A0A3Q0KM62_SCHMA Loading...

5'-3' exoribonuclease

Possesses 5'->3' exoribonuclease activity. May promote termination of transcription by RNA polymerase II.

AlphaFold DB , UniProt , Accession A0A3Q0KM62, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,020 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
1M50.2Low77.1Confident44 Ų4437.4 Ų37.422%0.21722%0.22CC..  0-61.30-72.1-172.4-78.200113.8F6 C338 V341 G342 I354M1-F6 HydrophobicContact SD-CD2 3.96Å; M1-C338 WeakPolarHBondContact CE-O 3.39Å; M1-C338 HydrophobicContact SD-CB 4.48Å; M1-V341 HydrophobicContact CG-CB 3.92Å; M1-V341 HydrophobicContact CG-CG1 4.19Å; M1-V341 VanDerWaalsContact CG-O 3.22Å; M1-V341 WeakPolarHBondContact CG-O 3.46Å; M1-V341 PolarHBondContact N-O 3.43Å; M1-V341 HydrophobicContact SD-CB 4.22Å; M1-G342 WeakPolarHBondContact CB-O 3.46Å; M1-G342 VanDerWaalsContact CG-O 3.24Å; M1-G342 WeakPolarHBondContact CG-O 3.44Å; M1-G342 PolarHBondContact N-O 3.45Å; M1-I354 HydrophobicContact CB-CD1 3.8Å; M1-I354 HydrophobicContact CG-CD1 3.75Å; M1-I354 HydrophobicContact CG-CG1 4.37Å; M1-I354 HydrophobicContact SD-CD1 4.22Å
2G61.3Low78.1Confident47 Ų4737.3 Ų37.349%0.48522%0.217SC..  trans82.8123.8-177.900000113A5 F6G2-A5 PolarHBondContact O-N 3.41Å; G2-A5 VanDerWaalsContact O-N 3.08Å; G2-F6 PolarHBondContact O-N 3.42Å; G2-F6 VanDerWaalsContact O-N 3.14Å
3V59.8Low79.2Confident38 Ų3836.9 Ų36.923%0.2321%0.211CC..Hα-helixtrans-50.1-52.3-168.7177.60000114A5 F7 A233 A235V3-A5 VanDerWaalsContact C-N 3.29Å; V3-A5 PolarHBondContact O-N 2.94Å; V3-F7 WeakPolarHBondContact O-CB 3.34Å; V3-F7 PolarHBondContact O-N 3.3Å; V3-A233 WeakPolarHBondContact CG1-O 3.49Å; V3-A235 HydrophobicContact CG2-CB 4.37Å
4P72.1Confident80.3Confident73 Ų7334.7 Ų34.747%0.47420%0.198SC..Hα-helixtrans-69.4-27.6-175.7-18.533.8000112.8R8P4-R8 WeakPolarHBondContact O-CB 3.33Å; P4-R8 PolarHBondContact O-N 2.93Å; P4-R8 VanDerWaalsContact O-N 3.13Å
5A78.2Confident81.2Confident26 Ų2633.3 Ų33.322%0.21519%0.19CC..Hα-helixtrans-76.3-46.3-178.800000111.5G2 V3 W9G2-A5 PolarHBondContact O-N 3.41Å; G2-A5 VanDerWaalsContact O-N 3.08Å; V3-A5 VanDerWaalsContact C-N 3.29Å; V3-A5 PolarHBondContact O-N 2.94Å; A5-W9 PolarHBondContact O-N 3.07Å; A5-W9 VanDerWaalsContact O-N 3.12Å
6F86.7Confident82.1Confident0 Ų031.9 Ų31.90%018%0.183CC..Hα-helixtrans-64.9-49.4176-179.2-100.5000111.5M1 G2 R8 W9 L10 A235 I238 M239 W334 I354 I359M1-F6 HydrophobicContact SD-CD2 3.96Å; G2-F6 PolarHBondContact O-N 3.42Å; G2-F6 VanDerWaalsContact O-N 3.14Å; F6-R8 VanDerWaalsContact C-N 3.31Å; F6-R8 PolarHBondContact O-N 3.19Å; F6-W9 HydrophobicContact CD2-CE3 4.4Å; F6-W9 HydrophobicContact CE2-CE3 4.07Å; F6-W9 HydrophobicContact CE2-CZ3 4.01Å; F6-W9 HydrophobicContact CZ-CZ3 4.45Å; F6-W9 PolarHBondContact O-N 3.1Å; F6-L10 HydrophobicContact CE1-CB 4.45Å; F6-L10 HydrophobicContact CE1-CD1 4.46Å; F6-L10 HydrophobicContact CE1-CD2 3.97Å; F6-L10 HydrophobicContact CZ-CD1 4.01Å; F6-L10 HydrophobicContact CZ-CD2 4.32Å; F6-L10 WeakPolarHBondContact O-CB 3.24Å; F6-L10 PolarHBondContact O-N 3.27Å; F6-A235 HydrophobicContact CB-CB 4.2Å; F6-A235 HydrophobicContact CD1-CB 3.86Å; F6-A235 HydrophobicContact CG-CB 4.3Å; F6-I238 HydrophobicContact CD1-CD1 4.48Å; F6-I238 HydrophobicContact CE1-CD1 4.03Å; F6-I238 HydrophobicContact CE1-CG2 4.49Å; F6-M239 HydrophobicContact CE1-CE 3.89Å; F6-M239 HydrophobicContact CE2-CE 3.64Å; F6-M239 HydrophobicContact CZ-CE 3.18Å; F6-W334 HydrophobicContact CZ-CH2 4.14Å; F6-I354 HydrophobicContact CB-CD1 3.78Å; F6-I354 HydrophobicContact CD2-CD1 3.95Å; F6-I354 HydrophobicContact CG-CD1 4.39Å; F6-I359 HydrophobicContