContact NH2-O 2.97Å
296L98.8Very high98Very high0 Ų026 Ų260%017%0.17CC..EExtended strand (participates in β ladder)trans-122.9137.1178.6-64-177.5000111.5I61 A62 A63 F75 T76 L77 L78 I294 I322 L325 Y487I61-L296 HydrophobicContact CG2-CD2 4.45Å; A62-L296 VanDerWaalsContact O-CA 3.32Å; A62-L296 WeakPolarHBondContact O-CA 3.33Å; A63-L296 HydrophobicContact CB-CD2 3.34Å; F75-L296 HydrophobicContact CB-CD1 4.28Å; F75-L296 HydrophobicContact CD1-CD1 3.45Å; F75-L296 VanDerWaalsContact CD1-CD1 3.45Å; F75-L296 HydrophobicContact CD1-CD2 4.43Å; F75-L296 HydrophobicContact CD1-CG 3.82Å; F75-L296 HydrophobicContact CE1-CD1 4.12Å; F75-L296 HydrophobicContact CG-CD1 4.12Å; T76-L296 PolarHBondContact O-N 3.46Å; L77-L296 HydrophobicContact CD2-CD1 3.93Å; L77-L296 HydrophobicContact CG-CB 4.24Å; L77-L296 HydrophobicContact CG-CD1 4.07Å; L78-L296 PolarHBondContact N-O 3.23Å; I294-L296 HydrophobicContact CG2-CD2 3.77Å; I294-L296 HydrophobicContact CG2-CG 4.18Å; L296-I322 HydrophobicContact CD1-CD1 4.34Å; L296-I322 HydrophobicContact CD1-CG1 3.86Å; L296-L325 HydrophobicContact CD2-CD1 3.72Å; L296-Y487 WeakPolarHBondContact O-CE1 3.04Å; L296-Y487 PolarHBondContact O-OH 2.79Å
297L98.9Very high98Very high1 Ų120.9 Ų20.91%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-119.2123.4165.3173.269.6000108.2I61 A62 L78 L278 F281 L299I61-L297 CarbonylContact C-O 3.3Å; I61-L297 WeakPolarHBondContact CA-O 3.16Å; A62-L297 HydrophobicContact CB-CB 4.4Å; A62-L297 PolarHBondContact N-O 2.86Å; A62-L297 PolarHBondContact O-N 2.97Å; L78-L297 HydrophobicContact CB-CD1 4.43Å; L78-L297 HydrophobicContact CD2-CD1 3.69Å; L78-L297 WeakPolarHBondContact O-CA 3.35Å; L278-L297 HydrophobicContact CB-CD2 3.92Å; L278-L297 HydrophobicContact CD1-CD2 3.79Å; L278-L297 HydrophobicContact CG-CD2 4.5Å; F281-L297 HydrophobicContact CB-CB 4.44Å; F281-L297 HydrophobicContact CB-CD2 4.41Å; F281-L297 HydrophobicContact CD1-CB 4.43Å; F281-L297 HydrophobicContact CD1-CD2 4.49Å; F281-L297 HydrophobicContact CD2-CB 4.32Å; F281-L297 HydrophobicContact CG-CB 4.17Å; L297-L299 HydrophobicContact CD1-CD2 3.82Å; L297-L299 HydrophobicContact CD1-CG 4.49Å; L297-L299 HydrophobicContact CG-CD2 4.15Å; L297-L299 HydrophobicContact CG-CG 4.28Å
298C98.8Very high98Very high3 Ų324 Ų242%0.0216%0.156CC..EExtended strand (participates in β ladder)trans-119.5119.5177.6-53.60000109.3V60 I61 L78 G79 A80 F300V60-C298 WeakPolarHBondContact O-CA 3.48Å; I61-C298 HydrophobicContact CG1-CB 4.25Å; L78-C298 PolarHBondContact O-N 3.28Å; G79-C298 CarbonylContact C-O 3.54Å; G79-C298 VanDerWaalsContact CA-O 3.27Å; G79-C298 WeakPolarHBondContact CA-O 3.44Å; A80-C298 PolarHBondContact N-O 3.35Å; C298-F300 HydrophobicContact CB-CD2 4.25Å; C298-F300 HydrophobicContact CB-CE1 4.14Å; C298-F300 HydrophobicContact CB-CE2 3.4Å; C298-F300 HydrophobicContact CB-CZ 3.35Å
299L98.9Very high97.9Very high0 Ų025.3 Ų25.30%017%0.165CC..EExtended strand (participates in β ladder)trans-113.1106.7173.9-50-178.8000108V25 T59 V60 A80 T82 L297V25-L299 HydrophobicContact CG2-CD1 3.93Å; T59-L299 WeakPolarHBondContact CA-O 3.22Å; T59-L299 WeakPolarHBondContact CG2-O 3.21Å; V60-L299 HydrophobicContact CG1-CB 3.95Å; V60-L299 HydrophobicContact CG1-CD1 4.01Å; V60-L299 HydrophobicContact CG1-CG 4.05Å; V60-L299 PolarHBondContact N-O 2.74Å; V60-L299 PolarHBondContact O-N 2.94Å; A80-L299 HydrophobicContact CB-CD2 3.89Å; A80-L299 WeakPolarHBondContact O-CA 3.47Å; T82-L299 HydrophobicContact CG2-CB 3.59Å; L297-L299 HydrophobicContact CD1-CD2 3.82Å; L297-L299 HydrophobicContact CD1-CG 4.49Å; L297-L299 HydrophobicContact CG-CD2 4.15Å; L297-L299 HydrophobicContact CG-CG 4.28Å
300F98.8Very high97.8Very high1 Ų126.1 Ų26.10%0.00417%0.166CC..EExtended strand (participates in β ladder)trans-91.4151-173.9-59.8-74.6000111.9T59 A80 H81 T82 C298 A313 T318 I442 L446T59-F300 HydrophobicContact CG2-CD1 3.98Å; T59-F300 WeakPolarHBondContact OG1-CA 3.24Å; A80-F300 WeakPolarHBondContact O-CD2 3.11Å; A80-F300 PolarHBondContact O-N 3.13Å; H81-F300 CarbonylContact C-O 3.58Å; H81-F300 WeakPolarHBondContact CA-O 3.06Å; H81-F300 WeakPolarHBondContact CB-O 3.44Å; T82-F300 PolarHBondContact N-O 3.42Å; T82-F300 PolarHBondContact OG1-O 3.32Å; C298-F300 HydrophobicContact CB-CD2 4.25Å; C298-F300 HydrophobicContact CB-CE1 4.14Å; C298-F300 HydrophobicContact CB-CE2 3.4Å; C298-F300 HydrophobicContact CB-CZ 3.35Å; F300-A313 HydrophobicContact CB-CB 4.22Å; F300-A313 HydrophobicContact CD1-CB 4.14Å; F300-A313 HydrophobicContact CD2-CB 3.77Å; F300-A313 HydrophobicContact CE1-CB 4.47Å; F300-A313 HydrophobicContact CE2-CB 4.13Å; F300-A313 HydrophobicContact CG-CB 3.77Å; F300-A313 HydrophobicContact CZ-CB 4.45Å; F300-T318 VanDerWaalsContact CE1-OG1 3.26Å; F300-T318 WeakPolarHBondContact CE1-OG1 3.45Å; F300-T318 HydrophobicContact CZ-CG2 4.45Å; F300-T318 WeakPolarHBondContact CZ-OG1 3.49Å; F300-I442 HydrophobicContact CD2-CD1 3.88Å; F300-I442 HydrophobicContact CE2-CD1 4.12Å; F300-L446 HydrophobicContact CE2-CD1 3.66Å; F300-L446 HydrophobicContact CE2-CD2 4.44Å; F300-L446 HydrophobicContact CZ-CD1 4.09Å; F300-L446 HydrophobicContact CZ-CD2 4.07Å
301D98.6Very high97.8Very high0 Ų024.1 Ų24.10%015%0.151CC..SBendtrans-96.8170.3166.1-174.117000108.8S58 T59 D83 E303 Q311 G312S58-D301 WeakPolarHBondContact CB-OD2 3.35Å; S58-D301 PolarHBondContact OG-OD2 3.38Å; T59-D301 PolarHBondContact OG1-N 3.06Å; D83-D301 WeakPolarHBondContact CB-OD1 3.12Å; D301-E303 VanDerWaalsContact C-N 3.25Å; D301-E303 PolarHBondContact O-N 3.38Å; D301-Q311 HydrophobicContact CB-CG 3.81Å; D301-G312 WeakPolarHBondContact O-CA 3.34Å
302H98.3Very high97.8Very high32 Ų3224 Ų2415%0.14815%0.151CC..  trans63.921.1175.2-62.2-178.3000116.1D83 Y108 E304 V305 G306 S307 S309 Q311D83-H302 VanDerWaalsContact CG-N 3.28Å; D83-H302 PolarHBondContact OD1-N 2.82Å; D83-H302 WeakPolarHBondContact OD2-CA 2.98Å; D83-H302 PolarHBondContact OD2-N 2.96Å; Y108-H302 VanDerWaalsContact OH-CA 3.31Å; Y108-H302 WeakPolarHBondContact OH-CA 3.32Å; Y108-H302 PolarHBondContact OH-CD2 2.87Å; H302-E304 VanDerWaalsContact C-N 3.31Å; H302-V305 HydrophobicContact CB-CG2 3.68Å; H302-V305 WeakPolarHBondContact O-CG2 3.43Å; H302-V305 PolarHBondContact O-N 3.07Å; H302-G306 PolarHBondContact O-N 3.29Å; H302-S307 WeakPolarHBondContact O-CA 3.41Å; H302-S307 PolarHBondContact O-N 3.45Å; H302-S309 VanDerWaalsContact ND1-CB 3.27Å; H302-S309 WeakPolarHBondContact ND1-CB 3.48Å; H302-S309 PolarHBondContact ND1-OG 2.73Å; H302-Q311 PolarHBondContact CE1-NE2 3.49Å; H302-Q311 PolarHBondContact ND1-NE2 3.49Å; H302-Q311 PolarHBondContact NE2-NE2 3.48Å
303E98.3Very high97.9Very high22 Ų2222 Ų2210%0.10314%0.137CC..G310 helixtrans-61.1-46174.6-156.6-77.2166.300110.9H81 D83 D301 V305 G306 S307 T441 I442H81-E303 HydrophobicContact CB-CB 3.48Å; H81-E303 VanDerWaalsContact CB-CB 3.48Å; H81-E303 HydrophobicContact CB-CG 3.98Å; H81-E303 VanDerWaalsContact CD2-CG 3.46Å; H81-E303 WeakPolarHBondContact CD2-CG 3.31Å; H81-E303 IonicContact CE1-OE2 3.43Å; H81-E303 IonicContact NE2-OE2 2.82Å; D83-E303 PolarHBondContact OD1-N 3.5Å; D83-E303 PolarHBondContact OD2-N 3.39Å; D301-E303 VanDerWaalsContact C-N 3.25Å; D301-E303 PolarHBondContact O-N 3.38Å; E303-V305 PolarHBondContact O-N 3.25Å; E303-G306 PolarHBondContact O-N 3.36Å; E303-S307 WeakPolarHBondContact CA-OG 3.21Å; E303-T441 WeakPolarHBondContact OE1-CA 3.32Å; E303-I442 HydrophobicContact CB-CG2 4.46Å; E303-I442 HydrophobicContact CG-CG2 3.4Å
304E97.7Very high97.9Very high26 Ų2623.7 Ų23.712%0.12115%0.146CC..G310 helixtrans-66.1-12.9-174.1-66-69.9-179.700113.7H81 D83 P85 Y108 G109 H302 H465H81-E304 IonicContact CE1-OE1 2.87Å; D83-E304 VanDerWaalsContact OD2-CB 3.29Å; D83-E304 WeakPolarHBondContact OD2-CB 3.21Å; D83-E304 WeakPolarHBondContact OD2-CG 3.26Å; D83-E304 PolarHBondContact OD2-N 3.23Å; P85-E304 WeakPolarHBondContact CD-OE1 3.39Å; P85-E304 HydrophobicContact CG-CG 4.38Å; Y108-E304 HydrophobicContact CE1-CB 4Å; G109-E304 WeakPolarHBondContact CA-O 3.09Å; H302-E304 VanDerWaalsContact C-N 3.31Å; E304-H465 IonicContact OE1-NE2 3.7Å; E304-H465 PolarHBondContact OE1-NE2 3.48Å; E304-H465 IonicContact OE2-CE1 2.76Å; E304-H465 PolarHBondContact OE2-CE1 3.14Å; E304-H465 IonicContact OE2-NE2 3.75Å; E304-H465 PolarHBondContact OE2-NE2 3.48Å
305V97.4Very high97.8Very high76 Ų7624.2 Ų24.246%0.46115%0.15SC..G310 helixtrans-11616.7178.1-620000112.6Y108 H302 E303Y108-V305 HydrophobicContact CD2-CG1 3.75Å; Y108-V305 HydrophobicContact CE1-CG1 4.36Å; Y108-V305 HydrophobicContact CE2-CB 4.39Å; Y108-V305 HydrophobicContact CE2-CG1 3.44Å; Y108-V305 VanDerWaalsContact CE2-CG1 3.44Å; Y108-V305 HydrophobicContact CE2-CG2 4Å; Y108-V305 HydrophobicContact CG-CG1 4.36Å; H302-V305 HydrophobicContact CB-CG2 3.68Å; H302-V305 WeakPolarHBondContact O-CG2 3.43Å; H302-V305 PolarHBondContact O-N 3.07Å; E303-V305 PolarHBondContact O-N 3.25Å
306G96.1Very high97.6Very high41 Ų4126.8 Ų26.842%0.42318%0.176SC..THydrogen-bonded Turntrans99.77.4170.500000115.6H302 E303 T308H302-G306 PolarHBondContact O-N 3.29Å; E303-G306 PolarHBondContact O-N 3.36Å; G306-T308 PolarHBondContact O-N 3.47Å; G306-T308 PolarHBondContact O-OG1 2.9Å
307S97.8Very high97.5Very high1 Ų127.8 Ų27.81%0.00718%0.18CC..SBendtrans63.4-4.3176-62.50000117.5H302 E303 S309 G312 D314H302-S307 WeakPolarHBondContact O-CA 3.41Å; H302-S307 PolarHBondContact O-N 3.45Å; E303-S307 WeakPolarHBondContact CA-OG 3.21Å; S307-S309 PolarHBondContact O-N 3.15Å; S307-G312 CarbonylContact O-C 3.59Å; S307-G312 VanDerWaalsContact O-CA 3.24Å; S307-G312 WeakPolarHBondContact O-CA 3.44Å; S307-D314 PolarHBondContact O-N 3.3Å
308T97.1Very high97.4Very high109 Ų10927.8 Ų27.867%0.66918%0.181SC*.  trans-79.581-179.7-48.50000111.1G306 D314G306-T308 PolarHBondContact O-N 3.47Å; G306-T308 PolarHBondContact O-OG1 2.9Å; T308-D314 PolarHBondContact OG1-OD2 3.36Å
309S97.4Very high97.2Very high31 Ų3130 Ų3022%0.21719%0.192CC..SBendtrans-156.3177175.371.80000111.4H302 S307 Q311 G312 S315H302-S309 VanDerWaalsContact ND1-CB 3.27Å; H302-S309 WeakPolarHBondContact ND1-CB 3.48Å; H302-S309 PolarHBondContact ND1-OG 2.73Å; S307-S309 PolarHBondContact O-N 3.15Å; S309-Q311 VanDerWaalsContact C-N 3.25Å; S309-Q311 PolarHBondContact O-N 3.4Å; S309-G312 PolarHBondContact O-N 3.29Å; S309-G312 PolarHBondContact OG-N 3.47Å; S309-S315 WeakPolarHBondContact O-CB 3.48Å
310T96.2Very high97.1Very high95 Ų9532.8 Ų32.858%0.58321%0.212SC*.SBendtrans-64.5-25.4179.337.60000115
311Q97Very high97Very high12 Ų1232.9 Ų32.96%0.05621%0.212CC..SBendtrans-110.7-7.6-179.363.2-87.813.300112.5K55 N56 T59 D301 H302 S309K55-Q311 HydrophobicContact CB-CB 4.3Å; K55-Q311 HydrophobicContact CG-CB 3.99Å; N56-Q311 HydrophobicContact CB-CB 4.34Å; N56-Q311 HydrophobicContact CB-CG 4.42Å; N56-Q311 PolarHBondContact ND2-NE2 2.93Å; T59-Q311 WeakPolarHBondContact OG1-CB 3.36Å; T59-Q311 PolarHBondContact OG1-O 3.45Å; D301-Q311 HydrophobicContact CB-CG 3.81Å; H302-Q311 PolarHBondContact CE1-NE2 3.49Å; H302-Q311 PolarHBondContact ND1-NE2 3.49Å; H302-Q311 PolarHBondContact NE2-NE2 3.48Å; S309-Q311 VanDerWaalsContact C-N 3.25Å; S309-Q311 PolarHBondContact O-N 3.4Å
312G98Very high96.9Very high0 Ų033 Ų330%021%0.213CC..SBendtrans-79165.1177.400000113.5D301 S307 S309 D314 S315D301-G312 WeakPolarHBondContact O-CA 3.34Å; S307-G312 CarbonylContact O-C 3.59Å; S307-G312 VanDerWaalsContact O-CA 3.24Å; S307-G312 WeakPolarHBondContact O-CA 3.44Å; S309-G312 PolarHBondContact O-N 3.29Å; S309-G312 PolarHBondContact OG-N 3.47Å; G312-D314 VanDerWaalsContact C-N 3.29Å; G312-D314 PolarHBondContact O-N 3.05Å; G312-S315 WeakPolarHBondContact O-CB 3.23Å; G312-S315 PolarHBondContact O-OG 2.84Å
313A97.8Very high96.8Very high0 Ų035.1 Ų35.10%022%0.219CC..SBendtrans-68-26.5-176.600000113.6F300 S315 I442 L446F300-A313 HydrophobicContact CB-CB 4.22Å; F300-A313 HydrophobicContact CD1-CB 4.14Å; F300-A313 HydrophobicContact CD2-CB 3.77Å; F300-A313 HydrophobicContact CE1-CB 4.47Å; F300-A313 HydrophobicContact CE2-CB 4.13Å; F300-A313 HydrophobicContact CG-CB 3.77Å; F300-A313 HydrophobicContact CZ-CB 4.45Å; A313-S315 PolarHBondContact O-N 3.11Å; A313-S315 VanDerWaalsContact O-N 3.11Å; A313-I442 HydrophobicContact CB-CB 3.64Å; A313-I442 HydrophobicContact CB-CG2 3.43Å; A313-I442 VanDerWaalsContact CB-CG2 3.43Å; A313-L446 HydrophobicContact CB-CD1 4.22Å; A313-L446 HydrophobicContact CB-CD2 4.26Å; A313-L446 HydrophobicContact CB-CG 4.05Å; A313-L446 WeakPolarHBondContact O-CD2 3.16Å
314D97.1Very high96.7Very high46 Ų4637.3 Ų37.325%0.24623%0.227CC..SBendtrans-87.952.2175.8-173.737.6000110.5S307 T308 G312 L445 Q449S307-D314 PolarHBondContact O-N 3.3Å; T308-D314 PolarHBondContact OG1-OD2 3.36Å; G312-D314 VanDerWaalsContact C-N 3.29Å; G312-D314 PolarHBondContact O-N 3.05Å; D314-L445 HydrophobicContact CB-CB 4.17Å; D314-L445 HydrophobicContact CB-CD1 4.09Å; D314-L445 HydrophobicContact CB-CD2 4.48Å; D314-L445 HydrophobicContact CB-CG 4.47Å; D314-Q449 PolarHBondContact O-NE2 2.79Å; D314-Q449 PolarHBondContact OD1-NE2 2.99Å
315S95.5Very high96.7Very high12 Ų1236.2 Ų36.28%0.08422%0.222CC..SBendtrans-134.6151-178.279.30000111.7S309 G312 A313 Y317 Q449S309-S315 WeakPolarHBondContact O-CB 3.48Å; G312-S315 WeakPolarHBondContact O-CB 3.23Å; G312-S315 PolarHBondContact O-OG 2.84Å; A313-S315 PolarHBondContact O-N 3.11Å; A313-S315 VanDerWaalsContact O-N 3.11Å; S315-Y317 PolarHBondContact O-N 2.86Å; S315-Y317 VanDerWaalsContact OG-CB 3.31Å; S315-Y317 WeakPolarHBondContact OG-CB 3.41Å; S315-Y317 PolarHBondContact OG-N 3.46Å; S315-Q449 PolarHBondContact O-OE1 2.86Å
316G94.6Very high96.5Very high54 Ų5432.7 Ų32.756%0.55720%0.2SC*.Hα-helixtrans-65.4-0.8173.800000114.4S320G316-S320 WeakPolarHBondContact O-CB 3.41Å; G316-S320 PolarHBondContact O-N 3.46Å
317Y96.2Very high96.4Very high21 Ų2134.1 Ų34.18%0.08220%0.195CC..Hα-helixtrans-67.3-48-174.4-173.5-114.6000112.2E39 I53 T54 K55 I61 S315 L319 S320 V321E39-Y317 HydrophobicContact CG-CE2 4.47Å; E39-Y317 VanDerWaalsContact OE2-CE2 3.28Å; E39-Y317 WeakPolarHBondContact OE2-CE2 3.26Å; I53-Y317 WeakPolarHBondContact CG1-OH 3.27Å; T54-Y317 PolarHBondContact O-OH 3.25Å; K55-Y317 HydrophobicContact CB-CD1 4.27Å; K55-Y317 HydrophobicContact CB-CE1 3.7Å; K55-Y317 HydrophobicContact CD-CD2 4.25Å; K55-Y317 HydrophobicContact CD-CE1 4.42Å; K55-Y317 HydrophobicContact CD-CE2 3.85Å; K55-Y317 HydrophobicContact CG-CD1 4.4Å; K55-Y317 HydrophobicContact CG-CE1 4.19Å; K55-Y317 HydrophobicContact CG-CE2 4.44Å; I61-Y317 HydrophobicContact CD1-CD1 4.11Å; I61-Y317 HydrophobicContact CD1-CE1 4.01Å; S315-Y317 PolarHBondContact O-N 2.86Å; S315-Y317 VanDerWaalsContact OG-CB 3.31Å; S315-Y317 WeakPolarHBondContact OG-CB 3.41Å; S315-Y317 PolarHBondContact OG-N 3.46Å; Y317-L319 VanDerWaalsContact C-N 3.35Å; Y317-L319 PolarHBondContact O-N 2.8Å; Y317-S320 WeakPolarHBondContact O-CB 3.42Å; Y317-S320 PolarHBondContact O-N 3.22Å; Y317-S320 VanDerWaalsContact O-N 3.1Å; Y317-V321 HydrophobicContact CD1-CG2 4.29Å; Y317-V321 HydrophobicContact CD2-CG2 4.32Å; Y317-V321 HydrophobicContact CE1-CG2 3.88Å; Y317-V321 HydrophobicContact CE2-CG2 3.91Å; Y317-V321 HydrophobicContact CG-CG2 4.49Å; Y317-V321 WeakPolarHBondContact O-CG2 3.33Å; Y317-V321 PolarHBondContact O-N 2.98Å
318T97Very high96.3Very high2 Ų234.3 Ų34.31%0.01220%0.197CC..Hα-helixtrans-58.5-47179.5-54.10000111.4F300 S320 V321 I322 L446 L450F300-T318 VanDerWaalsContact CE1-OG1 3.26Å; F300-T318 WeakPolarHBondContact CE1-OG1 3.45Å; F300-T318 HydrophobicContact CZ-CG2 4.45Å; F300-T318 WeakPolarHBondContact CZ-OG1 3.49Å; T318-S320 VanDerWaalsContact C-N 3.31Å; T318-S320 PolarHBondContact O-N 3.22Å; T318-V321 PolarHBondContact O-N 2.87Å; T318-I322 HydrophobicContact CG2-CD1 3.94Å; T318-I322 VanDerWaalsContact O-CG1 3.29Å; T318-I322 WeakPolarHBondContact O-CG1 3.32Å; T318-I322 PolarHBondContact O-N 3.46Å; T318-L446 HydrophobicContact CG2-CD2 4.31Å; T318-L450 HydrophobicContact CG2-CD1 4.25Å; T318-L450 HydrophobicContact CG2-CD2 4.39Å
319L95.9Very high96.2Very high49 Ų4929.2 Ų29.226%0.25717%0.165SC..Hα-helixtrans-60.8-41.4176.8-17273.1000111.6Y317 R323 F358 L362 L450Y317-L319 VanDerWaalsContact C-N 3.35Å; Y317-L319 PolarHBondContact O-N 2.8Å; L319-R323 WeakPolarHBondContact O-CB 3.4Å; L319-R323 PolarHBondContact O-N 3.35Å; L319-F358 HydrophobicContact CD1-CE1 4.28Å; L319-F358 HydrophobicContact CD1-CZ 3.6Å; L319-F358 HydrophobicContact CG-CZ 4.17Å; L319-L362 HydrophobicContact CD1-CD1 4.17Å; L319-L450 HydrophobicContact CB-CD2 4.03Å; L319-L450 HydrophobicContact CD1-CD2 3.71Å
320S95.9Very high95.9Very high59 Ų5928.4 Ų28.441%0.41316%0.158SC..Hα-helixtrans-62.3-46.7176.3-175.60000111.8G316 Y317 T318 R323 R324G316-S320 WeakPolarHBondContact O-CB 3.41Å; G316-S320 PolarHBondContact O-N 3.46Å; Y317-S320 WeakPolarHBondContact O-CB 3.42Å; Y317-S320 PolarHBondContact O-N 3.22Å; Y317-S320 VanDerWaalsContact O-N 3.1Å; T318-S320 VanDerWaalsContact C-N 3.31Å; T318-S320 PolarHBondContact O-N 3.22Å; S320-R323 PolarHBondContact O-N 2.83Å; S320-R324 WeakPolarHBondContact O-CG 3.17Å; S320-R324 PolarHBondContact O-N 2.92Å
321V97.5Very high95.5Very high3 Ų329.8 Ų29.82%0.01816%0.159CC..Hα-helixtrans-62.9-49.6178.3172.30000110.7I53 I61 Y317 T318 R323 R324 L325I53-V321 HydrophobicContact CG2-CG1 4.12Å; I53-V321 HydrophobicContact CG2-CG2 4.23Å; I61-V321 HydrophobicContact CB-CG1 4.43Å; I61-V321 HydrophobicContact CD1-CB 4.08Å; I61-V321 HydrophobicContact CD1-CG1 4.16Å; I61-V321 HydrophobicContact CD1-CG2 4.09Å; I61-V321 HydrophobicContact CG2-CG1 4.02Å; Y317-V321 HydrophobicContact CD1-CG2 4.29Å; Y317-V321 HydrophobicContact CD2-CG2 4.32Å; Y317-V321 HydrophobicContact CE1-CG2 3.88Å; Y317-V321 HydrophobicContact CE2-CG2 3.91Å; Y317-V321 HydrophobicContact CG-CG2 4.49Å; Y317-V321 WeakPolarHBondContact O-CG2 3.33Å; Y317-V321 PolarHBondContact O-N 2.98Å; T318-V321 PolarHBondContact O-N 2.87Å; V321-R323 VanDerWaalsContact C-N 3.26Å; V321-R323 PolarHBondContact O-N 2.95Å; V321-R324 PolarHBondContact O-N 3.16Å; V321-R324 VanDerWaalsContact O-N 3.08Å; V321-L325 HydrophobicContact CG1-CD1 4.14Å; V321-L325 HydrophobicContact CG1-CG 4.26Å; V321-L325 WeakPolarHBondContact O-CG 3.43Å; V321-L325 PolarHBondContact O-N 3.21Å
322I97.1Very high95Very high2 Ų229.9 Ų29.91%0.0116%0.161CC..Hα-helixtrans-56.5-43.5176.5-66.3169.7000110.7F75 L77 L296 T318 L325 N326 F358 L362 L450F75-I322 HydrophobicContact CD2-CG2 3.89Å; F75-I322 HydrophobicContact CE1-CG2 4.16Å; F75-I322 HydrophobicContact CE2-CG2 3.46Å; F75-I322 VanDerWaalsContact CE2-CG2 3.46Å; F75-I322 HydrophobicContact CG-CG2 4.44Å; F75-I322 HydrophobicContact CZ-CG2 3.63Å; L77-I322 HydrophobicContact CD2-CD1 3.81Å; L296-I322 HydrophobicContact CD1-CD1 4.34Å; L296-I322 HydrophobicContact CD1-CG1 3.86Å; T318-I322 HydrophobicContact CG2-CD1 3.94Å; T318-I322 VanDerWaalsContact O-CG1 3.29Å; T318-I322 WeakPolarHBondContact O-CG1 3.32Å; T318-I322 PolarHBondContact O-N 3.46Å; I322-L325 PolarHBondContact O-N 3.29Å; I322-N326 PolarHBondContact O-N 2.89Å; I322-N326 VanDerWaalsContact O-N 3.11Å; I322-N326 PolarHBondContact O-ND2 3.38Å; I322-F358 HydrophobicContact CB-CE2 4.35Å; I322-F358 HydrophobicContact CG2-CD2 4.48Å; I322-F358 HydrophobicContact CG2-CE2 3.83Å; I322-L362 HydrophobicContact CG2-CD2 4.19Å; I322-L450 HydrophobicContact CD1-CD1 4.25Å; I322-L450 HydrophobicContact CD1-CD2 4Å
323R95.7Very high94Very high77 Ų7732.5 Ų32.529%0.29118%0.175SC..Hα-helixtrans-61.6-47.1177-170.3177.3-67.6-115.76.9110.8L319 S320 V321 L325 N326 K327 D355 F358L319-R323 WeakPolarHBondContact O-CB 3.4Å; L319-R323 PolarHBondContact O-N 3.35Å; S320-R323 PolarHBondContact O-N 2.83Å; V321-R323 VanDerWaalsContact C-N 3.26Å; V321-R323 PolarHBondContact O-N 2.95Å; R323-L325 PolarHBondContact O-N 3.48Å; R323-N326 PolarHBondContact O-N 2.97Å; R323-K327 VanDerWaalsContact O-CG 3.32Å; R323-K327 WeakPolarHBondContact O-CG 3.22Å; R323-K327 PolarHBondContact O-N 3.04Å; R323-D355 IonicContact NH1-OD1 3.38Å; R323-D355 PolarHBondContact NH1-OD1 3.24Å; R323-F358 VanDerWaalsContact CA-CE2 3.42Å; R323-F358 HydrophobicContact CB-CD2 3.88Å; R323-F358 HydrophobicContact CB-CE2 3.54Å; R323-F358 HydrophobicContact CB-CZ 3.98Å; R323-F358 HydrophobicContact CG-CD2 4Å; R323-F358 HydrophobicContact CG-CE2 4.09Å; R323-F358 HydrophobicContact CG-CG 4.24Å; R323-F358 HydrophobicContact CG-CZ 4.42Å; R323-F358 VanDerWaalsContact CZ-CE1 3.48Å
324R95.9Very high93Very high67 Ų6735.4 Ų35.425%0.25319%0.191SC..Hα-helixtrans-63.8-37.7178.4-72.6179.369.9168.88.5112.9E39 E41 W43 S320 V321 K327 A328E39-R324 VanDerWaalsContact O-CZ 3.23Å; E39-R324 PolarHBondContact O-NH1 3.12Å; E39-R324 PolarHBondContact O-NH2 2.78Å; E41-R324 PolarHBondContact O-NH2 2.78Å; W43-R324 HydrophobicContact CE3-CB 3.6Å; W43-R324 HydrophobicContact CH2-CB 4.02Å; W43-R324 VanDerWaalsContact CZ2-NH1 3.35Å; W43-R324 VanDerWaalsContact CZ2-NH2 3.3Å; W43-R324 HydrophobicContact CZ3-CB 3.26Å; W43-R324 HydrophobicContact CZ3-CG 4.19Å; S320-R324 WeakPolarHBondContact O-CG 3.17Å; S320-R324 PolarHBondContact O-N 2.92Å; V321-R324 PolarHBondContact O-N 3.16Å; V321-R324 VanDerWaalsContact O-N 3.08Å; R324-K327 PolarHBondContact O-N 3.49Å; R324-A328 VanDerWaalsContact O-CB 3.22Å; R324-A328 WeakPolarHBondContact O-CB 3.23Å; R324-A328 PolarHBondContact O-N 2.84Å
325L96.7Very high91.4Very high3 Ų337.2 Ų37.22%0.01621%0.206CC..Hα-helixtrans-60.1-46.7174.2-67.7174.9000111.2W43 L45 V51 A63 F75 L296 V321 I322 R323 K327 A328 F329W43-L325 HydrophobicContact CZ3-CD2 4.43Å; L45-L325 HydrophobicContact CD1-CB 4.27Å; L45-L325 HydrophobicContact CD1-CD2 3.56Å; V51-L325 HydrophobicContact CG2-CD2 4.23Å; A63-L325 HydrophobicContact CB-CD1 3.92Å; A63-L325 HydrophobicContact CB-CD2 4.27Å; F75-L325 HydrophobicContact CE1-CD1 4.38Å; L296-L325 HydrophobicContact CD2-CD1 3.72Å; V321-L325 HydrophobicContact CG1-CD1 4.14Å; V321-L325 HydrophobicContact CG1-CG 4.26Å; V321-L325 WeakPolarHBondContact O-CG 3.43Å; V321-L325 PolarHBondContact O-N 3.21Å; I322-L325 PolarHBondContact O-N 3.29Å; R323-L325 PolarHBondContact O-N 3.48Å; L325-K327 PolarHBondContact O-N 3.47Å; L325-A328 PolarHBondContact O-N 2.87Å; L325-F329 PolarHBondContact O-N 3.41Å; L325-F329 VanDerWaalsContact O-N 3.14Å
326N94.5Very high89.7Confident3 Ų342.2 Ų42.22%0.01623%0.229CC..Hα-helixtrans-59-47.7174.3-77.1-85.4000111.4F75 I322 R323 F329 E330 S361F75-N326 WeakPolarHBondContact CE2-ND2 3.23Å; F75-N326 WeakPolarHBondContact CZ-ND2 3.39Å; I322-N326 PolarHBondContact O-N 2.89Å; I322-N326 VanDerWaalsContact O-N 3.11Å; I322-N326 PolarHBondContact O-ND2 3.38Å; R323-N326 PolarHBondContact O-N 2.97Å; N326-F329 PolarHBondContact O-N 3.48Å; N326-E330 PolarHBondContact O-N 3.46Å; N326-S361 PolarHBondContact OD1-OG 2.94Å
327K93.8Very high87.8Confident70 Ų7044.3 Ų44.330%0.30423%0.231SC..Hα-helixtrans-62.8-44.4-179-63.9-164.1171.2-1790112.8R323 R324 L325 F329 E330 M331 L354R323-K327 VanDerWaalsContact O-CG 3.32Å; R323-K327 WeakPolarHBondContact O-CG 3.22Å; R323-K327 PolarHBondContact O-N 3.04Å; R324-K327 PolarHBondContact O-N 3.49Å; L325-K327 PolarHBondContact O-N 3.47Å; K327-F329 VanDerWaalsContact C-N 3.29Å; K327-F329 PolarHBondContact O-N 3.43Å; K327-E330 PolarHBondContact O-N 3.36Å; K327-M331 WeakPolarHBondContact O-CB 3.19Å; K327-M331 VanDerWaalsContact O-CG 3.29Å; K327-M331 WeakPolarHBondContact O-CG 3.39Å; K327-M331 PolarHBondContact O-N 3.04Å; K327-L354 HydrophobicContact CB-CD1 4.42Å; K327-L354 HydrophobicContact CB-CD2 4.37Å; K327-L354 HydrophobicContact CD-CD2 3.74Å; K327-L354 HydrophobicContact CD-CG 4.35Å; K327-L354 HydrophobicContact CG-CD1 3.91Å; K327-L354 HydrophobicContact CG-CD2 3.68Å; K327-L354 HydrophobicContact CG-CG 3.92Å
328A94.9Very high85.5Confident6 Ų649.6 Ų49.65%0.0526%0.26CS..Hα-helixtrans-61.7-37.7179.400000112.1W43 L45 R324 L325 C332W43-A328 HydrophobicContact CB-CB 3.7Å; W43-A328 WeakPolarHBondContact O-CB 3.36Å; L45-A328 HydrophobicContact CB-CB 4.31Å; L45-A328 HydrophobicContact CD1-CB 3.9Å; L45-A328 HydrophobicContact CG-CB 3.93Å; L45-A328 PolarHBondContact N-O 3.4Å; R324-A328 VanDerWaalsContact O-CB 3.22Å; R324-A328 WeakPolarHBondContact O-CB 3.23Å; R324-A328 PolarHBondContact O-N 2.84Å; L325-A328 PolarHBondContact O-N 2.87Å; A328-C332 PolarHBondContact O-SG 3.25Å
329F95.1Very high82.7Confident2 Ų254.6 Ų54.61%0.00929%0.29CS..Hα-helixtrans-71.7-49.5175.7-172.6-92.7000112.3L45 P47 V65 F69 L325 N326 K327 M331 C332 N333L45-F329 HydrophobicContact CB-CB 4.25Å; L45-F329 HydrophobicContact CB-CD2 4.36Å; P47-F329 HydrophobicContact CG-CE2 3.89Å; P47-F329 HydrophobicContact CG-CZ 4.01Å; V65-F329 HydrophobicContact CG1-CD2 3.95Å; V65-F329 HydrophobicContact CG1-CE2 3.78Å; F69-F329 HydrophobicContact CB-CZ 4.46Å; F69-F329 AromaticContact CD1-CD1 3.65Å; F69-F329 HydrophobicContact CD1-CD1 3.65Å; F69-F329 AromaticContact CD1-CD2 3.9Å; F69-F329 HydrophobicContact CD1-CD2 3.9Å; F69-F329 AromaticContact CD1-CE1 3.5Å; F69-F329 HydrophobicContact CD1-CE1 3.5Å; F69-F329 VanDerWaalsContact CD1-CE1 3.5Å; F69-F329 AromaticContact CD1-CE2 3.76Å; F69-F329 HydrophobicContact CD1-CE2 3.76Å; F69-F329 AromaticContact CD1-CG 3.85Å; F69-F329 HydrophobicContact CD1-CG 3.85Å; F69-F329 AromaticContact CD1-CZ 3.58Å; F69-F329 HydrophobicContact CD1-CZ 3.58Å; F69-F329 HydrophobicContact CE1-CB 4.33Å; F69-F329 AromaticContact CE1-CD1 3.58Å; F69-F329 HydrophobicContact CE1-CD1 3.58Å; F69-F329 HydrophobicContact CE1-CD2 4.28Å; F69-F329 AromaticContact CE1-CE1 3.88Å; F69-F329 HydrophobicContact CE1-CE1 3.88Å; F69-F329 AromaticContact CE1-CG 3.8Å; F69-F329 HydrophobicContact CE1-CG 3.8Å; F69-F329 HydrophobicContact CE1-CZ 4.37Å; F69-F329 HydrophobicContact CG-CZ 4.49Å; F69-F329 WeakPolarHBondContact O-CZ 3.38Å; L325-F329 PolarHBondContact O-N 3.41Å; L325-F329 VanDerWaalsContact O-N 3.14Å; N326-F329 PolarHBondContact O-N 3.48Å; K327-F329 VanDerWaalsContact C-N 3.29Å; K327-F329 PolarHBondContact O-N 3.43Å; F329-M331 PolarHBondContact O-N 2.85Å; F329-C332 PolarHBondContact O-N 2.9Å; F329-N333 WeakPolarHBondContact CD1-ND2 3.47Å; F329-N333 WeakPolarHBondContact CE1-ND2 3.33Å; F329-N333 PolarHBondContact O-N 2.97Å
330E91.4Very high80.1Confident13 Ų1358.8 Ų58.86%0.06132%0.32CS..Hα-helixtrans-63.6-40.5-176.9-174170.116600112.4T71 N326 K327 C332 N333 L334 L354 H357T71-E330 HydrophobicContact CG2-CB 4.15Å; T71-E330 HydrophobicContact CG2-CG 3.95Å; T71-E330 WeakPolarHBondContact CG2-OE2 3.44Å; N326-E330 PolarHBondContact O-N 3.46Å; K327-E330 PolarHBondContact O-N 3.36Å; E330-C332 VanDerWaalsContact C-N 3.32Å; E330-C332 PolarHBondContact O-N 3.07Å; E330-N333 PolarHBondContact O-N 3.1Å; E330-L334 HydrophobicContact CG-CD1 4.23Å; E330-L334 WeakPolarHBondContact O-CG 3.27Å; E330-L334 PolarHBondContact O-N 3.03Å; E330-L334 VanDerWaalsContact O-N 3.08Å; E330-L354 HydrophobicContact CB-CD1 3.98Å; E330-L354 VanDerWaalsContact CD-CD1 3.45Å; E330-L354 HydrophobicContact CG-CD1 4.15Å; E330-L354 WeakPolarHBondContact OE2-CD1 3.36Å; E330-H357 IonicContact OE1-CE1 3.33Å; E330-H357 IonicContact OE1-ND1 2.97Å; E330-H357 PolarHBondContact OE1-ND1 3.23Å; E330-H357 IonicContact OE2-CG 3.19Å; E330-H357 IonicContact OE2-ND1 3.65Å; E330-H357 PolarHBondContact OE2-ND1 2.98Å
331M87.8Confident77.3Confident125 Ų12560.8 Ų60.862%0.61633%0.334SS*.Hα-helixtrans-64.5-34.4179.2-74.3-175.6136.900113K327 F329 S335K327-M331 WeakPolarHBondContact O-CB 3.19Å; K327-M331 VanDerWaalsContact O-CG 3.29Å; K327-M331 WeakPolarHBondContact O-CG 3.39Å; K327-M331 PolarHBondContact O-N 3.04Å; F329-M331 PolarHBondContact O-N 2.85Å; M331-S335 PolarHBondContact O-N 2.9Å
332C86.4Confident74.5Confident14 Ų1468.7 Ų68.710%0.09538%0.375CS..Hα-helixtrans-67.1-44.2175.6-69.20000111.8S44 A328 F329 E330 L334 S335S44-C332 VanDerWaalsContact CB-SG 3.54Å; S44-C332 PolarHBondContact OG-SG 3.23Å; A328-C332 PolarHBondContact O-SG 3.25Å; F329-C332 PolarHBondContact O-N 2.9Å; E330-C332 VanDerWaalsContact C-N 3.32Å; E330-C332 PolarHBondContact O-N 3.07Å; C332-L334 VanDerWaalsContact C-N 3.34Å; C332-L334 PolarHBondContact O-N 2.87Å; C332-S335 PolarHBondContact O-N 3.06Å; C332-S335 PolarHBondContact O-OG 2.92Å
333N78.5Confident71.7Confident54 Ų5475.3 Ų75.329%0.28941%0.411SS..Hα-helixtrans-64.2-38178.1-68.7-22.7000112.6F329 E330 S335 E336 T337F329-N333 WeakPolarHBondContact CD1-ND2 3.47Å; F329-N333 WeakPolarHBondContact CE1-ND2 3.33Å; F329-N333 PolarHBondContact O-N 2.97Å; E330-N333 PolarHBondContact O-N 3.1Å; N333-S335 VanDerWaalsContact C-N 3.34Å; N333-S335 PolarHBondContact O-N 2.98Å; N333-E336 PolarHBondContact O-N 3Å; N333-T337 PolarHBondContact O-N 3.41Å
334L76.6Confident69.2Low62 Ų6277.6 Ų77.633%0.32543%0.434SS..Hα-helixtrans-63.1-39.3176.9-73.7169.3000112.3E330 C332 E336 T337 L338 T350E330-L334 HydrophobicContact CG-CD1 4.23Å; E330-L334 WeakPolarHBondContact O-CG 3.27Å; E330-L334 PolarHBondContact O-N 3.03Å; E330-L334 VanDerWaalsContact O-N 3.08Å; C332-L334 VanDerWaalsContact C-N 3.34Å; C332-L334 PolarHBondContact O-N 2.87Å; L334-E336 PolarHBondContact O-N 3.28Å; L334-T337 PolarHBondContact O-N 3.33Å; L334-T337 PolarHBondContact O-OG1 3.3Å; L334-L338 PolarHBondContact O-N 2.85Å; L334-T350 HydrophobicContact CD1-CG2 3.71Å
335S63.5Low66.6Low83 Ų8381.2 Ų81.258%0.5846%0.458SS*.Hα-helixtrans-63.5-24177.867.80000113.9M331 C332 N333M331-S335 PolarHBondContact O-N 2.9Å; C332-S335 PolarHBondContact O-N 3.06Å; C332-S335 PolarHBondContact O-OG 2.92Å; N333-S335 VanDerWaalsContact C-N 3.34Å; N333-S335 PolarHBondContact O-N 2.98Å
336E58.4Low63.9Low118 Ų11887 Ų8755%0.55149%0.494SS*.Hα-helixtrans-85.4-25.5177.4-65.4-178.2175.900112.8R46 N333 L334R46-E336 IonicContact CZ-OE1 3.35Å; R46-E336 IonicContact NH1-OE1 2.74Å; R46-E336 PolarHBondContact NH1-OE1 3.48Å; R46-E336 IonicContact NH2-OE1 3.29Å; R46-E336 PolarHBondContact NH2-OE1 3.41Å; N333-E336 PolarHBondContact O-N 3Å; L334-E336 PolarHBondContact O-N 3.28Å
337T54.5Low61.5Low98 Ų9892.2 Ų92.260%0.60153%0.53SS*.Hα-helixtrans-87.5-17.6-179.758.90000114.7N333 L334 T339N333-T337 PolarHBondContact O-N 3.41Å; L334-T337 PolarHBondContact O-N 3.33Å; L334-T337 PolarHBondContact O-OG1 3.3Å; T337-T339 VanDerWaalsContact C-N 3.34Å; T337-T339 PolarHBondContact O-N 3.49Å
338L47.9Very low59.3Low131 Ų13196.8 Ų96.869%0.68655%0.553SS**  trans-80.874.8179.1-73.5162.7000111.4L334L334-L338 PolarHBondContact O-N 2.85Å
339T39.3Very low57Low107 Ų10799.9 Ų99.966%0.65657%0.573SS**  trans-63.4137.5144.129.30000108.3T337 C341T337-T339 VanDerWaalsContact C-N 3.34Å; T337-T339 PolarHBondContact O-N 3.49Å; T339-C341 VanDerWaalsContact C-N 3.28Å; T339-C341 PolarHBondContact O-N 3.26Å; T339-C341 PolarHBondContact O-SG 3.08Å
340P41.8Very low55.2Low137 Ų137104.2 Ų104.289%0.8960%0.6SS**  trans-68.585.3-178.426.6-32.7000110.6
341C36.8Very low53.5Low102 Ų102110.3 Ų110.369%0.68963%0.626SS**  trans-94111.717047.70000109.4T339 N343T339-C341 VanDerWaalsContact C-N 3.28Å; T339-C341 PolarHBondContact O-N 3.26Å; T339-C341 PolarHBondContact O-SG 3.08Å; C341-N343 PolarHBondContact O-N 2.81Å
342N37.8Very low52.1Low168 Ų168108 Ų10890%0.89862%0.622SS**  trans-58.691.3166.5-78.2-22.9000109.9
343N39.5Very low51.5Low141 Ų141110.7 Ų110.775%0.75464%0.635SS**  trans-152.4109.8161-124.2-13.2000111.1C341 N345C341-N343 PolarHBondContact O-N 2.81Å; N343-N345 VanDerWaalsContact C-N 3.35Å; N343-N345 PolarHBondContact O-N 2.92Å
344T42.1Very low51.5Low125 Ų125109 Ų10977%0.76763%0.626SS**THydrogen-bonded Turntrans-84.712.1-166.438.80000115.5
345N41.4Very low51.9Low143 Ų143108.3 Ų108.377%0.76562%0.622SS**THydrogen-bonded Turntrans-119.218-167-75.5-10.6000116.9N343N343-N345 VanDerWaalsContact C-N 3.35Å; N343-N345 PolarHBondContact O-N 2.92Å
346T41.2Very low53.1Low126 Ų126108 Ų10877%0.77361%0.614SS**  trans-129.255.6166.347.20000111.4Q348T346-Q348 PolarHBondContact O-N 2.81Å
347S43.1Very low54.6Low111 Ų111103.8 Ų103.878%0.77659%0.594SS**  trans-74.545.5165.654.80000111.9C349S347-C349 VanDerWaalsContact C-N 3.34Å; S347-C349 PolarHBondContact O-N 3.04Å
348Q46.9Very low56.5Low167 Ų16799.4 Ų99.478%0.7857%0.567SS**  trans-58.8108.4157.6-84.1-177.1-7.500105.6T346 T350T346-Q348 PolarHBondContact O-N 2.81Å; Q348-T350 PolarHBondContact O-N 2.8Å
349C46.5Very low58.6Low71 Ų7198.7 Ų98.748%0.4856%0.56SS.*  trans-46.2111-170.7178.60000110.2S347 K351 C352 N353S347-C349 VanDerWaalsContact C-N 3.34Å; S347-C349 PolarHBondContact O-N 3.04Å; C349-K351 PolarHBondContact O-N 3.22Å; C349-C352 HydrophobicContact CB-CB 4.15Å; C349-C352 PolarHBondContact O-N 2.94Å; C349-C352 PolarHBondContact O-SG 2.8Å; C349-N353 PolarHBondContact O-N 3.37Å
350T57.3Low61.2Low92 Ų9298.1 Ų98.156%0.56455%0.548SS*.Hα-helixtrans-50.1-31.3179.5-46.30000111.8L334 Q348 L354L334-T350 HydrophobicContact CD1-CG2 3.71Å; Q348-T350 PolarHBondContact O-N 2.8Å; T350-L354 PolarHBondContact O-N 2.89Å
351K56.5Low63.7Low141 Ų14191.6 Ų91.661%0.61351%0.506SS*.Hα-helixtrans-66.8-38.8174.4-171.3-178.7178-178.30113.8C349 N353 L354 D355C349-K351 PolarHBondContact O-N 3.22Å; K351-N353 VanDerWaalsContact C-N 3.29Å; K351-N353 PolarHBondContact O-N 3.43Å; K351-L354 PolarHBondContact O-N 3.5Å; K351-D355 PolarHBondContact O-N 2.87Å
352C57.2Low66.5Low77 Ų7787.8 Ų87.852%0.5248%0.479SS..Hα-helixtrans-69.6-28.5179.273.30000112.4C349 L356C349-C352 HydrophobicContact CB-CB 4.15Å; C349-C352 PolarHBondContact O-N 2.94Å; C349-C352 PolarHBondContact O-SG 2.8Å; C352-L356 PolarHBondContact O-N 3.26Å
353N75.1Confident69.1Low70 Ų7082.6 Ų82.637%0.37446%0.459SS..Hα-helixtrans-71.2-39.8174.5-151.11.6000111.5C349 K351 L356 H357C349-N353 PolarHBondContact O-N 3.37Å; K351-N353 VanDerWaalsContact C-N 3.29Å; K351-N353 PolarHBondContact O-N 3.43Å; N353-L356 PolarHBondContact O-N 2.86Å; N353-H357 PolarHBondContact O-N 2.94Å; N353-H357 PolarHBondContact O-ND1 3.33Å; N353-H357 PolarHBondContact OD1-CE1 2.97Å; N353-H357 PolarHBondContact OD1-NE2 2.82Å
354L78.5Confident71.7Confident19 Ų1979.3 Ų79.310%0.09944%0.438CS..Hα-helixtrans-63.6-44.3-178-173.557.8000113.9K327 E330 T350 K351 H357 F358K327-L354 HydrophobicContact CB-CD1 4.42Å; K327-L354 HydrophobicContact CB-CD2 4.37Å; K327-L354 HydrophobicContact CD-CD2 3.74Å; K327-L354 HydrophobicContact CD-CG 4.35Å; K327-L354 HydrophobicContact CG-CD1 3.91Å; K327-L354 HydrophobicContact CG-CD2 3.68Å; K327-L354 HydrophobicContact CG-CG 3.92Å; E330-L354 HydrophobicContact CB-CD1 3.98Å; E330-L354 VanDerWaalsContact CD-CD1 3.45Å; E330-L354 HydrophobicContact CG-CD1 4.15Å; E330-L354 WeakPolarHBondContact OE2-CD1 3.36Å; T350-L354 PolarHBondContact O-N 2.89Å; K351-L354 PolarHBondContact O-N 3.5Å; L354-H357 PolarHBondContact O-N 3.18Å; L354-F358 PolarHBondContact O-N 3.39Å; L354-F358 VanDerWaalsContact O-N 3.09Å
355D85Confident74.4Confident47 Ų4773.4 Ų73.425%0.25140%0.402SS..Hα-helixtrans-68.1-37.9177.7-72.4-38.9000111.1R323 K351 F358 E359R323-D355 IonicContact NH1-OD1 3.38Å; R323-D355 PolarHBondContact NH1-OD1 3.24Å; K351-D355 PolarHBondContact O-N 2.87Å; D355-F358 WeakPolarHBondContact O-CB 3.26Å; D355-F358 PolarHBondContact O-N 3.27Å; D355-E359 WeakPolarHBondContact O-CG 3.26Å; D355-E359 PolarHBondContact O-N 3.17Å; D355-E359 VanDerWaalsContact O-N 3.07Å
356L88.7Confident77.1Confident76 Ų7666.6 Ų66.640%0.39837%0.365SS..Hα-helixtrans-65.1-40.6174.7178.363.2000112.2C352 N353 E359 K360C352-L356 PolarHBondContact O-N 3.26Å; N353-L356 PolarHBondContact O-N 2.86Å; L356-E359 PolarHBondContact O-N 3.19Å; L356-K360 HydrophobicContact CD1-CG 4.45Å; L356-K360 HydrophobicContact CG-CD 4.2Å; L356-K360 WeakPolarHBondContact O-CB 3.22Å; L356-K360 VanDerWaalsContact O-CG 3.27Å; L356-K360 WeakPolarHBondContact O-CG 3.31Å; L356-K360 PolarHBondContact O-N 3.4Å
357H90.4Very high79.8Confident30 Ų3060.7 Ų60.714%0.13933%0.329CS..Hα-helixtrans-61.9-45.1175.4-69.6149.1000111.6T71 E330 N353 L354 E359 K360 S361T71-H357 HydrophobicContact CG2-CB 3.6Å; T71-H357 WeakPolarHBondContact CG2-ND1 3.43Å; E330-H357 IonicContact OE1-CE1 3.33Å; E330-H357 IonicContact OE1-ND1 2.97Å; E330-H357 PolarHBondContact OE1-ND1 3.23Å; E330-H357 IonicContact OE2-CG 3.19Å; E330-H357 IonicContact OE2-ND1 3.65Å; E330-H357 PolarHBondContact OE2-ND1 2.98Å; N353-H357 PolarHBondContact O-N 2.94Å; N353-H357 PolarHBondContact O-ND1 3.33Å; N353-H357 PolarHBondContact OD1-CE1 2.97Å; N353-H357 PolarHBondContact OD1-NE2 2.82Å; L354-H357 PolarHBondContact O-N 3.18Å; H357-E359 PolarHBondContact O-N 3.07Å; H357-K360 WeakPolarHBondContact O-CB 3.41Å; H357-K360 PolarHBondContact O-N 3.4Å; H357-S361 PolarHBondContact O-N 3.14Å; H357-S361 PolarHBondContact O-OG 3.39Å
358F93.4Very high82.4Confident6 Ų655.4 Ų55.43%0.02629%0.292CS..Hα-helixtrans-56.6-48175.1170.1-102.3000112.5L319 I322 R323 L354 D355 K360 S361 L362L319-F358 HydrophobicContact CD1-CE1 4.28Å; L319-F358 HydrophobicContact CD1-CZ 3.6Å; L319-F358 HydrophobicContact CG-CZ 4.17Å; I322-F358 HydrophobicContact CB-CE2 4.35Å; I322-F358 HydrophobicContact CG2-CD2 4.48Å; I322-F358 HydrophobicContact CG2-CE2 3.83Å; R323-F358 VanDerWaalsContact CA-CE2 3.42Å; R323-F358 HydrophobicContact CB-CD2 3.88Å; R323-F358 HydrophobicContact CB-CE2 3.54Å; R323-F358 HydrophobicContact CB-CZ 3.98Å; R323-F358 HydrophobicContact CG-CD2 4Å; R323-F358 HydrophobicContact CG-CE2 4.09Å; R323-F358 HydrophobicContact CG-CG 4.24Å; R323-F358 HydrophobicContact CG-CZ 4.42Å; R323-F358 VanDerWaalsContact CZ-CE1 3.48Å; L354-F358 PolarHBondContact O-N 3.39Å; L354-F358 VanDerWaalsContact O-N 3.09Å; D355-F358 WeakPolarHBondContact O-CB 3.26Å; D355-F358 PolarHBondContact O-N 3.27Å; F358-K360 PolarHBondContact O-N 3.01Å; F358-S361 WeakPolarHBondContact O-CB 3.5Å; F358-S361 PolarHBondContact O-N 3.17Å; F358-L362 HydrophobicContact CD1-CD1 4.4Å; F358-L362 HydrophobicContact CE1-CD1 3.67Å; F358-L362 HydrophobicContact CE1-CG 4.45Å; F358-L362 HydrophobicContact CE2-CD1 4.35Å; F358-L362 HydrophobicContact CE2-CG 4.41Å; F358-L362 HydrophobicContact CZ-CD1 3.67Å; F358-L362 HydrophobicContact CZ-CD2 4.48Å; F358-L362 HydrophobicContact CZ-CG 4.22Å; F358-L362 PolarHBondContact O-N 2.99Å; F358-L362 VanDerWaalsContact O-N 3.12Å
359E93.1Very high84.9Confident117 Ų11747.5 Ų47.555%0.54726%0.255SS..Hα-helixtrans-63.1-40.6177.7-70.2170.4-176.700112.3D355 L356 H357 S361 L362 A363D355-E359 WeakPolarHBondContact O-CG 3.26Å; D355-E359 PolarHBondContact O-N 3.17Å; D355-E359 VanDerWaalsContact O-N 3.07Å; L356-E359 PolarHBondContact O-N 3.19Å; H357-E359 PolarHBondContact O-N 3.07Å; E359-S361 VanDerWaalsContact C-N 3.33Å; E359-S361 PolarHBondContact O-N 3.05Å; E359-L362 PolarHBondContact O-N 3.48Å; E359-A363 PolarHBondContact O-N 3.09Å; E359-A363 VanDerWaalsContact O-N 3.16Å
360K92.4Very high87.4Confident95 Ų9544.1 Ų44.141%0.41323%0.232SC..Hα-helixtrans-61.3-40.7173.3-74.9171178.6172.50111.9L356 H357 F358 A363 K364L356-K360 HydrophobicContact CD1-CG 4.45Å; L356-K360 HydrophobicContact CG-CD 4.2Å; L356-K360 WeakPolarHBondContact O-CB 3.22Å; L356-K360 VanDerWaalsContact O-CG 3.27Å; L356-K360 WeakPolarHBondContact O-CG 3.31Å; L356-K360 PolarHBondContact O-N 3.4Å; H357-K360 WeakPolarHBondContact O-CB 3.41Å; H357-K360 PolarHBondContact O-N 3.4Å; F358-K360 PolarHBondContact O-N 3.01Å; K360-A363 PolarHBondContact O-N 3.24Å; K360-K364 PolarHBondContact O-N 3.09Å
361S95Very high89.4Confident0 Ų040.3 Ų40.30%021%0.209CC..Hα-helixtrans-60.6-45.7177.4-56.80000111G72 N73 G74 N326 H357 F358 E359 A363 K364 S365G72-S361 VanDerWaalsContact CA-OG 3.31Å; G72-S361 WeakPolarHBondContact CA-OG 3.36Å; N73-S361 WeakPolarHBondContact O-CA 3.37Å; N73-S361 WeakPolarHBondContact O-CB 3.45Å; N73-S361 PolarHBondContact O-OG 2.76Å; G74-S361 WeakPolarHBondContact CA-O 3.35Å; N326-S361 PolarHBondContact OD1-OG 2.94Å; H357-S361 PolarHBondContact O-N 3.14Å; H357-S361 PolarHBondContact O-OG 3.39Å; F358-S361 WeakPolarHBondContact O-CB 3.5Å; F358-S361 PolarHBondContact O-N 3.17Å; E359-S361 VanDerWaalsContact C-N 3.33Å; E359-S361 PolarHBondContact O-N 3.05Å; S361-A363 PolarHBondContact O-N 2.9Å; S361-K364 PolarHBondContact O-N 3.27Å; S361-K364 VanDerWaalsContact O-N 3.14Å; S361-S365 PolarHBondContact O-N 2.86Å; S361-S365 PolarHBondContact O-OG 2.8Å
362L95.2Very high91.4Very high21 Ų2133.7 Ų33.711%0.1118%0.18CC..Hα-helixtrans-59.4-43.9176.6-66.4178.3000112L319 I322 F358 E359 K364 S365 V452L319-L362 HydrophobicContact CD1-CD1 4.17Å; I322-L362 HydrophobicContact CG2-CD2 4.19Å; F358-L362 HydrophobicContact CD1-CD1 4.4Å; F358-L362 HydrophobicContact CE1-CD1 3.67Å; F358-L362 HydrophobicContact CE1-CG 4.45Å; F358-L362 HydrophobicContact CE2-CD1 4.35Å; F358-L362 HydrophobicContact CE2-CG 4.41Å; F358-L362 HydrophobicContact CZ-CD1 3.67Å; F358-L362 HydrophobicContact CZ-CD2 4.48Å; F358-L362 HydrophobicContact CZ-CG 4.22Å; F358-L362 PolarHBondContact O-N 2.99Å; F358-L362 VanDerWaalsContact O-N 3.12Å; E359-L362 PolarHBondContact O-N 3.48Å; L362-K364 PolarHBondContact O-N 3.02Å; L362-K364 VanDerWaalsContact O-N 3.16Å; L362-S365 WeakPolarHBondContact O-CB 3.28Å; L362-S365 PolarHBondContact O-N 3.07Å; L362-V452 HydrophobicContact CB-CG2 4.42Å; L362-V452 HydrophobicContact CD2-CG2 4.15Å
363A93.1Very high93.3Very high60 Ų6030 Ų3050%0.49616%0.155SC..Hα-helixtrans-64.9-17.9178.300000114.7E359 K360 S361 N496E359-A363 PolarHBondContact O-N 3.09Å; E359-A363 VanDerWaalsContact O-N 3.16Å; K360-A363 PolarHBondContact O-N 3.24Å; S361-A363 PolarHBondContact O-N 2.9Å; A363-N496 PolarHBondContact O-ND2 3.29Å
364K94.7Very high94.3Very high72 Ų7230.2 Ų30.231%0.31315%0.154SC..THydrogen-bonded Turntrans-100.50.3174.6-66.4179-174.3171.10113.3G72 K360 S361 L362G72-K364 WeakPolarHBondContact O-CD 3.32Å; G72-K364 WeakPolarHBondContact O-CE 3.32Å; G72-K364 PolarHBondContact O-NZ 3.39Å; K360-K364 PolarHBondContact O-N 3.09Å; S361-K364 PolarHBondContact O-N 3.27Å; S361-K364 VanDerWaalsContact O-N 3.14Å; L362-K364 PolarHBondContact O-N 3.02Å; L362-K364 VanDerWaalsContact O-N 3.16Å
365S97.1Very high95.3Very high0 Ų029.5 Ų29.50%015%0.151CC..  trans-88.4164.4-176.8-58.90000111.9F75 S361 L362 W494F75-S365 WeakPolarHBondContact CB-OG 3.39Å; F75-S365 WeakPolarHBondContact CD2-OG 3.41Å; F75-S365 PolarHBondContact N-OG 3Å; F75-S365 VanDerWaalsContact O-CA 3.25Å; F75-S365 WeakPolarHBondContact O-CA 3.23Å; F75-S365 WeakPolarHBondContact O-CB 3.3Å; S361-S365 PolarHBondContact O-N 2.86Å; S361-S365 PolarHBondContact O-OG 2.8Å; L362-S365 WeakPolarHBondContact O-CB 3.28Å; L362-S365 PolarHBondContact O-N 3.07Å; S365-W494 PolarHBondContact O-NE1 2.97Å; S365-W494 VanDerWaalsContact O-NE1 3.12Å
366F98.1Very high95.9Very high0 Ų028.5 Ų28.50%015%0.146CC..EExtended strand (participates in β ladder)trans-143.3144.2171.6-167.1-87.1000109.2F75 L77 V368 T412 V415 P453 V455 Y486 L490 W494F75-F366 PolarHBondContact O-N 3.16Å; L77-F366 VanDerWaalsContact CD1-O 3.24Å; L77-F366 WeakPolarHBondContact CD1-O 3.46Å; L77-F366 PolarHBondContact N-O 2.87Å; F366-V368 HydrophobicContact CD1-CG2 4.43Å; F366-V368 HydrophobicContact CE1-CG2 4.17Å; F366-T412 HydrophobicContact CE2-CG2 3.76Å; F366-T412 HydrophobicContact CZ-CG2 4.07Å; F366-V415 HydrophobicContact CE1-CG1 4.33Å; F366-V415 HydrophobicContact CE2-CB 4.06Å; F366-V415 HydrophobicContact CE2-CG1 4.17Å; F366-V415 HydrophobicContact CE2-CG2 3.9Å; F366-V415 HydrophobicContact CZ-CB 3.92Å; F366-V415 HydrophobicContact CZ-CG1 3.96Å; F366-V415 HydrophobicContact CZ-CG2 4.27Å; F366-P453 HydrophobicContact CD2-CB 4.14Å; F366-P453 HydrophobicContact CE2-CB 4.47Å; F366-V455 HydrophobicContact CE1-CB 4.37Å; F366-V455 HydrophobicContact CE1-CG1 3.63Å; F366-V455 HydrophobicContact CZ-CB 4.3Å; F366-V455 HydrophobicContact CZ-CG1 4.02Å; F366-Y486 AromaticContact CD1-CE2 3.85Å; F366-Y486 HydrophobicContact CD1-CE2 3.85Å; F366-Y486 HydrophobicContact CE1-CE2 4.3Å; F366-Y486 PolarHBondContact O-OH 3.42Å; F366-Y486 VanDerWaalsContact O-OH 3.07Å; F366-L490 HydrophobicContact CB-CD1 3.85Å; F366-L490 HydrophobicContact CB-CD2 3.53Å; F366-L490 HydrophobicContact CB-CG 4.26Å; F366-L490 HydrophobicContact CD1-CD1 4.08Å; F366-L490 HydrophobicContact CD2-CD1 4.39Å; F366-L490 HydrophobicContact CG-CD1 3.89Å; F366-L490 HydrophobicContact CG-CD2 4.35Å; F366-W494 HydrophobicContact CB-CG 4.45Å; F366-W494 AromaticContact CD2-CD2 3.75Å; F366-W494 HydrophobicContact CD2-CD2 3.75Å; F366-W494 AromaticContact CD2-CE2 3.55Å; F366-W494 HydrophobicContact CD2-CE3 4.05Å; F366-W494 HydrophobicContact CD2-CG 4.31Å; F366-W494 AromaticContact CD2-CH2 3.93Å; F366-W494 HydrophobicContact CD2-CH2 3.93Å; F366-W494 AromaticContact CD2-CZ2 3.68Å; F366-W494 HydrophobicContact CD2-CZ2 3.68Å; F366-W494 HydrophobicContact CD2-CZ3 4.13Å; F366-W494 AromaticContact CD2-NE1 3.96Å; F366-W494 HydrophobicContact CE2-CD2 4.35Å; F366-W494 HydrophobicContact CE2-CE3 4.19Å; F366-W494 AromaticContact CE2-CH2 3.89Å; F366-W494 HydrophobicContact CE2-CH2 3.89Å; F366-W494 HydrophobicContact CE2-CZ2 4.12Å; F366-W494 AromaticContact CE2-CZ3 3.95Å; F366-W494 HydrophobicContact CE2-CZ3 3.95Å
367L98.5Very high96.3Very high3 Ų327.4 Ų27.42%0.01614%0.139CC..EExtended strand (participates in β ladder)trans-120.5127.2-179.3172.363.7000111.3L77 L446 V452 P453 T454 V455L77-L367 HydrophobicContact CB-CB 4.32Å; L77-L367 HydrophobicContact CB-CD1 3.61Å; L367-L446 HydrophobicContact CD2-CB 3.49Å; L367-L446 VanDerWaalsContact CD2-CB 3.49Å; L367-L446 HydrophobicContact CD2-CD1 3.91Å; L367-L446 HydrophobicContact CD2-CG 4.35Å; L367-V452 HydrophobicContact CB-CG1 4.02Å; L367-P453 PolarHBondContact N-O 2.96Å; L367-T454 HydrophobicContact CB-CG2 4.18Å; L367-T454 HydrophobicContact CD2-CG2 3.83Å; L367-T454 HydrophobicContact CG-CG2 3.88Å; L367-T454 CarbonylContact O-C 3.58Å; L367-T454 VanDerWaalsContact O-CA 3.26Å; L367-T454 WeakPolarHBondContact O-CA 3.44Å; L367-V455 PolarHBondContact O-N 3.1Å
368V98.8Very high96.6Very high0 Ų031.2 Ų31.20%017%0.166CC..EExtended strand (participates in β ladder)trans-97.2116162.8170.40000108.5L77 L78 G79 F366 A370 V455 L457 F483 Y486L77-V368 PolarHBondContact O-N 2.66Å; L78-V368 CarbonylContact C-O 3.49Å; L78-V368 WeakPolarHBondContact CA-O 3.35Å; L78-V368 HydrophobicContact CG-CG1 4.4Å; G79-V368 PolarHBondContact N-O 2.87Å; F366-V368 HydrophobicContact CD1-CG2 4.43Å; F366-V368 HydrophobicContact CE1-CG2 4.17Å; V368-A370 HydrophobicContact CG1-CB 4.26Å; V368-V455 HydrophobicContact CB-CG1 4.31Å; V368-V455 HydrophobicContact CG2-CG1 3.71Å; V368-L457 HydrophobicContact CG1-CD1 3.99Å; V368-L457 HydrophobicContact CG1-CD2 3.77Å; V368-L457 HydrophobicContact CG1-CG 3.83Å; V368-L457 HydrophobicContact CG2-CD2 4.49Å; V368-F483 HydrophobicContact CG1-CE1 4.05Å; V368-Y486 HydrophobicContact CB-CE1 4.25Å; V368-Y486 HydrophobicContact CG2-CD1 4.27Å; V368-Y486 HydrophobicContact CG2-CD2 3.81Å; V368-Y486 HydrophobicContact CG2-CE1 3.89Å; V368-Y486 HydrophobicContact CG2-CE2 3.44Å; V368-Y486 VanDerWaalsContact CG2-CE2 3.44Å; V368-Y486 HydrophobicContact CG2-CG 4.23Å; V368-Y486 VanDerWaalsContact CG2-CZ 3.47Å
369S98.8Very high96.8Very high0 Ų034.8 Ų34.80%019%0.192CC..EExtended strand (participates in β ladder)trans-89.4104.7166.3168.30000107.9I442 G443 V455 D456 L457S369-I442 WeakPolarHBondContact OG-CG1 3.36Å; S369-G443 VanDerWaalsContact CB-CA 3.49Å; S369-G443 WeakPolarHBondContact OG-CA 3.31Å; S369-G443 PolarHBondContact OG-N 3.08Å; S369-G443 VanDerWaalsContact OG-N 3.17Å; S369-V455 PolarHBondContact N-O 3.12Å; S369-D456 WeakPolarHBondContact CB-OD1 3.33Å; S369-D456 WeakPolarHBondContact O-CA 3.39Å; S369-D456 PolarHBondContact OG-OD1 3.04Å; S369-L457 PolarHBondContact O-N 2.87Å
370A98.9Very high97Very high0 Ų035.7 Ų35.70%019%0.191CC..EExtended strand (participates in β ladder)trans-102.1109.2-17500000110.3L78 G79 A80 N270 N273 V368 L457 F483L78-A370 HydrophobicContact CD2-CB 4.06Å; L78-A370 HydrophobicContact CG-CB 4.4Å; G79-A370 PolarHBondContact O-N 3.4Å; A80-A370 WeakPolarHBondContact CA-O 3.43Å; A80-A370 WeakPolarHBondContact CB-O 3.37Å; N270-A370 PolarHBondContact ND2-O 3.03Å; N273-A370 HydrophobicContact CB-CB 3.9Å; V368-A370 HydrophobicContact CG1-CB 4.26Å; A370-L457 WeakPolarHBondContact CA-O 3.37Å; A370-L457 HydrophobicContact CB-CD1 4.37Å; A370-F483 HydrophobicContact CB-CE1 4.06Å; A370-F483 HydrophobicContact CB-CZ 3.66Å
371D98.7Very high97.2Very high12 Ų1232 Ų326%0.06418%0.179CC..  trans-149.3141.2-178.7161.433.9000108.4H81 N270 N273 K399 T441 L457 G458H81-D371 IonicContact NE2-OD1 3.6Å; N270-D371 WeakPolarHBondContact ND2-CA 3.41Å; N273-D371 WeakPolarHBondContact ND2-CA 3.12Å; D371-K399 PolarHBondContact O-NZ 3.38Å; D371-K399 IonicContact OD2-NZ 3.19Å; D371-K399 PolarHBondContact OD2-NZ 3.08Å; D371-T441 HydrophobicContact CB-CG2 4.32Å; D371-T441 VanDerWaalsContact OD2-CG2 3.23Å; D371-T441 WeakPolarHBondContact OD2-CG2 3.48Å; D371-L457 PolarHBondContact N-O 2.95Å; D371-L457 CarbonylContact O-C 3.6Å; D371-G458 WeakPolarHBondContact O-CA 3.08Å
372Q98.2Very high97.2Very high2 Ų237.1 Ų37.11%0.00920%0.203CC..  trans-54156.8-169.3-74.4-63.7-64.100112.6F272 N273 K399 F459 Q461 M464F272-Q372 HydrophobicContact CB-CG 4.39Å; N273-Q372 PolarHBondContact ND2-N 2.7Å; N273-Q372 PolarHBondContact ND2-NE2 2.84Å; Q372-K399 PolarHBondContact O-NZ 2.95Å; Q372-F459 PolarHBondContact OE1-O 3.08Å; Q372-Q461 HydrophobicContact CB-CG 3.95Å; Q372-Q461 HydrophobicContact CG-CG 4.34Å; Q372-M464 HydrophobicContact CB-CE 3.73Å
373A98Very high97.2Very high1 Ų143.8 Ų43.81%0.00823%0.227CC..EExtended strand (participates in β ladder)trans-117.8145.7179.700000110.4A375 V397 F459 P460 Q461A373-A375 PolarHBondContact O-N 2.9Å; A373-V397 HydrophobicContact CB-CB 3.66Å; A373-V397 HydrophobicContact CB-CG1 3.8Å; A373-V397 HydrophobicContact CB-CG2 3.89Å; A373-F459 PolarHBondContact N-O 3.07Å; A373-P460 CarbonylContact O-C 3.59Å; A373-P460 WeakPolarHBondContact O-CA 3.41Å; A373-Q461 PolarHBondContact O-N 3.16Å
374H96.8Very high97.4Very high73 Ų7342.1 Ų42.134%0.33821%0.209SC..EExtended strand (participates in β ladder)trans-72.2116175.8-55.6-62.4000110.9P390 F430 M464H374-P390 WeakPolarHBondContact O-CG 3.34Å; H374-F430 HydrophobicContact CB-CE2 4.3Å; H374-F430 AromaticContact CD2-CZ 3.82Å; H374-M464 PolarHBondContact CE1-SD 3.29Å
375A98.2Very high97.5Very high5 Ų541 Ų414%0.04121%0.205CC..PPolyproline II helixtrans-68.2152.8163.600000110.2A373 H377 H384 P390 F392 P460 Q461 L462A373-A375 PolarHBondContact O-N 2.9Å; A375-H377 PolarHBondContact O-N 3.01Å; A375-H384 PolarHBondContact O-CE1 2.83Å; A375-P390 CarbonylContact C-O 3.52Å; A375-P390 VanDerWaalsContact CA-O 3.3Å; A375-P390 WeakPolarHBondContact CA-O 3.23Å; A375-F392 HydrophobicContact CB-CD1 3.86Å; A375-F392 HydrophobicContact CB-CE1 3.52Å; A375-F392 HydrophobicContact CB-CZ 4.43Å; A375-P460 HydrophobicContact CB-CB 3.85Å; A375-Q461 WeakPolarHBondContact CB-O 3.41Å; A375-Q461 PolarHBondContact N-O 3.46Å; A375-L462 HydrophobicContact CB-CD2 3.87Å; A375-L462 HydrophobicContact CB-CG 4.06Å
376V98Very high97.3Very high26 Ų2644.7 Ų44.716%0.15823%0.23CC..PPolyproline II helixtrans-61.2125.4173.965.70000110.3H384 K389 P390V376-H384 HydrophobicContact CG2-CB 4.47Å; V376-K389 HydrophobicContact CB-CB 4.04Å; V376-K389 HydrophobicContact CB-CG 4.34Å; V376-K389 HydrophobicContact CG1-CB 4.44Å; V376-K389 HydrophobicContact CG2-CB 4.34Å; V376-K389 HydrophobicContact CG2-CD 4.04Å; V376-K389 HydrophobicContact CG2-CG 4.14Å; V376-P390 PolarHBondContact N-O 3.11Å
377H97.6Very high97.3Very high53 Ų5354.3 Ų54.325%0.24527%0.267CS..PPolyproline II helixtrans-78.6128.6176.6-165.9-72.5000110.7A375 S379 W380 G381 H384 L462A375-H377 PolarHBondContact O-N 3.01Å; H377-S379 VanDerWaalsContact C-N 3.32Å; H377-S379 PolarHBondContact ND1-N 3.27Å; H377-S379 PolarHBondContact O-N 3.06Å; H377-W380 HydrophobicContact CB-CB 4.31Å; H377-W380 HydrophobicContact CB-CE3 4.45Å; H377-W380 AromaticContact CD2-CE3 3.81Å; H377-W380 AromaticContact CE1-CE3 3.16Å; H377-W380 AromaticContact CE1-CZ3 3.11Å; H377-W380 WeakPolarHBondContact CE1-CZ3 3.5Å; H377-W380 AromaticContact CG-CE3 3.54Å; H377-W380 AromaticContact ND1-CD2 3.99Å; H377-W380 AromaticContact ND1-CE3 3.1Å; H377-W380 AromaticContact ND1-CZ3 3.62Å; H377-W380 AromaticContact NE2-CE3 3.6Å; H377-W380 AromaticContact NE2-CZ3 3.39Å; H377-W380 WeakPolarHBondContact NE2-CZ3 3.13Å; H377-W380 CarbonylContact O-C 3.53Å; H377-W380 PolarHBondContact O-N 2.66Å; H377-G381 PolarHBondContact O-N 3.35Å; H377-G381 VanDerWaalsContact O-N 3.1Å; H377-H384 PolarHBondContact N-NE2 3.42Å; H377-H384 VanDerWaalsContact N-NE2 3.17Å; H377-L462 HydrophobicContact CB-CD2 4.35Å
378P96.9Very high97.2Very high109 Ų10956.2 Ų56.271%0.70828%0.276SS*.THydrogen-bonded Turntrans-62.2-35.8-175.723.3-34.2000113.5
379S97.6Very high97.2Very high81 Ų8159.8 Ų59.857%0.56629%0.292SS*.THydrogen-bonded Turntrans-84.8-13.9179.1-44.20000115.2H377H377-S379 VanDerWaalsContact C-N 3.32Å; H377-S379 PolarHBondContact ND1-N 3.27Å; H377-S379 PolarHBondContact O-N 3.06Å
380W96.3Very high97.1Very high136 Ų13659.8 Ų59.852%0.51529%0.292SS..  trans-136.338.1-172.6-65.8-66.8000111.4H377 E382 R383H377-W380 HydrophobicContact CB-CB 4.31Å; H377-W380 HydrophobicContact CB-CE3 4.45Å; H377-W380 AromaticContact CD2-CE3 3.81Å; H377-W380 AromaticContact CE1-CE3 3.16Å; H377-W380 AromaticContact CE1-CZ3 3.11Å; H377-W380 WeakPolarHBondContact CE1-CZ3 3.5Å; H377-W380 AromaticContact CG-CE3 3.54Å; H377-W380 AromaticContact ND1-CD2 3.99Å; H377-W380 AromaticContact ND1-CE3 3.1Å; H377-W380 AromaticContact ND1-CZ3 3.62Å; H377-W380 AromaticContact NE2-CE3 3.6Å; H377-W380 AromaticContact NE2-CZ3 3.39Å; H377-W380 WeakPolarHBondContact NE2-CZ3 3.13Å; H377-W380 CarbonylContact O-C 3.53Å; H377-W380 PolarHBondContact O-N 2.66Å; W380-E382 VanDerWaalsContact CA-OE2 3.25Å; W380-E382 WeakPolarHBondContact CA-OE2 3.27Å; W380-E382 PolarHBondContact O-N 2.96Å; W380-E382 VanDerWaalsContact O-N 3.07Å; W380-R383 HydrophobicContact CB-CB 4.48Å; W380-R383 HydrophobicContact CB-CG 3.97Å; W380-R383 WeakPolarHBondContact O-CB 3.45Å; W380-R383 PolarHBondContact O-N 3.41Å
381G96.1Very high97.1Very high17 Ų1764.1 Ų64.118%0.17531%0.312CS..G310 helixtrans-60.9-19.1-176.400000114H377 R383 H384 K389H377-G381 PolarHBondContact O-N 3.35Å; H377-G381 VanDerWaalsContact O-N 3.1Å; G381-R383 VanDerWaalsContact C-N 3.34Å; G381-H384 PolarHBondContact O-N 3.07Å; G381-K389 VanDerWaalsContact O-CE 3.3Å; G381-K389 WeakPolarHBondContact O-CE 3.3Å; G381-K389 PolarHBondContact O-NZ 3.29Å
382E95.6Very high97.1Very high108 Ų10865.1 Ų65.151%0.50532%0.316SS..G310 helixtrans-73.2-20.9173.975.6-68162.500113.9W380 H384 R433W380-E382 VanDerWaalsContact CA-OE2 3.25Å; W380-E382 WeakPolarHBondContact CA-OE2 3.27Å; W380-E382 PolarHBondContact O-N 2.96Å; W380-E382 VanDerWaalsContact O-N 3.07Å; E382-H384 PolarHBondContact O-N 2.97Å; E382-R433 WeakPolarHBondContact O-CD 3.47Å; E382-R433 PolarHBondContact O-NH1 2.85Å
383R95.7Very high97.1Very high161 Ų16168.4 Ų68.461%0.60833%0.331SS*.G310 helixtrans-74.2-10.3174-63.6-69.2-172.7168.22.7113W380 G381 R433W380-R383 HydrophobicContact CB-CB 4.48Å; W380-R383 HydrophobicContact CB-CG 3.97Å; W380-R383 WeakPolarHBondContact O-CB 3.45Å; W380-R383 PolarHBondContact O-N 3.41Å; G381-R383 VanDerWaalsContact C-N 3.34Å; R383-R433 VanDerWaalsContact C-CD 3.46Å; R383-R433 WeakPolarHBondContact O-CD 3.46Å
384H96.5Very high97.1Very high26 Ų2670.2 Ų70.212%0.1234%0.344CS..SBendtrans-98.6150.7175.5-62.5-98.2000110.8A375 V376 H377 G381 E382 K389A375-H384 PolarHBondContact O-CE1 2.83Å; V376-H384 HydrophobicContact CG2-CB 4.47Å; H377-H384 PolarHBondContact N-NE2 3.42Å; H377-H384 VanDerWaalsContact N-NE2 3.17Å; G381-H384 PolarHBondContact O-N 3.07Å; E382-H384 PolarHBondContact O-N 2.97Å; H384-K389 HydrophobicContact CB-CG 3.98Å
385E96.4Very high97.1Very high48 Ų4866.8 Ų66.822%0.22433%0.328CS..  trans-63.4137.3169.3-157.3-60.711300108.4Y387 H388 K389 V431 R433E385-Y387 VanDerWaalsContact C-N 3.28Å; E385-Y387 PolarHBondContact O-N 3.12Å; E385-Y387 PolarHBondContact OE2-N 3.18Å; E385-H388 HydrophobicContact CB-CB 4.34Å; E385-H388 PolarHBondContact O-N 2.94Å; E385-H388 IonicContact OE2-CE1 3.05Å; E385-H388 IonicContact OE2-CG 3.46Å; E385-H388 PolarHBondContact OE2-N 3.41Å; E385-H388 IonicContact OE2-ND1 3.37Å; E385-H388 PolarHBondContact OE2-ND1 2.86Å; E385-K389 WeakPolarHBondContact O-CG 3.31Å; E385-V431 WeakPolarHBondContact CB-O 3.26Å; E385-R433 HydrophobicContact CB-CG 4.21Å
386C94.5Very high97.2Very high77 Ų7766.5 Ų66.552%0.5233%0.326SS..THydrogen-bonded Turntrans-66.9-24.8-164.461.30000114.7
387Y96.4Very high97.2Very high202 Ų20265.3 Ų65.379%0.79232%0.318SS*.THydrogen-bonded Turntrans-106-4.6178.6-63.9-76000114E385E385-Y387 VanDerWaalsContact C-N 3.28Å; E385-Y387 PolarHBondContact O-N 3.12Å; E385-Y387 PolarHBondContact OE2-N 3.18Å
388H97.7Very high97.2Very high43 Ų4362.8 Ų62.820%0.19931%0.307CS..  trans-122.466.9-179.5-56.881.3000110E385 P390 E429 V431E385-H388 HydrophobicContact CB-CB 4.34Å; E385-H388 PolarHBondContact O-N 2.94Å; E385-H388 IonicContact OE2-CE1 3.05Å; E385-H388 IonicContact OE2-CG 3.46Å; E385-H388 PolarHBondContact OE2-N 3.41Å; E385-H388 IonicContact OE2-ND1 3.37Å; E385-H388 PolarHBondContact OE2-ND1 2.86Å; H388-P390 VanDerWaalsContact O-CD 3.23Å; H388-P390 WeakPolarHBondContact O-CD 3.44Å; H388-E429 IonicContact CD2-OE2 3.93Å; H388-E429 IonicContact NE2-OE2 3.9Å; H388-V431 HydrophobicContact CB-CB 4.14Å; H388-V431 HydrophobicContact CB-CG2 4.44Å; H388-V431 VanDerWaalsContact CD2-CG2 3.42Å; H388-V431 WeakPolarHBondContact CD2-CG2 3.45Å
389K97.4Very high97.3Very high76 Ų7657.7 Ų57.733%0.3327%0.273SS..  trans-11184.5-178.2-72.3-179.6170.21770111V376 G381 H384 E385 Q391V376-K389 HydrophobicContact CB-CB 4.04Å; V376-K389 HydrophobicContact CB-CG 4.34Å; V376-K389 HydrophobicContact CG1-CB 4.44Å; V376-K389 HydrophobicContact CG2-CB 4.34Å; V376-K389 HydrophobicContact CG2-CD 4.04Å; V376-K389 HydrophobicContact CG2-CG 4.14Å; G381-K389 VanDerWaalsContact O-CE 3.3Å; G381-K389 WeakPolarHBondContact O-CE 3.3Å; G381-K389 PolarHBondContact O-NZ 3.29Å; H384-K389 HydrophobicContact CB-CG 3.98Å; E385-K389 WeakPolarHBondContact O-CG 3.31Å; K389-Q391 PolarHBondContact O-N 2.86Å; K389-Q391 PolarHBondContact O-NE2 3.39Å
390P98.4Very high97.3Very high0 Ų056.2 Ų56.20%026%0.256CS..  trans-53.6130.6176.4-25.834000111.7H374 A375 V376 H388 V397 F430 P460H374-P390 WeakPolarHBondContact O-CG 3.34Å; A375-P390 CarbonylContact C-O 3.52Å; A375-P390 VanDerWaalsContact CA-O 3.3Å; A375-P390 WeakPolarHBondContact CA-O 3.23Å; V376-P390 PolarHBondContact N-O 3.11Å; H388-P390 VanDerWaalsContact O-CD 3.23Å; H388-P390 WeakPolarHBondContact O-CD 3.44Å; P390-V397 HydrophobicContact CB-CG1 4.14Å; P390-V397 HydrophobicContact CB-CG2 3.83Å; P390-V397 HydrophobicContact CG-CG1 3.63Å; P390-V397 HydrophobicContact CG-CG2 4.28Å; P390-F430 HydrophobicContact CG-CB 3.98Å; P390-F430 HydrophobicContact CG-CD2 4.14Å; P390-P460 HydrophobicContact CB-CB 4.33Å
391Q98.3Very high97.3Very high90 Ų9051 Ų5142%0.42124%0.238SC..  trans-108.3153.5178.4-56.9-61-4300109.7K389 Q428 P460K389-Q391 PolarHBondContact O-N 2.86Å; K389-Q391 PolarHBondContact O-NE2 3.39Å; Q391-Q428 PolarHBondContact O-NE2 3.1Å; Q391-P460 VanDerWaalsContact O-CG 3.27Å; Q391-P460 WeakPolarHBondContact O-CG 3.39Å
392F98.3Very high97.2Very high33 Ų3357.2 Ų57.215%0.14527%0.272CS..THydrogen-bonded Turntrans-59.3158.6163.5-72.4-6.3000111.8F262 A375 S394 P460 L462 L470 C472F262-F392 HydrophobicContact CD1-CD2 4.22Å; F262-F392 HydrophobicContact CD1-CE2 4.06Å; F262-F392 AromaticContact CE1-CD2 3.79Å; F262-F392 HydrophobicContact CE1-CD2 3.79Å; F262-F392 AromaticContact CE1-CE2 3.91Å; F262-F392 HydrophobicContact CE1-CE2 3.91Å; A375-F392 HydrophobicContact CB-CD1 3.86Å; A375-F392 HydrophobicContact CB-CE1 3.52Å; A375-F392 HydrophobicContact CB-CZ 4.43Å; F392-S394 PolarHBondContact O-N 2.74Å; F392-S394 PolarHBondContact O-OG 2.74Å; F392-S394 VanDerWaalsContact O-OG 3.14Å; F392-P460 HydrophobicContact CD1-CB 4Å; F392-P460 HydrophobicContact CD1-CG 4.14Å; F392-P460 HydrophobicContact CE1-CB 4.39Å; F392-P460 VanDerWaalsContact CE1-O 3.3Å; F392-P460 WeakPolarHBondContact CE1-O 3.49Å; F392-L462 HydrophobicContact CE1-CG 4.18Å; F392-L462 HydrophobicContact CE2-CD1 4.01Å; F392-L462 HydrophobicContact CZ-CB 4.34Å; F392-L462 HydrophobicContact CZ-CD1 3.69Å; F392-L462 HydrophobicContact CZ-CG 3.7Å; F392-L470 HydrophobicContact CE2-CG 4.46Å; F392-L470 HydrophobicContact CZ-CG 4.41Å; F392-C472 HydrophobicContact CB-CB 3.66Å; F392-C472 HydrophobicContact CD1-CB 4.21Å; F392-C472 HydrophobicContact CD2-CB 3.77Å; F392-C472 HydrophobicContact CE2-CB 4.41Å; F392-C472 HydrophobicContact CG-CB 3.64Å
393H97.8Very high97.1Very high71 Ų7156.5 Ų56.533%0.32928%0.279SS..THydrogen-bonded Turntrans62.9-3.1-179.3-45.9-65.4000116.5E261 C472 T474 Q478E261-H393 IonicContact OE2-NE2 3.8Å; H393-C472 PolarHBondContact N-SG 3.16Å; H393-T474 WeakPolarHBondContact CA-OG1 3.08Å; H393-T474 PolarHBondContact ND1-OG1 3.44Å; H393-Q478 PolarHBondContact O-NE2 3.06Å
394S98Very high97Very high40 Ų4054.1 Ų54.128%0.2828%0.275SS..SBendtrans-103.128.7-170.1-59.80000112.6F392 Q428F392-S394 PolarHBondContact O-N 2.74Å; F392-S394 PolarHBondContact O-OG 2.74Å; F392-S394 VanDerWaalsContact O-OG 3.14Å; S394-Q428 VanDerWaalsContact C-NE2 3.29Å; S394-Q428 VanDerWaalsContact O-CD 3.31Å; S394-Q428 VanDerWaalsContact O-CG 3.25Å; S394-Q428 WeakPolarHBondContact O-CG 3.37Å; S394-Q428 PolarHBondContact O-NE2 2.84Å
395G97.9Very high97Very high0 Ų058.8 Ų58.80%029%0.291CS..  trans71-149.4167.400000115.5P426 Q478G395-P426 CarbonylContact C-O 3.52Å; G395-P426 VanDerWaalsContact CA-O 3.3Å; G395-P426 WeakPolarHBondContact CA-O 3.24Å; G395-Q478 VanDerWaalsContact CA-OE1 3.31Å; G395-Q478 VanDerWaalsContact N-OE1 3.16Å
396V98.8Very high97.1Very high0 Ų057 Ų570%028%0.282CS..EExtended strand (participates in β ladder)trans-77.4142.9-170.9640000111.2A420 V425 P426 V427 Q428 L457 F459 F482V396-A420 HydrophobicContact CG1-CB 4.46Å; V396-V425 HydrophobicContact CB-CG1 4.47Å; V396-V425 HydrophobicContact CG1-CG1 4.27Å; V396-P426 PolarHBondContact N-O 2.68Å; V396-V427 HydrophobicContact CG1-CB 4.34Å; V396-V427 HydrophobicContact CG1-CG1 4.27Å; V396-V427 HydrophobicContact CG1-CG2 3.88Å; V396-V427 CarbonylContact O-C 3.54Å; V396-V427 WeakPolarHBondContact O-CA 3.5Å; V396-Q428 PolarHBondContact O-N 3.11Å; V396-L457 HydrophobicContact CG2-CB 4Å; V396-L457 HydrophobicContact CG2-CD1 3.9Å; V396-L457 HydrophobicContact CG2-CD2 4.12Å; V396-L457 HydrophobicContact CG2-CG 4.23Å; V396-F459 HydrophobicContact CB-CE1 3.88Å; V396-F459 HydrophobicContact CB-CZ 3.79Å; V396-F459 HydrophobicContact CG2-CE1 4.44Å; V396-F459 HydrophobicContact CG2-CE2 4.34Å; V396-F459 HydrophobicContact CG2-CZ 3.94Å; V396-F482 HydrophobicContact CG1-CD2 4.27Å; V396-F482 HydrophobicContact CG1-CE2 4.27Å; V396-F482 HydrophobicContact CG2-CE1 4.42Å
397V98.8Very high97.2Very high0 Ų053.6 Ų53.60%026%0.26CS..EExtended strand (participates in β ladder)trans-112.3114.8-179.3-174.10000109.4A373 P390 Q428 F430 L457 G458 P460A373-V397 HydrophobicContact CB-CB 3.66Å; A373-V397 HydrophobicContact CB-CG1 3.8Å; A373-V397 HydrophobicContact CB-CG2 3.89Å; P390-V397 HydrophobicContact CB-CG1 4.14Å; P390-V397 HydrophobicContact CB-CG2 3.83Å; P390-V397 HydrophobicContact CG-CG1 3.63Å; P390-V397 HydrophobicContact CG-CG2 4.28Å; V397-Q428 WeakPolarHBondContact CA-O 3.35Å; V397-Q428 HydrophobicContact CG2-CB 4.23Å; V397-F430 HydrophobicContact CG1-CB 3.57Å; V397-L457 CarbonylContact O-C 3.53Å; V397-L457 WeakPolarHBondContact O-CA 3.33Å; V397-L457 WeakPolarHBondContact O-CB 3.42Å; V397-G458 PolarHBondContact N-O 2.72Å; V397-G458 PolarHBondContact O-N 2.88Å; V397-P460 HydrophobicContact CG2-CB 4.48Å
398L98.7Very high97.3Very high0 Ų044.5 Ų44.50%023%0.226CC..EExtended strand (participates in β ladder)trans-76.2127.4169.5-78.3172.9000110.4Y400 T408 A413 V416 R417 V427 Q428 E429 F430 V455 L457L398-Y400 HydrophobicContact CB-CD2 4.36Å; L398-Y400 HydrophobicContact CB-CE2 3.65Å; L398-Y400 HydrophobicContact CD1-CE2 4.43Å; L398-T408 HydrophobicContact CD2-CG2 4.45Å; L398-A413 HydrophobicContact CD1-CB 3.92Å; L398-V416 HydrophobicContact CD1-CG1 4.28Å; L398-V416 HydrophobicContact CD2-CB 3.86Å; L398-V416 HydrophobicContact CD2-CG1 3.66Å; L398-V416 HydrophobicContact CD2-CG2 4.02Å; L398-V416 HydrophobicContact CG-CG1 4.02Å; L398-R417 HydrophobicContact CD1-CG 4.49Å; L398-R417 VanDerWaalsContact CD1-NH1 3.32Å; L398-V427 HydrophobicContact CD1-CG1 4Å; L398-V427 HydrophobicContact CG-CG1 4.2Å; L398-Q428 PolarHBondContact N-O 3.38Å; L398-E429 CarbonylContact O-C 3.33Å; L398-E429 WeakPolarHBondContact O-CA 3.48Å; L398-F430 PolarHBondContact O-N 3.08Å; L398-V455 HydrophobicContact CD2-CG2 3.39Å; L398-L457 HydrophobicContact CD2-CB 4.45Å
399K98.4Very high97.3Very high2 Ų245.9 Ų45.91%0.00924%0.235CC..EExtended strand (participates in β ladder)trans-100.2123.1-178.7-56.5-168.3-69-164.40110D371 Q372 Y406 T408 F430 D456D371-K399 PolarHBondContact O-NZ 3.38Å; D371-K399 IonicContact OD2-NZ 3.19Å; D371-K399 PolarHBondContact OD2-NZ 3.08Å; Q372-K399 PolarHBondContact O-NZ 2.95Å; K399-Y406 HydrophobicContact CB-CD1 3.83Å; K399-Y406 HydrophobicContact CB-CD2 3.64Å; K399-Y406 HydrophobicContact CB-CE1 4Å; K399-Y406 HydrophobicContact CB-CE2 3.81Å; K399-Y406 HydrophobicContact CB-CG 3.66Å; K399-Y406 HydrophobicContact CD-CD1 4.37Å; K399-Y406 HydrophobicContact CD-CE1 3.85Å; K399-Y406 WeakPolarHBondContact O-CB 3.49Å; K399-T408 WeakPolarHBondContact O-CB 3.34Å; K399-T408 PolarHBondContact O-OG1 2.79Å; K399-F430 HydrophobicContact CG-CD1 4.49Å; K399-D456 HydrophobicContact CB-CB 4.08Å; K399-D456 PolarHBondContact N-O 2.73Å
400Y97.3Very high97.2Very high51 Ų5147.3 Ų47.320%0.225%0.254CS..EExtended strand (participates in β ladder)trans-120135.8-179.9-64.5-94000111.8L398 T408 A413 R417 E429 F430L398-Y400 HydrophobicContact CB-CD2 4.36Å; L398-Y400 HydrophobicContact CB-CE2 3.65Å; L398-Y400 HydrophobicContact CD1-CE2 4.43Å; Y400-T408 HydrophobicContact CD1-CG2 3.7Å; Y400-T408 HydrophobicContact CE1-CG2 3.49Å; Y400-T408 VanDerWaalsContact CE1-CG2 3.49Å; Y400-T408 HydrophobicContact CG-CG2 4.32Å; Y400-A413 HydrophobicContact CE1-CB 4.13Å; Y400-A413 WeakPolarHBondContact OH-CB 3.5Å; Y400-R417 PolarHBondContact OH-NH2 3.33Å; Y400-E429 HydrophobicContact CE2-CB 4.29Å; Y400-E429 HydrophobicContact CE2-CG 4.07Å; Y400-F430 PolarHBondContact N-O 3.29Å
401N96.3Very high97.1Very high26 Ų2652.1 Ų52.114%0.13928%0.279CS..  trans-156115.3170.5-174.2-67.9000109.7S403 Q404 R405 Y406N401-S403 PolarHBondContact O-N 2.92Å; N401-S403 VanDerWaalsContact O-N 3.14Å; N401-S403 WeakPolarHBondContact OD1-CA 3.45Å; N401-S403 VanDerWaalsContact OD1-CB 3.26Å; N401-S403 WeakPolarHBondContact OD1-CB 3.42Å; N401-S403 PolarHBondContact OD1-N 3.11Å; N401-Q404 PolarHBondContact O-N 3.38Å; N401-R405 HydrophobicContact CB-CB 3.84Å; N401-Y406 HydrophobicContact CB-CD2 3.56Å; N401-Y406 HydrophobicContact CB-CE2 4.21Å; N401-Y406 HydrophobicContact CB-CG 4.29Å
402V93.4Very high97.1Very high148 Ų14847.9 Ų47.990%0.89726%0.26SS*.THydrogen-bonded Turntrans-65.4-17.7-175.3-63.70000113.8Q404V402-Q404 PolarHBondContact O-N 2.88Å
403S94.3Very high97.1Very high93 Ų9346.4 Ų46.465%0.6525%0.253SS*.THydrogen-bonded Turntrans-85.115.9173.5-52.40000113.2N401 R405N401-S403 PolarHBondContact O-N 2.92Å; N401-S403 VanDerWaalsContact O-N 3.14Å; N401-S403 WeakPolarHBondContact OD1-CA 3.45Å; N401-S403 VanDerWaalsContact OD1-CB 3.26Å; N401-S403 WeakPolarHBondContact OD1-CB 3.42Å; N401-S403 PolarHBondContact OD1-N 3.11Å; S403-R405 VanDerWaalsContact C-N 3.26Å; S403-R405 PolarHBondContact O-N 3.32Å
404Q94.1Very high97.1Very high110 Ų11045.6 Ų45.651%0.51426%0.259SS..THydrogen-bonded Turntrans60.332.2177.3-59.3-66.3-47.800113.5N401 V402 P444N401-Q404 PolarHBondContact O-N 3.38Å; V402-Q404 PolarHBondContact O-N 2.88Å; Q404-P444 WeakPolarHBondContact O-CB 3.45Å; Q404-P444 WeakPolarHBondContact O-CG 3.23Å
405R96Very high97.1Very high125 Ų12544.3 Ų44.347%0.47225%0.249SC..THydrogen-bonded Turntrans-71.4-23.8160.9-62.3-61.9-177.6178.20.7112.2N401 S403 C438 G439 S440 P444N401-R405 HydrophobicContact CB-CB 3.84Å; S403-R405 VanDerWaalsContact C-N 3.26Å; S403-R405 PolarHBondContact O-N 3.32Å; R405-C438 HydrophobicContact CG-CB 4.41Å; R405-G439 WeakPolarHBondContact CB-O 3.46Å; R405-S440 PolarHBondContact O-OG 2.74Å; R405-P444 WeakPolarHBondContact O-CG 3.25Å
406Y97.8Very high97.1Very high9 Ų944.3 Ų44.34%0.03525%0.249CC..SBendtrans-130.9137.2169.4-55-52.6000106.8K399 N401 T408 F430 C438 T441 D456K399-Y406 HydrophobicContact CB-CD1 3.83Å; K399-Y406 HydrophobicContact CB-CD2 3.64Å; K399-Y406 HydrophobicContact CB-CE1 4Å; K399-Y406 HydrophobicContact CB-CE2 3.81Å; K399-Y406 HydrophobicContact CB-CG 3.66Å; K399-Y406 HydrophobicContact CD-CD1 4.37Å; K399-Y406 HydrophobicContact CD-CE1 3.85Å; K399-Y406 WeakPolarHBondContact O-CB 3.49Å; N401-Y406 HydrophobicContact CB-CD2 3.56Å; N401-Y406 HydrophobicContact CB-CE2 4.21Å; N401-Y406 HydrophobicContact CB-CG 4.29Å; Y406-T408 VanDerWaalsContact C-N 3.29Å; Y406-F430 HydrophobicContact CE2-CD1 4.1Å; Y406-F430 HydrophobicContact CE2-CE1 4.08Å; Y406-C438 VanDerWaalsContact CE2-SG 3.57Å; Y406-C438 PolarHBondContact OH-SG 3.34Å; Y406-T441 HydrophobicContact CD1-CG2 3.63Å; Y406-T441 HydrophobicContact CE1-CG2 3.55Å; Y406-D456 WeakPolarHBondContact CA-OD2 3.24Å; Y406-D456 HydrophobicContact CD1-CB 3.97Å; Y406-D456 HydrophobicContact CG-CB 4.21Å
407A97.7Very high97.1Very high7 Ų748.2 Ų48.26%0.05826%0.264CS..  trans-80.5-7.5-18000000113.4N409 P444 T454 D456A407-N409 PolarHBondContact O-N 3.13Å; A407-P444 HydrophobicContact CB-CG 4.44Å; A407-T454 CarbonylContact C-O 3.58Å; A407-T454 HydrophobicContact CB-CG2 3.92Å; A407-D456 PolarHBondContact N-OD2 2.93Å
408T98.4Very high97.1Very high10 Ų1052.1 Ų52.16%0.06128%0.283CS..  trans-53129.1178.1-54.80000112.2L398 K399 Y400 Y406 A413 V455 D456L398-T408 HydrophobicContact CD2-CG2 4.45Å; K399-T408 WeakPolarHBondContact O-CB 3.34Å; K399-T408 PolarHBondContact O-OG1 2.79Å; Y400-T408 HydrophobicContact CD1-CG2 3.7Å; Y400-T408 HydrophobicContact CE1-CG2 3.49Å; Y400-T408 VanDerWaalsContact CE1-CG2 3.49Å; Y400-T408 HydrophobicContact CG-CG2 4.32Å; Y406-T408 VanDerWaalsContact C-N 3.29Å; T408-A413 HydrophobicContact CG2-CB 4.1Å; T408-V455 HydrophobicContact CG2-CG2 3.96Å; T408-D456 PolarHBondContact OG1-N 3.14Å; T408-D456 PolarHBondContact OG1-O 3.02Å
409N96.6Very high97.1Very high73 Ų7352.1 Ų52.139%0.3928%0.283SS..  trans-131.2-179.5170.764.452000110.4A407 L411 T412 A413A407-N409 PolarHBondContact O-N 3.13Å; N409-L411 VanDerWaalsContact C-N 3.29Å; N409-L411 PolarHBondContact O-N 3.21Å; N409-L411 WeakPolarHBondContact OD1-CB 3.39Å; N409-L411 PolarHBondContact OD1-N 3.39Å; N409-T412 PolarHBondContact N-OG1 3.03Å; N409-T412 PolarHBondContact O-N 2.82Å; N409-T412 PolarHBondContact O-OG1 3.41Å; N409-T412 PolarHBondContact OD1-N 2.84Å; N409-A413 WeakPolarHBondContact O-CB 3.29Å; N409-A413 PolarHBondContact O-N 3.25Å
410S96.6Very high97.1Very high106 Ų10652.1 Ų52.174%0.74128%0.283SS*.Hα-helixtrans-58.8-38.6-176.653.80000113.5A414S410-A414 WeakPolarHBondContact O-CB 3.35Å; S410-A414 PolarHBondContact O-N 2.7Å; S410-A414 VanDerWaalsContact O-N 3.08Å
411L95.5Very high97.1Very high100 Ų10056.4 Ų56.452%0.52430%0.304SS..Hα-helixtrans-71.3-46.8-179.3-179.963.4000111.1N409 A414 V415 W494N409-L411 VanDerWaalsContact C-N 3.29Å; N409-L411 PolarHBondContact O-N 3.21Å; N409-L411 WeakPolarHBondContact OD1-CB 3.39Å; N409-L411 PolarHBondContact OD1-N 3.39Å; L411-A414 PolarHBondContact O-N 3.4Å; L411-V415 PolarHBondContact O-N 2.76Å; L411-W494 HydrophobicContact CD1-CH2 4.28Å; L411-W494 HydrophobicContact CD1-CZ3 3.97Å; L411-W494 HydrophobicContact CD2-CH2 3.51Å; L411-W494 HydrophobicContact CD2-CZ2 4.49Å; L411-W494 HydrophobicContact CD2-CZ3 4.07Å; L411-W494 HydrophobicContact CG-CH2 3.6Å; L411-W494 HydrophobicContact CG-CZ3 3.74Å
412T97.7Very high97.2Very high1 Ų159 Ų591%0.00632%0.318CS..Hα-helixtrans-71.5-33.4-178.163.90000111.7F366 N409 V415 V416 P453 T454F366-T412 HydrophobicContact CE2-CG2 3.76Å; F366-T412 HydrophobicContact CZ-CG2 4.07Å; N409-T412 PolarHBondContact N-OG1 3.03Å; N409-T412 PolarHBondContact O-N 2.82Å; N409-T412 PolarHBondContact O-OG1 3.41Å; N409-T412 PolarHBondContact OD1-N 2.84Å; T412-V415 PolarHBondContact O-N 2.71Å; T412-V416 PolarHBondContact O-N 3.11Å; T412-P453 HydrophobicContact CG2-CB 3.97Å; T412-T454 WeakPolarHBondContact CB-O 3.12Å; T412-T454 WeakPolarHBondContact CG2-O 3.25Å; T412-T454 PolarHBondContact OG1-O 2.89Å
413A98.3Very high97.5Very high2 Ų252.8 Ų52.82%0.01728%0.28CS..Hα-helixtrans-63.3-40.8169.400000113.3L398 Y400 T408 N409 V415 V416 R417L398-A413 HydrophobicContact CD1-CB 3.92Å; Y400-A413 HydrophobicContact CE1-CB 4.13Å; Y400-A413 WeakPolarHBondContact OH-CB 3.5Å; T408-A413 HydrophobicContact CG2-CB 4.1Å; N409-A413 WeakPolarHBondContact O-CB 3.29Å; N409-A413 PolarHBondContact O-N 3.25Å; A413-V415 VanDerWaalsContact C-N 3.31Å; A413-V415 PolarHBondContact O-N 2.84Å; A413-V416 PolarHBondContact O-N 2.69Å; A413-R417 WeakPolarHBondContact O-CG 3.46Å; A413-R417 PolarHBondContact O-N 3.48Å
414A98.1Very high97.6Very high54 Ų5454.9 Ų54.945%0.44628%0.284SS..Hα-helixtrans-61.7-40.117900000112S410 L411 V416 R417 E418S410-A414 WeakPolarHBondContact O-CB 3.35Å; S410-A414 PolarHBondContact O-N 2.7Å; S410-A414 VanDerWaalsContact O-N 3.08Å; L411-A414 PolarHBondContact O-N 3.4Å; A414-V416 PolarHBondContact O-N 3.09Å; A414-R417 PolarHBondContact O-N 3.3Å; A414-E418 PolarHBondContact O-N 3.1Å
415V98Very high97.8Very high13 Ų1350 Ų508%0.07926%0.262CS..Hα-helixtrans-58.6-47.4173.7175.60000111.2F366 L411 T412 A413 R417 E418 I419 L490 W494F366-V415 HydrophobicContact CE1-CG1 4.33Å; F366-V415 HydrophobicContact CE2-CB 4.06Å; F366-V415 HydrophobicContact CE2-CG1 4.17Å; F366-V415 HydrophobicContact CE2-CG2 3.9Å; F366-V415 HydrophobicContact CZ-CB 3.92Å; F366-V415 HydrophobicContact CZ-CG1 3.96Å; F366-V415 HydrophobicContact CZ-CG2 4.27Å; L411-V415 PolarHBondContact O-N 2.76Å; T412-V415 PolarHBondContact O-N 2.71Å; A413-V415 VanDerWaalsContact C-N 3.31Å; A413-V415 PolarHBondContact O-N 2.84Å; V415-R417 VanDerWaalsContact C-N 3.32Å; V415-R417 PolarHBondContact O-N 3.25Å; V415-E418 PolarHBondContact O-N 3.21Å; V415-I419 HydrophobicContact CG1-CD1 3.68Å; V415-I419 HydrophobicContact CG1-CG1 4.46Å; V415-I419 VanDerWaalsContact O-CG1 3.3Å; V415-I419 WeakPolarHBondContact O-CG1 3.28Å; V415-I419 PolarHBondContact O-N 2.76Å; V415-L490 HydrophobicContact CG1-CD1 3.78Å; V415-W494 HydrophobicContact CG2-CD2 4.43Å; V415-W494 HydrophobicContact CG2-CE3 3.29Å; V415-W494 HydrophobicContact CG2-CH2 4.42Å; V415-W494 HydrophobicContact CG2-CZ3 3.28Å
416V98.4Very high98Very high0 Ų047 Ų470%026%0.259CS..Hα-helixtrans-61.6-40.9178.6167.60000111.7L398 T412 A413 A414 E418 I419 A420 V455 L457 F482L398-V416 HydrophobicContact CD1-CG1 4.28Å; L398-V416 HydrophobicContact CD2-CB 3.86Å; L398-V416 HydrophobicContact CD2-CG1 3.66Å; L398-V416 HydrophobicContact CD2-CG2 4.02Å; L398-V416 HydrophobicContact CG-CG1 4.02Å; T412-V416 PolarHBondContact O-N 3.11Å; A413-V416 PolarHBondContact O-N 2.69Å; A414-V416 PolarHBondContact O-N 3.09Å; V416-E418 VanDerWaalsContact C-N 3.34Å; V416-E418 PolarHBondContact O-N 2.95Å; V416-I419 PolarHBondContact O-N 2.9Å; V416-A420 VanDerWaalsContact O-CB 3.23Å; V416-A420 WeakPolarHBondContact O-CB 3.34Å; V416-A420 PolarHBondContact O-N 3.06Å; V416-V455 HydrophobicContact CG2-CB 4.16Å; V416-V455 HydrophobicContact CG2-CG1 3.63Å; V416-V455 HydrophobicContact CG2-CG2 3.76Å; V416-L457 HydrophobicContact CG1-CD2 4.24Å; V416-L457 HydrophobicContact CG2-CD2 3.94Å; V416-F482 HydrophobicContact CB-CZ 4.43Å; V416-F482 HydrophobicContact CG1-CE2 3.92Å; V416-F482 HydrophobicContact CG1-CZ 3.74Å; V416-F482 HydrophobicContact CG2-CZ 4.32Å
417R98.6Very high98Very high83 Ų8348.9 Ų48.931%0.31327%0.271SS..Hα-helixtrans-61.9-42.3176.8-71.2-177.1-158.5-48.70.5112.3L398 Y400 A413 A414 V415 A420 H421 V427 E429L398-R417 HydrophobicContact CD1-CG 4.49Å; L398-R417 VanDerWaalsContact CD1-NH1 3.32Å; Y400-R417 PolarHBondContact OH-NH2 3.33Å; A413-R417 WeakPolarHBondContact O-CG 3.46Å; A413-R417 PolarHBondContact O-N 3.48Å; A414-R417 PolarHBondContact O-N 3.3Å; V415-R417 VanDerWaalsContact C-N 3.32Å; V415-R417 PolarHBondContact O-N 3.25Å; R417-A420 PolarHBondContact O-N 2.75Å; R417-H421 WeakPolarHBondContact O-CB 3.17Å; R417-H421 PolarHBondContact O-N 2.77Å; R417-V427 VanDerWaalsContact NH1-CG1 3.26Å; R417-E429 IonicContact CZ-OE1 2.74Å; R417-E429 IonicContact NH1-OE1 2.74Å; R417-E429 IonicContact NH2-OE1 3.71Å; R417-E429 PolarHBondContact NH2-OE1 2.84Å
418E98.4Very high98Very high82 Ų8249.9 Ų49.938%0.38328%0.275SS..Hα-helixtrans-65.3-44177.8-172.358.1-156.700111.2A414 V415 V416 A420 H421 L422 L493A414-E418 PolarHBondContact O-N 3.1Å; V415-E418 PolarHBondContact O-N 3.21Å; V416-E418 VanDerWaalsContact C-N 3.34Å; V416-E418 PolarHBondContact O-N 2.95Å; E418-A420 PolarHBondContact O-N 3.18Å; E418-H421 WeakPolarHBondContact O-CB 3.36Å; E418-H421 PolarHBondContact O-N 3.26Å; E418-L422 VanDerWaalsContact O-CG 3.31Å; E418-L422 WeakPolarHBondContact O-CG 3.46Å; E418-L422 PolarHBondContact O-N 2.87Å; E418-L493 HydrophobicContact CB-CD1 4.19Å; E418-L493 HydrophobicContact CG-CD1 3.77Å; E418-L493 HydrophobicContact CG-CD2 3.65Å; E418-L493 HydrophobicContact CG-CG 4.36Å
419I98.6Very high98Very high0 Ų052.8 Ų52.80%029%0.287CS..Hα-helixtrans-63.1-43.7176.9-67.5170.8000111.1V415 V416 H421 L422 C423 F482 Y486 L493V415-I419 HydrophobicContact CG1-CD1 3.68Å; V415-I419 HydrophobicContact CG1-CG1 4.46Å; V415-I419 VanDerWaalsContact O-CG1 3.3Å; V415-I419 WeakPolarHBondContact O-CG1 3.28Å; V415-I419 PolarHBondContact O-N 2.76Å; V416-I419 PolarHBondContact O-N 2.9Å; I419-H421 VanDerWaalsContact C-N 3.31Å; I419-H421 PolarHBondContact O-N 3.44Å; I419-L422 PolarHBondContact O-N 2.8Å; I419-C423 PolarHBondContact O-N 2.96Å; I419-C423 PolarHBondContact O-SG 3.18Å; I419-F482 HydrophobicContact CB-CE2 4.24Å; I419-F482 HydrophobicContact CG2-CD2 4.15Å; I419-F482 HydrophobicContact CG2-CE2 3.79Å; I419-F482 HydrophobicContact CG2-CZ 4.29Å; I419-Y486 HydrophobicContact CD1-CD2 3.65Å; I419-Y486 HydrophobicContact CD1-CE2 4.5Å; I419-L493 HydrophobicContact CD1-CD1 4.37Å; I419-L493 HydrophobicContact CG1-CD1 3.61Å
420A98.6Very high98.1Very high1 Ų150 Ų501%0.00827%0.272CS..Hα-helixtrans-63.9-37176.500000112V396 V416 R417 E418 C423 N424 V425 V427 F482V396-A420 HydrophobicContact CG1-CB 4.46Å; V416-A420 VanDerWaalsContact O-CB 3.23Å; V416-A420 WeakPolarHBondContact O-CB 3.34Å; V416-A420 PolarHBondContact O-N 3.06Å; R417-A420 PolarHBondContact O-N 2.75Å; E418-A420 PolarHBondContact O-N 3.18Å; A420-C423 PolarHBondContact O-N 3.15Å; A420-N424 WeakPolarHBondContact O-CA 3.15Å; A420-N424 PolarHBondContact O-N 3Å; A420-V425 WeakPolarHBondContact CB-O 3.28Å; A420-V425 PolarHBondContact O-N 3.15Å; A420-V427 HydrophobicContact CB-CG2 3.24Å; A420-F482 HydrophobicContact CB-CD2 4.19Å; A420-F482 HydrophobicContact CB-CE2 4.08Å
421H98.5Very high98.1Very high142 Ų14246.8 Ų46.866%0.65725%0.248SC*.Hα-helixtrans-62-47.6172.9-179.960.5000111.6R417 E418 I419 C423 N424R417-H421 WeakPolarHBondContact O-CB 3.17Å; R417-H421 PolarHBondContact O-N 2.77Å; E418-H421 WeakPolarHBondContact O-CB 3.36Å; E418-H421 PolarHBondContact O-N 3.26Å; I419-H421 VanDerWaalsContact C-N 3.31Å; I419-H421 PolarHBondContact O-N 3.44Å; H421-C423 PolarHBondContact O-N 2.9Å; H421-N424 PolarHBondContact O-N 2.9Å
422L98.3Very high98Very high80 Ų8043 Ų4342%0.41923%0.23SC..Hα-helixtrans-59.6-32179.5-70.4171.8000113.4E418 I419 H489 L493E418-L422 VanDerWaalsContact O-CG 3.31Å; E418-L422 WeakPolarHBondContact O-CG 3.46Å; E418-L422 PolarHBondContact O-N 2.87Å; I419-L422 PolarHBondContact O-N 2.8Å; L422-H489 HydrophobicContact CD1-CB 3.89Å; L422-L493 HydrophobicContact CD1-CD1 4.01Å
423C98.2Very high97.9Very high17 Ų1747 Ų4712%0.11525%0.245CC..THydrogen-bonded Turntrans-1067.4-179.667.20000114.9I419 A420 H421 V425 R481I419-C423 PolarHBondContact O-N 2.96Å; I419-C423 PolarHBondContact O-SG 3.18Å; A420-C423 PolarHBondContact O-N 3.15Å; H421-C423 PolarHBondContact O-N 2.9Å; C423-V425 VanDerWaalsContact C-N 3.3Å; C423-V425 PolarHBondContact O-N 3.01Å; C423-V425 VanDerWaalsContact SG-CG2 3.55Å; C423-R481 HydrophobicContact CB-CG 4.01Å; C423-R481 WeakPolarHBondContact O-CD 3.27Å
424N98.1Very high97.6Very high137 Ų13756.6 Ų56.673%0.73329%0.289SS*.THydrogen-bonded Turntrans5245.8-179-165.830000113A420 H421A420-N424 WeakPolarHBondContact O-CA 3.15Å; A420-N424 PolarHBondContact O-N 3Å; H421-N424 PolarHBondContact O-N 2.9Å
425V98.5Very high97.3Very high7 Ų759.3 Ų59.34%0.04230%0.296CS..  trans-102.2125.6172.5172.70000108.3V396 A420 C423 Q478 R481 F482V396-V425 HydrophobicContact CB-CG1 4.47Å; V396-V425 HydrophobicContact CG1-CG1 4.27Å; A420-V425 WeakPolarHBondContact CB-O 3.28Å; A420-V425 PolarHBondContact O-N 3.15Å; C423-V425 VanDerWaalsContact C-N 3.3Å; C423-V425 PolarHBondContact O-N 3.01Å; C423-V425 VanDerWaalsContact SG-CG2 3.55Å; V425-Q478 HydrophobicContact CG1-CB 4.18Å; V425-R481 HydrophobicContact CG2-CB 4.49Å; V425-R481 HydrophobicContact CG2-CG 4.47Å; V425-F482 HydrophobicContact CG1-CB 4.45Å; V425-F482 HydrophobicContact CG2-CB 4.32Å
426P98.2Very high97Very high63 Ų6361.7 Ų61.741%0.40931%0.308SS..  trans-62.4149.7176.9-20.631.8000111.6G395 V396G395-P426 CarbonylContact C-O 3.52Å; G395-P426 VanDerWaalsContact CA-O 3.3Å; G395-P426 WeakPolarHBondContact CA-O 3.24Å; V396-P426 PolarHBondContact N-O 2.68Å
427V98.7Very high96.4Very high48 Ų4870.8 Ų70.829%0.29135%0.35SS..EExtended strand (participates in β ladder)trans-118.1134.1178.3-172.80000109.7V396 L398 R417 A420V396-V427 HydrophobicContact CG1-CB 4.34Å; V396-V427 HydrophobicContact CG1-CG1 4.27Å; V396-V427 HydrophobicContact CG1-CG2 3.88Å; V396-V427 CarbonylContact O-C 3.54Å; V396-V427 WeakPolarHBondContact O-CA 3.5Å; L398-V427 HydrophobicContact CD1-CG1 4Å; L398-V427 HydrophobicContact CG-CG1 4.2Å; R417-V427 VanDerWaalsContact NH1-CG1 3.26Å; A420-V427 HydrophobicContact CB-CG2 3.24Å
428Q98.6Very high95.9Very high28 Ų2868 Ų6813%0.13134%0.343CS..EExtended strand (participates in β ladder)trans-122.1173.3173.8-62.2178.796.300109.8Q391 S394 V396 V397 L398Q391-Q428 PolarHBondContact O-NE2 3.1Å; S394-Q428 VanDerWaalsContact C-NE2 3.29Å; S394-Q428 VanDerWaalsContact O-CD 3.31Å; S394-Q428 VanDerWaalsContact O-CG 3.25Å; S394-Q428 WeakPolarHBondContact O-CG 3.37Å; S394-Q428 PolarHBondContact O-NE2 2.84Å; V396-Q428 PolarHBondContact O-N 3.11Å; V397-Q428 WeakPolarHBondContact CA-O 3.35Å; V397-Q428 HydrophobicContact CG2-CB 4.23Å; L398-Q428 PolarHBondContact N-O 3.38Å
429E98.2Very high95.5Very high71 Ų7166.3 Ų66.333%0.33235%0.348SS..EExtended strand (participates in β ladder)trans-133.3141.9-177.6-58.7176.5-176.500109.7H388 L398 Y400 R417H388-E429 IonicContact CD2-OE2 3.93Å; H388-E429 IonicContact NE2-OE2 3.9Å; L398-E429 CarbonylContact O-C 3.33Å; L398-E429 WeakPolarHBondContact O-CA 3.48Å; Y400-E429 HydrophobicContact CE2-CB 4.29Å; Y400-E429 HydrophobicContact CE2-CG 4.07Å; R417-E429 IonicContact CZ-OE1 2.74Å; R417-E429 IonicContact NH1-OE1 2.74Å; R417-E429 IonicContact NH2-OE1 3.71Å; R417-E429 PolarHBondContact NH2-OE1 2.84Å
430F97.8Very high95.3Very high14 Ų1468.7 Ų68.76%0.06136%0.364CS..EExtended strand (participates in β ladder)trans-123.1126.6173.3176.2-100.7000109.5H374 P390 V397 L398 K399 Y400 Y406H374-F430 HydrophobicContact CB-CE2 4.3Å; H374-F430 AromaticContact CD2-CZ 3.82Å; P390-F430 HydrophobicContact CG-CB 3.98Å; P390-F430 HydrophobicContact CG-CD2 4.14Å; V397-F430 HydrophobicContact CG1-CB 3.57Å; L398-F430 PolarHBondContact O-N 3.08Å; K399-F430 HydrophobicContact CG-CD1 4.49Å; Y400-F430 PolarHBondContact N-O 3.29Å; Y406-F430 HydrophobicContact CE2-CD1 4.1Å; Y406-F430 HydrophobicContact CE2-CE1 4.08Å
431V96.5Very high95.3Very high40 Ų4068.7 Ų68.724%0.24236%0.364CS..EExtended strand (participates in β ladder)trans-131.7126.9169.8179.60000106.1E385 H388E385-V431 WeakPolarHBondContact CB-O 3.26Å; H388-V431 HydrophobicContact CB-CB 4.14Å; H388-V431 HydrophobicContact CB-CG2 4.44Å; H388-V431 VanDerWaalsContact CD2-CG2 3.42Å; H388-V431 WeakPolarHBondContact CD2-CG2 3.45Å
432S94Very high95.3Very high21 Ų2162 Ų6215%0.14733%0.333CS..  trans-64.7143.817358.90000110.1
433R94.4Very high95.2Very high85 Ų8558.2 Ų58.232%0.32131%0.313SS..  trans-56.4146.2166.5-64.5175.451.6108.43.9110.1E382 R383 E385 D435 I436E382-R433 WeakPolarHBondContact O-CD 3.47Å; E382-R433 PolarHBondContact O-NH1 2.85Å; R383-R433 VanDerWaalsContact C-CD 3.46Å; R383-R433 WeakPolarHBondContact O-CD 3.46Å; E385-R433 HydrophobicContact CB-CG 4.21Å; R433-D435 WeakPolarHBondContact CB-OD1 3.48Å; R433-D435 IonicContact CZ-OD1 3.46Å; R433-D435 IonicContact CZ-OD2 3.61Å; R433-D435 IonicContact NE-OD1 2.81Å; R433-D435 PolarHBondContact NE-OD1 2.73Å; R433-D435 IonicContact NE-OD2 3.62Å; R433-D435 IonicContact NH2-OD1 3.26Å; R433-D435 PolarHBondContact NH2-OD1 2.84Å; R433-D435 IonicContact NH2-OD2 2.75Å; R433-D435 PolarHBondContact NH2-OD2 3.48Å; R433-D435 PolarHBondContact O-N 3.42Å; R433-I436 HydrophobicContact CB-CD1 4.38Å; R433-I436 HydrophobicContact CB-CG1 4.39Å; R433-I436 PolarHBondContact O-N 3.13Å
434Q92.3Very high95.2Very high203 Ų20358.1 Ų58.195%0.94931%0.313SS*.THydrogen-bonded Turntrans-70.1-20.3-177.2-63.4-176.21200113.5
435D93.2Very high95.1Very high110 Ų11053.7 Ų53.759%0.58829%0.289SS*.THydrogen-bonded Turntrans-93.97.7-178.864-26.2000113.9R433R433-D435 WeakPolarHBondContact CB-OD1 3.48Å; R433-D435 IonicContact CZ-OD1 3.46Å; R433-D435 IonicContact CZ-OD2 3.61Å; R433-D435 IonicContact NE-OD1 2.81Å; R433-D435 PolarHBondContact NE-OD1 2.73Å; R433-D435 IonicContact NE-OD2 3.62Å; R433-D435 IonicContact NH2-OD1 3.26Å; R433-D435 PolarHBondContact NH2-OD1 2.84Å; R433-D435 IonicContact NH2-OD2 2.75Å; R433-D435 PolarHBondContact NH2-OD2 3.48Å; R433-D435 PolarHBondContact O-N 3.42Å
436I90.1Very high95Very high64 Ų6453.4 Ų53.433%0.32829%0.287SS..SBendtrans-129.2142.7-179.6-56.1178.6000109.4R433 C438R433-I436 HydrophobicContact CB-CD1 4.38Å; R433-I436 HydrophobicContact CB-CG1 4.39Å; R433-I436 PolarHBondContact O-N 3.13Å; I436-C438 PolarHBondContact O-N 3.39Å
437H87.1Confident94.9Very high190 Ų19051.6 Ų51.688%0.8828%0.276SS*.  trans-61.8131.8172.5-70.4-69.2000111.2
438C88Confident94.7Very high25 Ų2553.6 Ų53.617%0.16929%0.292CS..  trans-96.2138.7173.1-172.60000109.5R405 Y406 I436R405-C438 HydrophobicContact CG-CB 4.41Å; Y406-C438 VanDerWaalsContact CE2-SG 3.57Å; Y406-C438 PolarHBondContact OH-SG 3.34Å; I436-C438 PolarHBondContact O-N 3.39Å
439G90.7Very high94.5Very high47 Ų4755 Ų5549%0.48530%0.298SS..  trans-62.7179.416500000111.9R405R405-G439 WeakPolarHBondContact CB-O 3.46Å
440S94.4Very high94.3Very high49 Ų4952 Ų5234%0.34329%0.285SS..  trans-129.1177.4175.7-162.50000108.8R405R405-S440 PolarHBondContact O-OG 2.74Å
441T97.4Very high94.1Very high1 Ų154.2 Ų54.21%0.00631%0.312CS..  trans-134.9-178.9174.363.90000110.2E303 D371 Y406 G443 P444 D456E303-T441 WeakPolarHBondContact OE1-CA 3.32Å; D371-T441 HydrophobicContact CB-CG2 4.32Å; D371-T441 VanDerWaalsContact OD2-CG2 3.23Å; D371-T441 WeakPolarHBondContact OD2-CG2 3.48Å; Y406-T441 HydrophobicContact CD1-CG2 3.63Å; Y406-T441 HydrophobicContact CE1-CG2 3.55Å; T441-G443 PolarHBondContact O-N 3.14Å; T441-G443 PolarHBondContact OG1-N 3.26Å; T441-P444 VanDerWaalsContact OG1-CD 3.28Å; T441-P444 WeakPolarHBondContact OG1-CD 3.32Å; T441-D456 WeakPolarHBondContact CB-OD1 3.39Å; T441-D456 PolarHBondContact OG1-OD1 2.93Å
442I98Very high94.1Very high2 Ų252.6 Ų52.61%0.0130%0.302CS..Hα-helixtrans-65-16.7165.766.3176.7000114.5F300 E303 A313 S369 L445 L446F300-I442 HydrophobicContact CD2-CD1 3.88Å; F300-I442 HydrophobicContact CE2-CD1 4.12Å; E303-I442 HydrophobicContact CB-CG2 4.46Å; E303-I442 HydrophobicContact CG-CG2 3.4Å; A313-I442 HydrophobicContact CB-CB 3.64Å; A313-I442 HydrophobicContact CB-CG2 3.43Å; A313-I442 VanDerWaalsContact CB-CG2 3.43Å; S369-I442 WeakPolarHBondContact OG-CG1 3.36Å; I442-L445 PolarHBondContact O-N 3.42Å; I442-L446 HydrophobicContact CB-CD1 4.12Å; I442-L446 HydrophobicContact CD1-CD1 3.89Å; I442-L446 HydrophobicContact CG1-CD1 4.09Å; I442-L446 WeakPolarHBondContact O-CB 3.32Å; I442-L446 PolarHBondContact O-N 3.32Å
443G97.9Very high94.2Very high0 Ų053.5 Ų53.50%031%0.307CS..Hα-helixtrans-59.8-58-171.900000113.2S369 T441 L445 S447S369-G443 VanDerWaalsContact CB-CA 3.49Å; S369-G443 WeakPolarHBondContact OG-CA 3.31Å; S369-G443 PolarHBondContact OG-N 3.08Å; S369-G443 VanDerWaalsContact OG-N 3.17Å; T441-G443 PolarHBondContact O-N 3.14Å; T441-G443 PolarHBondContact OG1-N 3.26Å; G443-L445 VanDerWaalsContact C-N 3.26Å; G443-L445 PolarHBondContact O-N 3.16Å; G443-S447 WeakPolarHBondContact O-CB 3.32Å; G443-S447 PolarHBondContact O-N 3.35Å; G443-S447 PolarHBondContact O-OG 3.12Å; G443-S447 VanDerWaalsContact O-OG 3.07Å
444P97.5Very high94.4Very high16 Ų1649.6 Ų49.610%0.10429%0.293CS..Hα-helixtrans-55-41173.2-26.834.6000113.1Q404 R405 A407 T441 S447 S448Q404-P444 WeakPolarHBondContact O-CB 3.45Å; Q404-P444 WeakPolarHBondContact O-CG 3.23Å; R405-P444 WeakPolarHBondContact O-CG 3.25Å; A407-P444 HydrophobicContact CB-CG 4.44Å; T441-P444 VanDerWaalsContact OG1-CD 3.28Å; T441-P444 WeakPolarHBondContact OG1-CD 3.32Å; P444-S447 WeakPolarHBondContact CA-OG 3.25Å; P444-S447 PolarHBondContact O-OG 2.96Å; P444-S448 WeakPolarHBondContact O-CB 3.29Å; P444-S448 PolarHBondContact O-N 3.29Å; P444-S448 PolarHBondContact O-OG 3.43Å
445L96.8Very high94.7Very high43 Ų4340 Ų4023%0.22525%0.248CC..Hα-helixtrans-63.3-57.3-177.7-54.3176.4000110.8D314 I442 G443 S447 S448 Q449D314-L445 HydrophobicContact CB-CB 4.17Å; D314-L445 HydrophobicContact CB-CD1 4.09Å; D314-L445 HydrophobicContact CB-CD2 4.48Å; D314-L445 HydrophobicContact CB-CG 4.47Å; I442-L445 PolarHBondContact O-N 3.42Å; G443-L445 VanDerWaalsContact C-N 3.26Å; G443-L445 PolarHBondContact O-N 3.16Å; L445-S447 PolarHBondContact O-N 3.2Å; L445-S448 PolarHBondContact O-N 3.42Å; L445-S448 PolarHBondContact O-OG 2.99Å; L445-Q449 WeakPolarHBondContact O-CG 3.46Å; L445-Q449 PolarHBondContact O-N 3.48Å
446L96.4Very high95Very high2 Ų234.7 Ų34.71%0.0122%0.22CC..Hα-helixtrans-64.5-40.3179.2-73.3169.4000112.6F300 A313 T318 L367 I442 S448 Q449 L450F300-L446 HydrophobicContact CE2-CD1 3.66Å; F300-L446 HydrophobicContact CE2-CD2 4.44Å; F300-L446 HydrophobicContact CZ-CD1 4.09Å; F300-L446 HydrophobicContact CZ-CD2 4.07Å; A313-L446 HydrophobicContact CB-CD1 4.22Å; A313-L446 HydrophobicContact CB-CD2 4.26Å; A313-L446 HydrophobicContact CB-CG 4.05Å; A313-L446 WeakPolarHBondContact O-CD2 3.16Å; T318-L446 HydrophobicContact CG2-CD2 4.31Å; L367-L446 HydrophobicContact CD2-CB 3.49Å; L367-L446 VanDerWaalsContact CD2-CB 3.49Å; L367-L446 HydrophobicContact CD2-CD1 3.91Å; L367-L446 HydrophobicContact CD2-CG 4.35Å; I442-L446 HydrophobicContact CB-CD1 4.12Å; I442-L446 HydrophobicContact CD1-CD1 3.89Å; I442-L446 HydrophobicContact CG1-CD1 4.09Å; I442-L446 WeakPolarHBondContact O-CB 3.32Å; I442-L446 PolarHBondContact O-N 3.32Å; L446-S448 VanDerWaalsContact C-N 3.28Å; L446-S448 PolarHBondContact O-N 3.07Å; L446-Q449 PolarHBondContact O-N 3.1Å; L446-L450 HydrophobicContact CB-CD1 4.49Å; L446-L450 VanDerWaalsContact O-CB 3.32Å; L446-L450 WeakPolarHBondContact O-CB 3.49Å; L446-L450 WeakPolarHBondContact O-CG 3.48Å; L446-L450 PolarHBondContact O-N 2.92Å
447S95.6Very high95.4Very high24 Ų2431.7 Ų31.717%0.16820%0.204CC..Hα-helixtrans-60.9-39.8179.172.80000111.7G443 P444 L445 Q449 G451 T454G443-S447 WeakPolarHBondContact O-CB 3.32Å; G443-S447 PolarHBondContact O-N 3.35Å; G443-S447 PolarHBondContact O-OG 3.12Å; G443-S447 VanDerWaalsContact O-OG 3.07Å; P444-S447 WeakPolarHBondContact CA-OG 3.25Å; P444-S447 PolarHBondContact O-OG 2.96Å; L445-S447 PolarHBondContact O-N 3.2Å; S447-Q449 PolarHBondContact O-N 2.88Å; S447-G451 WeakPolarHBondContact O-CA 3.49Å; S447-G451 PolarHBondContact O-N 3.26Å; S447-T454 VanDerWaalsContact CB-OG1 3.22Å; S447-T454 WeakPolarHBondContact CB-OG1 3.33Å
448S94.7Very high96Very high90 Ų9022.6 Ų22.663%0.62916%0.162SC*.Hα-helixtrans-68-34.3179.277.20000112.9P444 L445 L446P444-S448 WeakPolarHBondContact O-CB 3.29Å; P444-S448 PolarHBondContact O-N 3.29Å; P444-S448 PolarHBondContact O-OG 3.43Å; L445-S448 PolarHBondContact O-N 3.42Å; L445-S448 PolarHBondContact O-OG 2.99Å; L446-S448 VanDerWaalsContact C-N 3.28Å; L446-S448 PolarHBondContact O-N 3.07Å
449Q93.1Very high96.5Very high58 Ų5821.4 Ų21.427%0.27115%0.154SC..Hα-helixtrans-83-39-180-65.8-168.2-3.400113.1D314 S315 L445 L446 S447D314-Q449 PolarHBondContact O-NE2 2.79Å; D314-Q449 PolarHBondContact OD1-NE2 2.99Å; S315-Q449 PolarHBondContact O-OE1 2.86Å; L445-Q449 WeakPolarHBondContact O-CG 3.46Å; L445-Q449 PolarHBondContact O-N 3.48Å; L446-Q449 PolarHBondContact O-N 3.1Å; S447-Q449 PolarHBondContact O-N 2.88Å
450L94.9Very high96.8Very high8 Ų819.2 Ų19.24%0.04213%0.131CC..Hα-helixtrans-88.9-22.8-175.9-60.6179.6000112.9L77 T318 L319 I322 L446 V452L77-L450 HydrophobicContact CD2-CD1 4.25Å; T318-L450 HydrophobicContact CG2-CD1 4.25Å; T318-L450 HydrophobicContact CG2-CD2 4.39Å; L319-L450 HydrophobicContact CB-CD2 4.03Å; L319-L450 HydrophobicContact CD1-CD2 3.71Å; I322-L450 HydrophobicContact CD1-CD1 4.25Å; I322-L450 HydrophobicContact CD1-CD2 4Å; L446-L450 HydrophobicContact CB-CD1 4.49Å; L446-L450 VanDerWaalsContact O-CB 3.32Å; L446-L450 WeakPolarHBondContact O-CB 3.49Å; L446-L450 WeakPolarHBondContact O-CG 3.48Å; L446-L450 PolarHBondContact O-N 2.92Å; L450-V452 HydrophobicContact CB-CB 4.1Å; L450-V452 HydrophobicContact CB-CG2 3.75Å; L450-V452 PolarHBondContact O-N 3.03Å
451G94.1Very high97Very high61 Ų6117 Ų1763%0.62912%0.115SC*.  trans65.826.2-170.700000113S447S447-G451 WeakPolarHBondContact O-CA 3.49Å; S447-G451 PolarHBondContact O-N 3.26Å
452V95.5Very high97.1Very high5 Ų518.3 Ų18.33%0.0312%0.122CC..  trans-101.7133.1-174.3172.20000110.6L362 L367 L450 T454L362-V452 HydrophobicContact CB-CG2 4.42Å; L362-V452 HydrophobicContact CD2-CG2 4.15Å; L367-V452 HydrophobicContact CB-CG1 4.02Å; L450-V452 HydrophobicContact CB-CB 4.1Å; L450-V452 HydrophobicContact CB-CG2 3.75Å; L450-V452 PolarHBondContact O-N 3.03Å; V452-T454 PolarHBondContact O-N 2.88Å; V452-T454 PolarHBondContact O-OG1 3.05Å
453P96.9Very high97.1Very high41 Ų4120.4 Ų20.427%0.26614%0.14SC..  trans-53122.8171-31.441.5000111.3F366 L367 T412 W494F366-P453 HydrophobicContact CD2-CB 4.14Å; F366-P453 HydrophobicContact CE2-CB 4.47Å; L367-P453 PolarHBondContact N-O 2.96Å; T412-P453 HydrophobicContact CG2-CB 3.97Å; P453-W494 HydrophobicContact CB-CH2 4.08Å; P453-W494 HydrophobicContact CB-CZ2 3.53Å; P453-W494 HydrophobicContact CG-CZ2 3.71Å
454T98.3Very high97.1Very high3 Ų321.9 Ų21.92%0.01815%0.147CC..EExtended strand (participates in β ladder)trans-127.1143.8-168.8-59.50000111.6L367 A407 T412 S447 V452L367-T454 HydrophobicContact CB-CG2 4.18Å; L367-T454 HydrophobicContact CD2-CG2 3.83Å; L367-T454 HydrophobicContact CG-CG2 3.88Å; L367-T454 CarbonylContact O-C 3.58Å; L367-T454 VanDerWaalsContact O-CA 3.26Å; L367-T454 WeakPolarHBondContact O-CA 3.44Å; A407-T454 CarbonylContact C-O 3.58Å; A407-T454 HydrophobicContact CB-CG2 3.92Å; T412-T454 WeakPolarHBondContact CB-O 3.12Å; T412-T454 WeakPolarHBondContact CG2-O 3.25Å; T412-T454 PolarHBondContact OG1-O 2.89Å; S447-T454 VanDerWaalsContact CB-OG1 3.22Å; S447-T454 WeakPolarHBondContact CB-OG1 3.33Å; V452-T454 PolarHBondContact O-N 2.88Å; V452-T454 PolarHBondContact O-OG1 3.05Å
455V98.7Very high97.1Very high0 Ų023 Ų230%015%0.151CC..EExtended strand (participates in β ladder)trans-124.5138.4170.564.50000109.9F366 L367 V368 S369 L398 T408 V416 L457F366-V455 HydrophobicContact CE1-CB 4.37Å; F366-V455 HydrophobicContact CE1-CG1 3.63Å; F366-V455 HydrophobicContact CZ-CB 4.3Å; F366-V455 HydrophobicContact CZ-CG1 4.02Å; L367-V455 PolarHBondContact O-N 3.1Å; V368-V455 HydrophobicContact CB-CG1 4.31Å; V368-V455 HydrophobicContact CG2-CG1 3.71Å; S369-V455 PolarHBondContact N-O 3.12Å; L398-V455 HydrophobicContact CD2-CG2 3.39Å; T408-V455 HydrophobicContact CG2-CG2 3.96Å; V416-V455 HydrophobicContact CG2-CB 4.16Å; V416-V455 HydrophobicContact CG2-CG1 3.63Å; V416-V455 HydrophobicContact CG2-CG2 3.76Å; V455-L457 HydrophobicContact CG1-CD2 4.23Å
456D98.8Very high97.2Very high0 Ų021.8 Ų21.80%015%0.146CC..EExtended strand (participates in β ladder)trans-101.3126.4171-71.8-81.4000109.9S369 K399 Y406 A407 T408 T441S369-D456 WeakPolarHBondContact CB-OD1 3.33Å; S369-D456 WeakPolarHBondContact O-CA 3.39Å; S369-D456 PolarHBondContact OG-OD1 3.04Å; K399-D456 HydrophobicContact CB-CB 4.08Å; K399-D456 PolarHBondContact N-O 2.73Å; Y406-D456 WeakPolarHBondContact CA-OD2 3.24Å; Y406-D456 HydrophobicContact CD1-CB 3.97Å; Y406-D456 HydrophobicContact CG-CB 4.21Å; A407-D456 PolarHBondContact N-OD2 2.93Å; T408-D456 PolarHBondContact OG1-N 3.14Å; T408-D456 PolarHBondContact OG1-O 3.02Å; T441-D456 WeakPolarHBondContact CB-OD1 3.39Å; T441-D456 PolarHBondContact OG1-OD1 2.93Å
457L98.8Very high97.2Very high0 Ų021.9 Ų21.90%015%0.147CC..EExtended strand (participates in β ladder)trans-147.5164.6179.262.179.2000111.5V368 S369 A370 D371 V396 V397 L398 V416 V455 F482 F483V368-L457 HydrophobicContact CG1-CD1 3.99Å; V368-L457 HydrophobicContact CG1-CD2 3.77Å; V368-L457 HydrophobicContact CG1-CG 3.83Å; V368-L457 HydrophobicContact CG2-CD2 4.49Å; S369-L457 PolarHBondContact O-N 2.87Å; A370-L457 WeakPolarHBondContact CA-O 3.37Å; A370-L457 HydrophobicContact CB-CD1 4.37Å; D371-L457 PolarHBondContact N-O 2.95Å; D371-L457 CarbonylContact O-C 3.6Å; V396-L457 HydrophobicContact CG2-CB 4Å; V396-L457 HydrophobicContact CG2-CD1 3.9Å; V396-L457 HydrophobicContact CG2-CD2 4.12Å; V396-L457 HydrophobicContact CG2-CG 4.23Å; V397-L457 CarbonylContact O-C 3.53Å; V397-L457 WeakPolarHBondContact O-CA 3.33Å; V397-L457 WeakPolarHBondContact O-CB 3.42Å; L398-L457 HydrophobicContact CD2-CB 4.45Å; V416-L457 HydrophobicContact CG1-CD2 4.24Å; V416-L457 HydrophobicContact CG2-CD2 3.94Å; V455-L457 HydrophobicContact CG1-CD2 4.23Å; L457-F482 HydrophobicContact CD1-CE1 4.34Å; L457-F482 HydrophobicContact CD2-CE1 3.63Å; L457-F482 HydrophobicContact CD2-CZ 3.81Å; L457-F483 HydrophobicContact CD1-CE1 3.86Å; L457-F483 HydrophobicContact CD1-CZ 4.02Å
458G98.6Very high97.3Very high0 Ų022.1 Ų22.10%014%0.144CC..EExtended strand (participates in β ladder)trans-158.1-173.3178.900000112.6D371 V397D371-G458 WeakPolarHBondContact O-CA 3.08Å; V397-G458 PolarHBondContact N-O 2.72Å; V397-G458 PolarHBondContact O-N 2.88Å
459F98.8Very high97.5Very high0 Ų018 Ų180%012%0.115CC..  trans-120.7150.2171.5-68.9-90.4000109F272 Q372 A373 V396 Q461 Q478 A479 F482 F483F272-F459 HydrophobicContact CD1-CB 4.43Å; F272-F459 HydrophobicContact CD1-CD2 4.45Å; F272-F459 HydrophobicContact CE1-CB 3.62Å; F272-F459 AromaticContact CE1-CD2 3.63Å; F272-F459 HydrophobicContact CE1-CD2 3.63Å; F272-F459 AromaticContact CE1-CG 3.67Å; F272-F459 HydrophobicContact CE1-CG 3.67Å; F272-F459 HydrophobicContact CZ-CB 3.76Å; F272-F459 HydrophobicContact CZ-CD2 4.39Å; F272-F459 AromaticContact CZ-CG 3.99Å; F272-F459 HydrophobicContact CZ-CG 3.99Å; Q372-F459 PolarHBondContact OE1-O 3.08Å; A373-F459 PolarHBondContact N-O 3.07Å; V396-F459 HydrophobicContact CB-CE1 3.88Å; V396-F459 HydrophobicContact CB-CZ 3.79Å; V396-F459 HydrophobicContact CG2-CE1 4.44Å; V396-F459 HydrophobicContact CG2-CE2 4.34Å; V396-F459 HydrophobicContact CG2-CZ 3.94Å; F459-Q461 PolarHBondContact O-N 2.86Å; F459-Q478 HydrophobicContact CE1-CB 4.24Å; F459-A479 HydrophobicContact CD1-CB 4.05Å; F459-A479 HydrophobicContact CD2-CB 3.65Å; F459-A479 HydrophobicContact CE1-CB 3.75Å; F459-A479 HydrophobicContact CE2-CB 3.34Å; F459-A479 HydrophobicContact CG-CB 4.02Å; F459-A479 HydrophobicContact CZ-CB 3.42Å; F459-A479 VanDerWaalsContact CZ-CB 3.42Å; F459-F482 HydrophobicContact CZ-CB 4.48Å; F459-F483 HydrophobicContact CE2-CE2 4.08Å; F459-F483 AromaticContact CE2-CZ 3.95Å; F459-F483 HydrophobicContact CE2-CZ 3.95Å
460P98.4Very high97.8Very high0 Ų016.9 Ų16.90%011%0.111CC..EExtended strand (participates in β ladder)trans-73.6126.7-169.629.4-36000111.3A373 A375 P390 Q391 F392 V397A373-P460 CarbonylContact O-C 3.59Å; A373-P460 WeakPolarHBondContact O-CA 3.41Å; A375-P460 HydrophobicContact CB-CB 3.85Å; P390-P460 HydrophobicContact CB-CB 4.33Å; Q391-P460 VanDerWaalsContact O-CG 3.27Å; Q391-P460 WeakPolarHBondContact O-CG 3.39Å; F392-P460 HydrophobicContact CD1-CB 4Å; F392-P460 HydrophobicContact CD1-CG 4.14Å; F392-P460 HydrophobicContact CE1-CB 4.39Å; F392-P460 VanDerWaalsContact CE1-O 3.3Å; F392-P460 WeakPolarHBondContact CE1-O 3.49Å; V397-P460 HydrophobicContact CG2-CB 4.48Å
461Q98.4Very high97.9Very high2 Ų216.5 Ų16.51%0.00911%0.109CC..EExtended strand (participates in β ladder)trans-133.3161.2172.372.6173.22.900112.6Q372 A373 A375 F459 M464 L470 C471Q372-Q461 HydrophobicContact CB-CG 3.95Å; Q372-Q461 HydrophobicContact CG-CG 4.34Å; A373-Q461 PolarHBondContact O-N 3.16Å; A375-Q461 WeakPolarHBondContact CB-O 3.41Å; A375-Q461 PolarHBondContact N-O 3.46Å; F459-Q461 PolarHBondContact O-N 2.86Å; Q461-M464 HydrophobicContact CG-CB 4.45Å; Q461-M464 HydrophobicContact CG-CE 4.37Å; Q461-L470 CarbonylContact C-O 3.44Å; Q461-L470 WeakPolarHBondContact CA-O 3.2Å; Q461-C471 HydrophobicContact CB-CB 4.14Å
462L98.5Very high98.1Very high29 Ų2913.6 Ų13.615%0.1528%0.079CC..EExtended strand (participates in β ladder)trans-116.2155.4173.3-68.1172.9000109.8A375 H377 F392 M464 L470A375-L462 HydrophobicContact CB-CD2 3.87Å; A375-L462 HydrophobicContact CB-CG 4.06Å; H377-L462 HydrophobicContact CB-CD2 4.35Å; F392-L462 HydrophobicContact CE1-CG 4.18Å; F392-L462 HydrophobicContact CE2-CD1 4.01Å; F392-L462 HydrophobicContact CZ-CB 4.34Å; F392-L462 HydrophobicContact CZ-CD1 3.69Å; F392-L462 HydrophobicContact CZ-CG 3.7Å; L462-M464 VanDerWaalsContact C-N 3.26Å; L462-M464 PolarHBondContact O-N 2.82Å; L462-L470 HydrophobicContact CB-CB 4.22Å; L462-L470 HydrophobicContact CB-CD2 4.49Å; L462-L470 HydrophobicContact CD1-CD2 4.1Å; L462-L470 PolarHBondContact N-O 3.45Å; L462-L470 PolarHBondContact O-N 3.32Å
463A97.8Very high98.2Very high47 Ų4714.3 Ų14.339%0.3888%0.084SC..SBendtrans58.332.5178.300000114.4H465 S466 E469A463-H465 PolarHBondContact O-N 3.26Å; A463-S466 WeakPolarHBondContact O-CB 3.49Å; A463-S466 PolarHBondContact O-N 3.32Å; A463-E469 WeakPolarHBondContact O-CG 3.41Å
464M98Very high98.2Very high30 Ų3014.8 Ų14.815%0.1489%0.086CC..THydrogen-bonded Turntrans-46.7137171179.9-176.2-83.700111.1D269 Q372 H374 Q461 L462 S466 E469D269-M464 HydrophobicContact CB-CG 4.27Å; D269-M464 VanDerWaalsContact OD2-CE 3.29Å; D269-M464 WeakPolarHBondContact OD2-CE 3.31Å; D269-M464 WeakPolarHBondContact OD2-CG 3.4Å; Q372-M464 HydrophobicContact CB-CE 3.73Å; H374-M464 PolarHBondContact CE1-SD 3.29Å; Q461-M464 HydrophobicContact CG-CB 4.45Å; Q461-M464 HydrophobicContact CG-CE 4.37Å; L462-M464 VanDerWaalsContact C-N 3.26Å; L462-M464 PolarHBondContact O-N 2.82Å; M464-S466 PolarHBondContact O-N 3.32Å; M464-E469 WeakPolarHBondContact CA-OE1 3.13Å
465H97.9Very high98.2Very high41 Ų4114.6 Ų14.619%0.199%0.085CC..THydrogen-bonded Turntrans66.211.2-174.7-61.1-167.5000114.9P85 G110 L112 D269 E304 A463 E469P85-H465 HydrophobicContact CG-CB 4.05Å; G110-H465 PolarHBondContact O-ND1 3.3Å; L112-H465 HydrophobicContact CG-CB 4.48Å; L112-H465 PolarHBondContact N-O 3Å; D269-H465 IonicContact OD2-CD2 2.66Å; D269-H465 IonicContact OD2-NE2 3.96Å; D269-H465 PolarHBondContact OD2-NE2 2.96Å; E304-H465 IonicContact OE1-NE2 3.7Å; E304-H465 PolarHBondContact OE1-NE2 3.48Å; E304-H465 IonicContact OE2-CE1 2.76Å; E304-H465 PolarHBondContact OE2-CE1 3.14Å; E304-H465 IonicContact OE2-NE2 3.75Å; E304-H465 PolarHBondContact OE2-NE2 3.48Å; A463-H465 PolarHBondContact O-N 3.26Å; H465-E469 PolarHBondContact N-OE1 3.09Å
466S98.2Very high98.2Very high17 Ų1714.6 Ų14.612%0.1199%0.085CC..SBendtrans-74.2154166.1-173.60000110.8T115 A463 M464 R468T115-S466 WeakPolarHBondContact CB-OG 3.36Å; T115-S466 WeakPolarHBondContact CG2-OG 3.31Å; T115-S466 PolarHBondContact OG1-OG 3.48Å; A463-S466 WeakPolarHBondContact O-CB 3.49Å; A463-S466 PolarHBondContact O-N 3.32Å; M464-S466 PolarHBondContact O-N 3.32Å; S466-R468 WeakPolarHBondContact CB-O 3.44Å; S466-R468 PolarHBondContact O-N 2.82Å; S466-R468 VanDerWaalsContact O-N 3.07Å; S466-R468 PolarHBondContact OG-N 3.28Å; S466-R468 PolarHBondContact OG-O 2.78Å
467C98Very high98.1Very high3 Ų317.1 Ų17.12%0.0210%0.096CC..SBendtrans-51.7-27.1163.3-167.70000111.5T115 W116 P266T115-C467 WeakPolarHBondContact O-CB 3.28Å; T115-C467 PolarHBondContact OG1-N 3Å; W116-C467 HydrophobicContact CD2-CB 4.09Å; W116-C467 HydrophobicContact CG-CB 3.98Å; P266-C467 WeakPolarHBondContact CB-O 3.28Å
468R97.6Very high98.1Very high29 Ų2918.5 Ų18.511%0.10910%0.103CC..SBendtrans-144.7119.9175.6-160.3172.8-171.383.74.3112.5D249 Q251 P252 H264 S466D249-R468 IonicContact OD2-CZ 2.59Å; D249-R468 IonicContact OD2-NH1 2.79Å; D249-R468 PolarHBondContact OD2-NH1 2.82Å; Q251-R468 VanDerWaalsContact CD-CZ 3.48Å; Q251-R468 PolarHBondContact O-NH1 2.93Å; P252-R468 PolarHBondContact O-NH2 2.95Å; H264-R468 PolarHBondContact O-NH2 2.94Å; S466-R468 WeakPolarHBondContact CB-O 3.44Å; S466-R468 PolarHBondContact O-N 2.82Å; S466-R468 VanDerWaalsContact O-N 3.07Å; S466-R468 PolarHBondContact OG-N 3.28Å; S466-R468 PolarHBondContact OG-O 2.78Å
469E98.6Very high98.1Very high4 Ų418.5 Ų18.52%0.01910%0.103CC..EExtended strand (participates in β ladder)trans-107.6175.1-171-48.1-178.2137.500111A265 L268 D269 A463 M464 H465A265-E469 PolarHBondContact N-O 2.94Å; A265-E469 WeakPolarHBondContact O-CA 3.47Å; A265-E469 WeakPolarHBondContact O-CB 3.22Å; A265-E469 PolarHBondContact O-N 2.88Å; L268-E469 VanDerWaalsContact CA-OE2 3.29Å; L268-E469 WeakPolarHBondContact CA-OE2 3.15Å; L268-E469 HydrophobicContact CB-CB 4.28Å; L268-E469 VanDerWaalsContact CB-OE2 3.22Å; L268-E469 WeakPolarHBondContact CB-OE2 3.32Å; L268-E469 HydrophobicContact CD1-CB 3.87Å; L268-E469 HydrophobicContact CG-CB 4.24Å; L268-E469 PolarHBondContact N-OE2 3.48Å; D269-E469 PolarHBondContact N-OE2 3.25Å; A463-E469 WeakPolarHBondContact O-CG 3.41Å; M464-E469 WeakPolarHBondContact CA-OE1 3.13Å; H465-E469 PolarHBondContact N-OE1 3.09Å
470L98.4Very high98.1Very high35 Ų3518.6 Ų18.618%0.18310%0.104CC..EExtended strand (participates in β ladder)trans-143.3125.5-174.1-179.967.6000111.9F262 I263 F392 Q461 L462F262-L470 HydrophobicContact CB-CD1 3.63Å; F262-L470 HydrophobicContact CD1-CD1 4.49Å; F262-L470 HydrophobicContact CG-CD1 4.02Å; I263-L470 WeakPolarHBondContact O-CA 3.36Å; F392-L470 HydrophobicContact CE2-CG 4.46Å; F392-L470 HydrophobicContact CZ-CG 4.41Å; Q461-L470 CarbonylContact C-O 3.44Å; Q461-L470 WeakPolarHBondContact CA-O 3.2Å; L462-L470 HydrophobicContact CB-CB 4.22Å; L462-L470 HydrophobicContact CB-CD2 4.49Å; L462-L470 HydrophobicContact CD1-CD2 4.1Å; L462-L470 PolarHBondContact N-O 3.45Å; L462-L470 PolarHBondContact O-N 3.32Å
471C98.5Very high98.1Very high0 Ų024.7 Ų24.70%013%0.127CC..EExtended strand (participates in β ladder)trans-131.6170.6166.673.30000111.1F262 I263 L268 Q461F262-C471 CarbonylContact C-O 3.5Å; F262-C471 WeakPolarHBondContact CA-O 3.23Å; I263-C471 PolarHBondContact N-O 3.01Å; I263-C471 PolarHBondContact O-N 3.17Å; I263-C471 VanDerWaalsContact O-N 3.16Å; L268-C471 HydrophobicContact CD1-CB 3.92Å; Q461-C471 HydrophobicContact CB-CB 4.14Å
472C98Very high98.1Very high0 Ų024.6 Ų24.60%013%0.126CC..EExtended strand (participates in β ladder)trans-87.4145.2176.181.30000112.3E261 F392 H393 T474 S475E261-C472 CarbonylContact O-C 3.39Å; E261-C472 WeakPolarHBondContact O-CA 3.41Å; F392-C472 HydrophobicContact CB-CB 3.66Å; F392-C472 HydrophobicContact CD1-CB 4.21Å; F392-C472 HydrophobicContact CD2-CB 3.77Å; F392-C472 HydrophobicContact CE2-CB 4.41Å; F392-C472 HydrophobicContact CG-CB 3.64Å; H393-C472 PolarHBondContact N-SG 3.16Å; C472-T474 PolarHBondContact O-N 2.96Å; C472-T474 PolarHBondContact SG-OG1 2.89Å; C472-T474 VanDerWaalsContact SG-OG1 3.36Å; C472-S475 WeakPolarHBondContact O-CB 3.19Å; C472-S475 PolarHBondContact O-N 3.31Å; C472-S475 PolarHBondContact SG-OG 3.5Å
473S97Very high98.2Very high19 Ų1923.2 Ų23.213%0.13312%0.119CC..Hα-helixtrans-68.6-21.4-173.865.50000113.6V5 E261 I476V5-S473 VanDerWaalsContact CG2-O 3.24Å; V5-S473 WeakPolarHBondContact CG2-O 3.41Å; E261-S473 WeakPolarHBondContact CA-OG 3.3Å; E261-S473 PolarHBondContact O-N 3.14Å; E261-S473 PolarHBondContact O-OG 2.89Å; S473-I476 WeakPolarHBondContact O-CG2 3.29Å
474T97.3Very high98.2Very high51 Ų5121.6 Ų21.631%0.31311%0.105SC..Hα-helixtrans-77.8-25.617659.20000112.7H393 C472 I476 E477 Q478H393-T474 WeakPolarHBondContact CA-OG1 3.08Å; H393-T474 PolarHBondContact ND1-OG1 3.44Å; C472-T474 PolarHBondContact O-N 2.96Å; C472-T474 PolarHBondContact SG-OG1 2.89Å; C472-T474 VanDerWaalsContact SG-OG1 3.36Å; T474-I476 VanDerWaalsContact C-N 3.26Å; T474-I476 PolarHBondContact O-N 3.37Å; T474-E477 PolarHBondContact O-N 3.09Å; T474-Q478 WeakPolarHBondContact O-CG 3.39Å; T474-Q478 PolarHBondContact O-N 3.34Å; T474-Q478 VanDerWaalsContact O-N 3.12Å
475S97.8Very high98.2Very high0 Ų020.4 Ų20.40%010%0.1CC..Hα-helixtrans-61.2-36.1-176.4-75.80000111.8C472 Q478 A479C472-S475 WeakPolarHBondContact O-CB 3.19Å; C472-S475 PolarHBondContact O-N 3.31Å; C472-S475 PolarHBondContact SG-OG 3.5Å; S475-Q478 PolarHBondContact O-N 2.95Å; S475-A479 VanDerWaalsContact O-CB 3.29Å; S475-A479 WeakPolarHBondContact O-CB 3.1Å; S475-A479 PolarHBondContact O-N 3.34Å
476I98.4Very high98.3Very high0 Ų018.5 Ų18.50%09%0.091CC..Hα-helixtrans-68.2-38.4-177.3-165.258.4000112.5H4 V5 L8 F272 Y275 A276 S473 T474 A479 V480H4-I476 HydrophobicContact CB-CG1 4.1Å; H4-I476 HydrophobicContact CB-CG2 4.1Å; V5-I476 HydrophobicContact CB-CG2 4.45Å; V5-I476 HydrophobicContact CG2-CG2 3.63Å; L8-I476 HydrophobicContact CB-CD1 4.46Å; L8-I476 HydrophobicContact CB-CG1 4.15Å; L8-I476 HydrophobicContact CD2-CB 4.4Å; L8-I476 HydrophobicContact CD2-CD1 3.88Å; L8-I476 HydrophobicContact CD2-CG1 3.99Å; F272-I476 HydrophobicContact CD1-CD1 4.17Å; F272-I476 HydrophobicContact CD2-CD1 3.96Å; F272-I476 HydrophobicContact CE1-CD1 3.94Å; F272-I476 HydrophobicContact CE2-CB 3.9Å; F272-I476 HydrophobicContact CE2-CD1 3.73Å; F272-I476 HydrophobicContact CE2-CG1 4.4Å; F272-I476 HydrophobicContact CG-CD1 4.19Å; F272-I476 HydrophobicContact CZ-CB 4.08Å; F272-I476 HydrophobicContact CZ-CD1 3.73Å; Y275-I476 HydrophobicContact CD1-CD1 3.7Å; Y275-I476 HydrophobicContact CD1-CG1 4.07Å; Y275-I476 HydrophobicContact CE1-CD1 4.15Å; Y275-I476 HydrophobicContact CE1-CG1 4.02Å; A276-I476 HydrophobicContact CB-CD1 3.95Å; S473-I476 WeakPolarHBondContact O-CG2 3.29Å; T474-I476 VanDerWaalsContact C-N 3.26Å; T474-I476 PolarHBondContact O-N 3.37Å; I476-A479 PolarHBondContact O-N 3.12Å; I476-V480 WeakPolarHBondContact O-CG2 3.44Å; I476-V480 PolarHBondContact O-N 3.33Å
477E97.6Very high98.3Very high52 Ų5217.7 Ų17.724%0.2439%0.085CC..Hα-helixtrans-66.8-41.4174.2-68.2-68.8158.600111.4S2 H4 T474 A479 R481S2-E477 WeakPolarHBondContact CB-OE1 3.5Å; S2-E477 PolarHBondContact OG-OE1 3.14Å; H4-E477 VanDerWaalsContact CB-OE1 3.32Å; H4-E477 WeakPolarHBondContact CB-OE1 3.22Å; H4-E477 IonicContact CD2-OE1 2.93Å; H4-E477 PolarHBondContact CD2-OE1 3.2Å; H4-E477 IonicContact CD2-OE2 2.99Å; H4-E477 PolarHBondContact CD2-OE2 2.81Å; H4-E477 IonicContact CG-OE1 3.22Å; H4-E477 PolarHBondContact N-OE1 3.1Å; T474-E477 PolarHBondContact O-N 3.09Å; E477-A479 VanDerWaalsContact C-N 3.31Å; E477-A479 PolarHBondContact O-N 3.46Å; E477-R481 WeakPolarHBondContact O-CB 3.32Å; E477-R481 PolarHBondContact O-N 2.98Å; E477-R481 VanDerWaalsContact O-N 3.15Å
478Q98.3Very high98.3Very high30 Ų3019.8 Ų19.814%0.149%0.094CC..Hα-helixtrans-62.9-39.7174.8-70.3168.4-25.300111.1H393 G395 V425 F459 T474 S475 F482H393-Q478 PolarHBondContact O-NE2 3.06Å; G395-Q478 VanDerWaalsContact CA-OE1 3.31Å; G395-Q478 VanDerWaalsContact N-OE1 3.16Å; V425-Q478 HydrophobicContact CG1-CB 4.18Å; F459-Q478 HydrophobicContact CE1-CB 4.24Å; T474-Q478 WeakPolarHBondContact O-CG 3.39Å; T474-Q478 PolarHBondContact O-N 3.34Å; T474-Q478 VanDerWaalsContact O-N 3.12Å; S475-Q478 PolarHBondContact O-N 2.95Å; Q478-F482 VanDerWaalsContact O-CB 3.23Å; Q478-F482 WeakPolarHBondContact O-CB 3.45Å; Q478-F482 PolarHBondContact O-N 3.35Å
479A98.8Very high98.3Very high0 Ų021 Ų210%010%0.101CC..Hα-helixtrans-67.3-50.8-179.800000113F272 A276 F459 S475 I476 E477 R481 F482 F483F272-A479 HydrophobicContact CE1-CB 3.6Å; F272-A479 HydrophobicContact CZ-CB 4.02Å; A276-A479 HydrophobicContact CB-CB 3.69Å; F459-A479 HydrophobicContact CD1-CB 4.05Å; F459-A479 HydrophobicContact CD2-CB 3.65Å; F459-A479 HydrophobicContact CE1-CB 3.75Å; F459-A479 HydrophobicContact CE2-CB 3.34Å; F459-A479 HydrophobicContact CG-CB 4.02Å; F459-A479 HydrophobicContact CZ-CB 3.42Å; F459-A479 VanDerWaalsContact CZ-CB 3.42Å; S475-A479 VanDerWaalsContact O-CB 3.29Å; S475-A479 WeakPolarHBondContact O-CB 3.1Å; S475-A479 PolarHBondContact O-N 3.34Å; I476-A479 PolarHBondContact O-N 3.12Å; E477-A479 VanDerWaalsContact C-N 3.31Å; E477-A479 PolarHBondContact O-N 3.46Å; A479-R481 VanDerWaalsContact C-N 3.31Å; A479-R481 PolarHBondContact O-N 3.22Å; A479-F482 PolarHBondContact O-N 2.89Å; A479-F483 HydrophobicContact CB-CD2 4.48Å; A479-F483 HydrophobicContact CB-CE2 4.24Å; A479-F483 WeakPolarHBondContact O-CD2 3.31Å; A479-F483 WeakPolarHBondContact O-CG 3.35Å; A479-F483 PolarHBondContact O-N 2.73Å
480V98.8Very high98.3Very high2 Ų220.8 Ų20.81%0.01210%0.1CC..Hα-helixtrans-59-45.6177.9172.80000110.6Y275 A276 H279 E283 I476 F482 F483 S484Y275-V480 HydrophobicContact CE1-CG2 4.33Å; A276-V480 HydrophobicContact CB-CG2 4.2Å; H279-V480 HydrophobicContact CB-CG1 4.02Å; H279-V480 HydrophobicContact CB-CG2 3.91Å; E283-V480 VanDerWaalsContact OE2-CG1 3.23Å; E283-V480 WeakPolarHBondContact OE2-CG1 3.48Å; I476-V480 WeakPolarHBondContact O-CG2 3.44Å; I476-V480 PolarHBondContact O-N 3.33Å; V480-F482 PolarHBondContact O-N 3.01Å; V480-F483 PolarHBondContact O-N 3.19Å; V480-S484 WeakPolarHBondContact O-CB 3.47Å; V480-S484 PolarHBondContact O-N 3.42Å
481R98.5Very high98.1Very high127 Ų12719.9 Ų19.948%0.47910%0.097SC..Hα-helixtrans-60.7-46.5176.9-173.4-175.5-58.6169.82.9112.4C423 V425 E477 A479 S485C423-R481 HydrophobicContact CB-CG 4.01Å; C423-R481 WeakPolarHBondContact O-CD 3.27Å; V425-R481 HydrophobicContact CG2-CB 4.49Å; V425-R481 HydrophobicContact CG2-CG 4.47Å; E477-R481 WeakPolarHBondContact O-CB 3.32Å; E477-R481 PolarHBondContact O-N 2.98Å; E477-R481 VanDerWaalsContact O-N 3.15Å; A479-R481 VanDerWaalsContact C-N 3.31Å; A479-R481 PolarHBondContact O-N 3.22Å; R481-S485 WeakPolarHBondContact O-CB 3.24Å; R481-S485 PolarHBondContact O-N 3.03Å
482F98.9Very high97.8Very high0 Ų026.8 Ų26.80%013%0.127CC..Hα-helixtrans-61.1-47178.5174.5-94.3000111.4V396 V416 I419 A420 V425 L457 F459 Q478 A479 V480 S485 Y486V396-F482 HydrophobicContact CG1-CD2 4.27Å; V396-F482 HydrophobicContact CG1-CE2 4.27Å; V396-F482 HydrophobicContact CG2-CE1 4.42Å; V416-F482 HydrophobicContact CB-CZ 4.43Å; V416-F482 HydrophobicContact CG1-CE2 3.92Å; V416-F482 HydrophobicContact CG1-CZ 3.74Å; V416-F482 HydrophobicContact CG2-CZ 4.32Å; I419-F482 HydrophobicContact CB-CE2 4.24Å; I419-F482 HydrophobicContact CG2-CD2 4.15Å; I419-F482 HydrophobicContact CG2-CE2 3.79Å; I419-F482 HydrophobicContact CG2-CZ 4.29Å; A420-F482 HydrophobicContact CB-CD2 4.19Å; A420-F482 HydrophobicContact CB-CE2 4.08Å; V425-F482 HydrophobicContact CG1-CB 4.45Å; V425-F482 HydrophobicContact CG2-CB 4.32Å; L457-F482 HydrophobicContact CD1-CE1 4.34Å; L457-F482 HydrophobicContact CD2-CE1 3.63Å; L457-F482 HydrophobicContact CD2-CZ 3.81Å; F459-F482 HydrophobicContact CZ-CB 4.48Å; Q478-F482 VanDerWaalsContact O-CB 3.23Å; Q478-F482 WeakPolarHBondContact O-CB 3.45Å; Q478-F482 PolarHBondContact O-N 3.35Å; A479-F482 PolarHBondContact O-N 2.89Å; V480-F482 PolarHBondContact O-N 3.01Å; F482-S485 PolarHBondContact O-N 3.18Å; F482-Y486 WeakPolarHBondContact O-CB 3.49Å; F482-Y486 PolarHBondContact O-N 3.38Å
483F98.9Very high97.6Very high0 Ų030 Ų300%014%0.144CC..Hα-helixtrans-68.1-38.7-179.6-66.9-44.2000113L78 A276 V368 A370 L457 F459 A479 V480 Y486 Y487L78-F483 HydrophobicContact CD1-CB 4.07Å; L78-F483 HydrophobicContact CD1-CD1 3.26Å; L78-F483 HydrophobicContact CD1-CD2 4.17Å; L78-F483 HydrophobicContact CD1-CE1 3.61Å; L78-F483 HydrophobicContact CD1-CE2 4.45Å; L78-F483 HydrophobicContact CD1-CG 3.58Å; L78-F483 HydrophobicContact CD1-CZ 4.21Å; L78-F483 HydrophobicContact CG-CD1 4.46Å; L78-F483 HydrophobicContact CG-CE1 4.44Å; A276-F483 HydrophobicContact CB-CD2 3.79Å; A276-F483 HydrophobicContact CB-CE2 3.73Å; V368-F483 HydrophobicContact CG1-CE1 4.05Å; A370-F483 HydrophobicContact CB-CE1 4.06Å; A370-F483 HydrophobicContact CB-CZ 3.66Å; L457-F483 HydrophobicContact CD1-CE1 3.86Å; L457-F483 HydrophobicContact CD1-CZ 4.02Å; F459-F483 HydrophobicContact CE2-CE2 4.08Å; F459-F483 AromaticContact CE2-CZ 3.95Å; F459-F483 HydrophobicContact CE2-CZ 3.95Å; A479-F483 HydrophobicContact CB-CD2 4.48Å; A479-F483 HydrophobicContact CB-CE2 4.24Å; A479-F483 WeakPolarHBondContact O-CD2 3.31Å; A479-F483 WeakPolarHBondContact O-CG 3.35Å; A479-F483 PolarHBondContact O-N 2.73Å; V480-F483 PolarHBondContact O-N 3.19Å; F483-Y486 WeakPolarHBondContact O-CB 3.22Å; F483-Y486 PolarHBondContact O-N 3.23Å; F483-Y487 WeakPolarHBondContact O-CD2 3.35Å; F483-Y487 PolarHBondContact O-N 2.96Å; F483-Y487 VanDerWaalsContact O-N 3.09Å
484S98.8Very high97.2Very high13 Ų1330 Ų309%0.09114%0.141CC..Hα-helixtrans-58.8-51.5171.6-175.70000110.6G280 S284 V480 Y486 Y487 E488G280-S484 WeakPolarHBondContact O-CA 3.26Å; S284-S484 PolarHBondContact N-OG 3.28Å; V480-S484 WeakPolarHBondContact O-CB 3.47Å; V480-S484 PolarHBondContact O-N 3.42Å; S484-Y486 VanDerWaalsContact C-N 3.26Å; S484-Y486 PolarHBondContact O-N 2.98Å; S484-Y487 PolarHBondContact O-N 3.42Å; S484-Y487 VanDerWaalsContact O-N 3.09Å; S484-E488 VanDerWaalsContact O-CG 3.31Å; S484-E488 WeakPolarHBondContact O-CG 3.42Å; S484-E488 PolarHBondContact O-N 3.36Å
485S98.7Very high95.7Very high6 Ų630.6 Ų30.64%0.04215%0.146CC..Hα-helixtrans-58.4-36.7176.4-173.10000112.8R481 F482 E488 H489R481-S485 WeakPolarHBondContact O-CB 3.24Å; R481-S485 PolarHBondContact O-N 3.03Å; F482-S485 PolarHBondContact O-N 3.18Å; S485-E488 PolarHBondContact O-N 2.99Å; S485-H489 WeakPolarHBondContact O-CB 3.2Å; S485-H489 PolarHBondContact O-CD2 2.9Å; S485-H489 VanDerWaalsContact O-CD2 3.25Å; S485-H489 PolarHBondContact O-N 3.17Å; S485-H489 PolarHBondContact OG-CD2 3.07Å
486Y98.8Very high93.6Very high0 Ų034.4 Ų34.40%017%0.167CC..Hα-helixtrans-59.2-50.6175164.4-108.1000111.4T76 L77 L78 F366 V368 I419 F482 F483 S484 E488 L490T76-Y486 HydrophobicContact CG2-CD1 4.04Å; T76-Y486 HydrophobicContact CG2-CE1 3.49Å; T76-Y486 VanDerWaalsContact CG2-CE1 3.49Å; T76-Y486 HydrophobicContact CG2-CE2 4.19Å; L77-Y486 PolarHBondContact N-OH 3.35Å; L77-Y486 WeakPolarHBondContact O-CE1 3.48Å; L77-Y486 PolarHBondContact O-OH 3.32Å; L78-Y486 HydrophobicContact CB-CE1 4.43Å; F366-Y486 AromaticContact CD1-CE2 3.85Å; F366-Y486 HydrophobicContact CD1-CE2 3.85Å; F366-Y486 HydrophobicContact CE1-CE2 4.3Å; F366-Y486 PolarHBondContact O-OH 3.42Å; F366-Y486 VanDerWaalsContact O-OH 3.07Å; V368-Y486 HydrophobicContact CB-CE1 4.25Å; V368-Y486 HydrophobicContact CG2-CD1 4.27Å; V368-Y486 HydrophobicContact CG2-CD2 3.81Å; V368-Y486 HydrophobicContact CG2-CE1 3.89Å; V368-Y486 HydrophobicContact CG2-CE2 3.44Å; V368-Y486 VanDerWaalsContact CG2-CE2 3.44Å; V368-Y486 HydrophobicContact CG2-CG 4.23Å; V368-Y486 VanDerWaalsContact CG2-CZ 3.47Å; I419-Y486 HydrophobicContact CD1-CD2 3.65Å; I419-Y486 HydrophobicContact CD1-CE2 4.5Å; F482-Y486 WeakPolarHBondContact O-CB 3.49Å; F482-Y486 PolarHBondContact O-N 3.38Å; F483-Y486 WeakPolarHBondContact O-CB 3.22Å; F483-Y486 PolarHBondContact O-N 3.23Å; S484-Y486 VanDerWaalsContact C-N 3.26Å; S484-Y486 PolarHBondContact O-N 2.98Å; Y486-E488 VanDerWaalsContact C-N 3.32Å; Y486-E488 PolarHBondContact O-N 3.17Å; Y486-L490 HydrophobicContact CD2-CB 4.38Å; Y486-L490 HydrophobicContact CE2-CB 4.22Å; Y486-L490 HydrophobicContact CE2-CD1 3.95Å; Y486-L490 HydrophobicContact CE2-CD2 3.89Å; Y486-L490 HydrophobicContact CE2-CG 4.21Å; Y486-L490 VanDerWaalsContact O-CB 3.23Å; Y486-L490 WeakPolarHBondContact O-CB 3Å; Y486-L490 PolarHBondContact O-N 3.19Å; Y486-L490 VanDerWaalsContact O-N 3.08Å
487Y98.8Very high91.3Very high0 Ų041.1 Ų41.10%020%0.198CC..Hα-helixtrans-62.6-36.2177.7-77.9-62.8000113.5T76 L78 F281 S284 R295 L296 F483 S484T76-Y487 HydrophobicContact CG2-CD1 3.57Å; T76-Y487 HydrophobicContact CG2-CE1 4.08Å; T76-Y487 HydrophobicContact CG2-CG 4.43Å; T76-Y487 WeakPolarHBondContact O-CE1 3.36Å; L78-Y487 HydrophobicContact CB-CE2 4.49Å; L78-Y487 WeakPolarHBondContact CB-OH 3.39Å; L78-Y487 HydrophobicContact CD1-CE2 4.25Å; F281-Y487 HydrophobicContact CB-CD2 4.25Å; F281-Y487 HydrophobicContact CB-CE2 3.63Å; F281-Y487 HydrophobicContact CD2-CD1 4.4Å; F281-Y487 HydrophobicContact CD2-CD2 4.48Å; F281-Y487 AromaticContact CD2-CE1 3.9Å; F281-Y487 HydrophobicContact CD2-CE1 3.9Å; F281-Y487 AromaticContact CD2-CE2 4Å; F281-Y487 HydrophobicContact CD2-CE2 4Å; F281-Y487 AromaticContact CD2-CZ 3.67Å; F281-Y487 HydrophobicContact CG-CE2 4.33Å; S284-Y487 VanDerWaalsContact CB-CB 3.49Å; S284-Y487 WeakPolarHBondContact OG-CB 3.44Å; R295-Y487 HydrophobicContact CB-CD1 3.71Å; R295-Y487 HydrophobicContact CB-CE1 3.94Å; R295-Y487 HydrophobicContact CG-CD1 3.77Å; R295-Y487 HydrophobicContact CG-CE1 4.48Å; R295-Y487 PolarHBondContact NE-O 3.46Å; R295-Y487 VanDerWaalsContact NE-O 3.1Å; R295-Y487 PolarHBondContact NH2-O 2.97Å; L296-Y487 WeakPolarHBondContact O-CE1 3.04Å; L296-Y487 PolarHBondContact O-OH 2.79Å; F483-Y487 WeakPolarHBondContact O-CD2 3.35Å; F483-Y487 PolarHBondContact O-N 2.96Å; F483-Y487 VanDerWaalsContact O-N 3.09Å; S484-Y487 PolarHBondContact O-N 3.42Å; S484-Y487 VanDerWaalsContact O-N 3.09Å
488E98.4Very high88.6Confident47 Ų4742.8 Ų42.822%0.2222%0.216CC..Hα-helixtrans-78.7-29.7-176.2-66.2-173.6150.500114.5T287 S484 S485 Y486T287-E488 HydrophobicContact CG2-CG 4.25Å; T287-E488 WeakPolarHBondContact CG2-OE1 3.14Å; T287-E488 WeakPolarHBondContact OG1-CG 2.93Å; S484-E488 VanDerWaalsContact O-CG 3.31Å; S484-E488 WeakPolarHBondContact O-CG 3.42Å; S484-E488 PolarHBondContact O-N 3.36Å; S485-E488 PolarHBondContact O-N 2.99Å; Y486-E488 VanDerWaalsContact C-N 3.32Å; Y486-E488 PolarHBondContact O-N 3.17Å
489H97.6Very high86Confident54 Ų5450.3 Ų50.325%0.2524%0.244CC..Hα-helixtrans-113.2-20.2-168.6-67.2-76.2000114.6L422 S485 S491 K492 L493L422-H489 HydrophobicContact CD1-CB 3.89Å; S485-H489 WeakPolarHBondContact O-CB 3.2Å; S485-H489 PolarHBondContact O-CD2 2.9Å; S485-H489 VanDerWaalsContact O-CD2 3.25Å; S485-H489 PolarHBondContact O-N 3.17Å; S485-H489 PolarHBondContact OG-CD2 3.07Å; H489-S491 VanDerWaalsContact C-N 3.34Å; H489-S491 PolarHBondContact O-N 2.93Å; H489-K492 PolarHBondContact O-N 3.3Å; H489-K492 VanDerWaalsContact O-N 3.15Å; H489-L493 HydrophobicContact CB-CD1 4.32Å; H489-L493 PolarHBondContact O-N 3.42Å
490L97.6Very high83.6Confident0 Ų060.6 Ų60.60%028%0.283CS..Hα-helixtrans-54.1-48.1-174.9178.775000112.4T76 F366 V415 Y486 K492 L493 W494T76-L490 HydrophobicContact CG2-CB 4.01Å; T76-L490 HydrophobicContact CG2-CD2 3.49Å; T76-L490 VanDerWaalsContact CG2-CD2 3.49Å; T76-L490 HydrophobicContact CG2-CG 4.38Å; F366-L490 HydrophobicContact CB-CD1 3.85Å; F366-L490 HydrophobicContact CB-CD2 3.53Å; F366-L490 HydrophobicContact CB-CG 4.26Å; F366-L490 HydrophobicContact CD1-CD1 4.08Å; F366-L490 HydrophobicContact CD2-CD1 4.39Å; F366-L490 HydrophobicContact CG-CD1 3.89Å; F366-L490 HydrophobicContact CG-CD2 4.35Å; V415-L490 HydrophobicContact CG1-CD1 3.78Å; Y486-L490 HydrophobicContact CD2-CB 4.38Å; Y486-L490 HydrophobicContact CE2-CB 4.22Å; Y486-L490 HydrophobicContact CE2-CD1 3.95Å; Y486-L490 HydrophobicContact CE2-CD2 3.89Å; Y486-L490 HydrophobicContact CE2-CG 4.21Å; Y486-L490 VanDerWaalsContact O-CB 3.23Å; Y486-L490 WeakPolarHBondContact O-CB 3Å; Y486-L490 PolarHBondContact O-N 3.19Å; Y486-L490 VanDerWaalsContact O-N 3.08Å; L490-K492 PolarHBondContact O-N 3.41Å; L490-K492 VanDerWaalsContact O-N 3.15Å; L490-L493 PolarHBondContact O-N 3.08Å; L490-W494 HydrophobicContact CD1-CB 3.74Å; L490-W494 HydrophobicContact CD1-CG 4.19Å; L490-W494 HydrophobicContact CG-CB 4.02Å; L490-W494 VanDerWaalsContact O-CB 3.23Å; L490-W494 WeakPolarHBondContact O-CB 3.36Å; L490-W494 PolarHBondContact O-N 3.32Å
491S94.7Very high81.1Confident17 Ų1769.1 Ų69.112%0.11932%0.323CS..Hα-helixtrans-62-27.1-174.254.60000113.6E291 H489E291-S491 WeakPolarHBondContact OE1-CB 3.29Å; E291-S491 PolarHBondContact OE1-OG 3.32Å; H489-S491 VanDerWaalsContact C-N 3.34Å; H489-S491 PolarHBondContact O-N 2.93Å
492K93Very high78.5Confident144 Ų14466.8 Ų66.863%0.62633%0.326SS*.Hα-helixtrans-78.6-39.8174.7-62.3172-173.8162.30111.8H489 L490H489-K492 PolarHBondContact O-N 3.3Å; H489-K492 VanDerWaalsContact O-N 3.15Å; L490-K492 PolarHBondContact O-N 3.41Å; L490-K492 VanDerWaalsContact O-N 3.15Å
493L92.7Very high76.1Confident69 Ų6975.1 Ų75.136%0.36136%0.362SS..Hα-helixtrans-77.4-36.1-178.2-65.9176.3000112.7E418 I419 L422 H489 L490E418-L493 HydrophobicContact CB-CD1 4.19Å; E418-L493 HydrophobicContact CG-CD1 3.77Å; E418-L493 HydrophobicContact CG-CD2 3.65Å; E418-L493 HydrophobicContact CG-CG 4.36Å; I419-L493 HydrophobicContact CD1-CD1 4.37Å; I419-L493 HydrophobicContact CG1-CD1 3.61Å; L422-L493 HydrophobicContact CD1-CD1 4.01Å; H489-L493 HydrophobicContact CB-CD1 4.32Å; H489-L493 PolarHBondContact O-N 3.42Å; L490-L493 PolarHBondContact O-N 3.08Å
494W88.5Confident74Confident19 Ų1980.2 Ų80.27%0.07240%0.395CS..  trans-100.923-169.5-164.1-111000113.7S365 F366 L411 V415 P453 L490 N496S365-W494 PolarHBondContact O-NE1 2.97Å; S365-W494 VanDerWaalsContact O-NE1 3.12Å; F366-W494 HydrophobicContact CB-CG 4.45Å; F366-W494 AromaticContact CD2-CD2 3.75Å; F366-W494 HydrophobicContact CD2-CD2 3.75Å; F366-W494 AromaticContact CD2-CE2 3.55Å; F366-W494 HydrophobicContact CD2-CE3 4.05Å; F366-W494 HydrophobicContact CD2-CG 4.31Å; F366-W494 AromaticContact CD2-CH2 3.93Å; F366-W494 HydrophobicContact CD2-CH2 3.93Å; F366-W494 AromaticContact CD2-CZ2 3.68Å; F366-W494 HydrophobicContact CD2-CZ2 3.68Å; F366-W494 HydrophobicContact CD2-CZ3 4.13Å; F366-W494 AromaticContact CD2-NE1 3.96Å; F366-W494 HydrophobicContact CE2-CD2 4.35Å; F366-W494 HydrophobicContact CE2-CE3 4.19Å; F366-W494 AromaticContact CE2-CH2 3.89Å; F366-W494 HydrophobicContact CE2-CH2 3.89Å; F366-W494 HydrophobicContact CE2-CZ2 4.12Å; F366-W494 AromaticContact CE2-CZ3 3.95Å; F366-W494 HydrophobicContact CE2-CZ3 3.95Å; L411-W494 HydrophobicContact CD1-CH2 4.28Å; L411-W494 HydrophobicContact CD1-CZ3 3.97Å; L411-W494 HydrophobicContact CD2-CH2 3.51Å; L411-W494 HydrophobicContact CD2-CZ2 4.49Å; L411-W494 HydrophobicContact CD2-CZ3 4.07Å; L411-W494 HydrophobicContact CG-CH2 3.6Å; L411-W494 HydrophobicContact CG-CZ3 3.74Å; V415-W494 HydrophobicContact CG2-CD2 4.43Å; V415-W494 HydrophobicContact CG2-CE3 3.29Å; V415-W494 HydrophobicContact CG2-CH2 4.42Å; V415-W494 HydrophobicContact CG2-CZ3 3.28Å; P453-W494 HydrophobicContact CB-CH2 4.08Å; P453-W494 HydrophobicContact CB-CZ2 3.53Å; P453-W494 HydrophobicContact CG-CZ2 3.71Å; L490-W494 HydrophobicContact CD1-CB 3.74Å; L490-W494 HydrophobicContact CD1-CG 4.19Å; L490-W494 HydrophobicContact CG-CB 4.02Å; L490-W494 VanDerWaalsContact O-CB 3.23Å; L490-W494 WeakPolarHBondContact O-CB 3.36Å; L490-W494 PolarHBondContact O-N 3.32Å; W494-N496 PolarHBondContact O-N 3.28Å
495C67Low71.7Confident62 Ų6285 Ų8542%0.41943%0.426SS..  trans-75.395.6178.6-169.60000111.1Q497C495-Q497 PolarHBondContact O-N 2.92Å
496N53.5Low69.4Low81 Ų8190.1 Ų90.143%0.43346%0.459SS..THydrogen-bonded Turntrans-63.18.6178.1-90-25.5000115.5A363 W494A363-N496 PolarHBondContact O-ND2 3.29Å; W494-N496 PolarHBondContact O-N 3.28Å
497Q49.5Very low67.1Low140 Ų14095.9 Ų95.965%0.65450%0.496SS*.THydrogen-bonded Turntrans-71.5-34175.2-74.8-172.8-15.600112.6C495C495-Q497 PolarHBondContact O-N 2.92Å
498S41.7Very low64.7Low88 Ų88104.6 Ų104.662%0.61554%0.537SS*.Hα-helixtrans-76.2-26.6-170.656.30000115.1R500 S502S498-R500 VanDerWaalsContact C-N 3.32Å; S498-R500 PolarHBondContact O-N 2.74Å; S498-S502 PolarHBondContact O-OG 3.36Å; S498-S502 VanDerWaalsContact O-OG 3.13Å
499Y43.3Very low62.1Low187 Ų187111.3 Ų111.373%0.73357%0.569SS**Hα-helixtrans-75.8-19.1-177.1-158.8-98.1000113.4
500R47.3Very low59.4Low216 Ų216117 Ų11782%0.81560%0.595SS**Hα-helixtrans-87.3-32.1-179.6-72.7-170.2178.8-170.21.4113.6S498 S502S498-R500 VanDerWaalsContact C-N 3.32Å; S498-R500 PolarHBondContact O-N 2.74Å; R500-S502 PolarHBondContact O-N 3.45Å
501E46.5Very low56.7Low181 Ų181125 Ų12585%0.84663%0.633SS**Hα-helixtrans-73.7-18.3179.1-67.6-173.3172.200113
502S44.5Very low54.1Low78 Ų78131.3 Ų131.355%0.54566%0.66SS.*THydrogen-bonded Turntrans-99.715.2-174.955.10000114.9S498 R500 P504S498-S502 PolarHBondContact O-OG 3.36Å; S498-S502 VanDerWaalsContact O-OG 3.13Å; R500-S502 PolarHBondContact O-N 3.45Å; S502-P504 WeakPolarHBondContact O-CD 3.46Å; S502-P504 VanDerWaalsContact O-N 3.08Å
503K47.6Very low51.5Low175 Ų175132.7 Ų132.776%0.76167%0.669SS**  trans-63.1113167.3-86.4-172.5177-177.70108.2
504P55.3Low49Very low108 Ų108135 Ų13570%0.70168%0.678SS**PPolyproline II helixtrans-58.9143.9170.325.6-31.7000108.2S502S502-P504 WeakPolarHBondContact O-CD 3.46Å; S502-P504 VanDerWaalsContact O-N 3.08Å
505P51Low46.6Very low113 Ų113138.5 Ų138.573%0.73471%0.705SS**PPolyproline II helixtrans-55.3143.9-179.622.5-31.8000109.4
506P50.5Low45.4Very low113 Ų113145 Ų14573%0.73472%0.722SS**PPolyproline II helixtrans-54.1141.7177.422.5-31.3000109.1Q508P506-Q508 PolarHBondContact O-N 3.24Å; P506-Q508 VanDerWaalsContact O-N 3.1Å
507P49.8Very low44.8Very low121 Ų121148.9 Ų148.979%0.78674%0.738SS**PPolyproline II helixtrans-54.1124.6-177.520.4-30.5000108.8Q509P507-Q509 PolarHBondContact O-N 3.26Å
508Q49.6Very low44.3Very low184 Ų184149.8 Ų149.886%0.8674%0.742SS**PPolyproline II helixtrans-53.3116.1174.3-71.9178.4-600107.1P506 Q510P506-Q508 PolarHBondContact O-N 3.24Å; P506-Q508 VanDerWaalsContact O-N 3.1Å; Q508-Q510 PolarHBondContact O-N 2.7Å
509Q42.3Very low44.4Very low187 Ų187153.6 Ų153.687%0.87475%0.754SS**  trans-60.397168.9-72.7179.9-100106.3P507 Q511P507-Q509 PolarHBondContact O-N 3.26Å; Q509-Q511 VanDerWaalsContact C-N 3.32Å; Q509-Q511 PolarHBondContact O-N 3.27Å
510Q41.1Very low44.5Very low174 Ų174151.1 Ų151.181%0.81375%0.748SS**  trans-57.3107.8160.5-77.3-178.5-0.600104.8Q508 Q512Q508-Q510 PolarHBondContact O-N 2.7Å; Q510-Q512 PolarHBondContact O-N 3.03Å
511Q40.9Very low43.8Very low169 Ų169148.9 Ų148.979%0.7975%0.752SS**  trans-56.591.3168-74176.2-2.800106.6Q509 Q513Q509-Q511 VanDerWaalsContact C-N 3.32Å; Q509-Q511 PolarHBondContact O-N 3.27Å; Q511-Q513 PolarHBondContact O-N 3.42Å
512Q40.2Very low43.5Very low148 Ų148147.9 Ų147.969%0.69275%0.749SS**  trans-65.292.6159-77.1-172.96.400105.3Q510 Q514Q510-Q512 PolarHBondContact O-N 3.03Å; Q512-Q514 HydrophobicContact CB-CG 4.38Å; Q512-Q514 PolarHBondContact O-N 3.31Å
513Q38.8Very low43.2Very low173 Ų173155.8 Ų155.881%0.80879%0.785SS**  trans-61.678.7156.3-72178.90.700107Q511 S515Q511-Q513 PolarHBondContact O-N 3.42Å; Q513-S515 VanDerWaalsContact C-N 3.31Å; Q513-S515 PolarHBondContact O-N 3.21Å; Q513-S515 VanDerWaalsContact O-N 3.08Å
514Q40Very low43Very low119 Ų119154.8 Ų154.856%0.55679%0.786SS**  trans-72.798.7161.3-75.5-174.33.500106.3Q512 Y516Q512-Q514 HydrophobicContact CB-CG 4.38Å; Q512-Q514 PolarHBondContact O-N 3.31Å; Q514-Y516 VanDerWaalsContact C-N 3.28Å; Q514-Y516 HydrophobicContact CB-CD2 4.28Å; Q514-Y516 HydrophobicContact CB-CE2 4.14Å; Q514-Y516 PolarHBondContact O-N 3.33Å
515S38Very low42.4Very low91 Ų91157.3 Ų157.364%0.63679%0.79SS**  trans-53.592.9161.9177.20000108.8Q513 H517Q513-S515 VanDerWaalsContact C-N 3.31Å; Q513-S515 PolarHBondContact O-N 3.21Å; Q513-S515 VanDerWaalsContact O-N 3.08Å; S515-H517 VanDerWaalsContact C-N 3.32Å; S515-H517 PolarHBondContact O-N 2.92Å; S515-H517 PolarHBondContact OG-ND1 3Å
516Y41.5Very low41.9Very low199 Ų199159.7 Ų159.778%0.7879%0.794SS**  trans-77.891.4160.2-85.1-89.1000107.1Q514 Q518Q514-Y516 VanDerWaalsContact C-N 3.28Å; Q514-Y516 HydrophobicContact CB-CD2 4.28Å; Q514-Y516 HydrophobicContact CB-CE2 4.14Å; Q514-Y516 PolarHBondContact O-N 3.33Å; Y516-Q518 PolarHBondContact O-N 2.74Å; Y516-Q518 VanDerWaalsContact O-N 3.07Å
517H41.9Very low41.4Very low163 Ų163162.5 Ų162.576%0.75580%0.797SS**  trans-59.6109.5163.6-92.23.3000109.5S515 I519S515-H517 VanDerWaalsContact C-N 3.32Å; S515-H517 PolarHBondContact O-N 2.92Å; S515-H517 PolarHBondContact OG-ND1 3Å; H517-I519 PolarHBondContact O-N 3.48Å
518Q39.4Very low40.9Very low159 Ų159165.1 Ų165.174%0.74380%0.798SS**  trans5.1103.5151.5-72.5172.9-38.800115.9Y516Y516-Q518 PolarHBondContact O-N 2.74Å; Y516-Q518 VanDerWaalsContact O-N 3.07Å
519I42Very low40.3Very low168 Ų168163.8 Ų163.886%0.86279%0.794SS**  trans-88.1103.1147.9-64.3176.1000105.8H517 L521H517-I519 PolarHBondContact O-N 3.48Å; I519-L521 PolarHBondContact O-N 2.92Å
520H45.8Very low40.1Very low135 Ų135162.1 Ų162.163%0.62579%0.788SS**  trans-63.8113.6174.4-112.5-56.7000109.8
521L34.1Very low40.1Very low169 Ų169161.2 Ų161.289%0.88579%0.786SS**  trans-73118.9150.8-80.3155.2000107.5I519I519-L521 PolarHBondContact O-N 2.92Å
522M38.7Very low40Very low160 Ų160160.6 Ų160.679%0.78879%0.786SS**  trans-135.7110.9155.8-89.1-170.2171.900107.7
523N39.6Very low40Very low243 Ų243161.7 Ų161.7100%1.29979%0.794SS**  trans21.70157.6-64.9-18.6000119.5

Retrieved 523 of 523 residues in 168.3 ms (Link to these results)

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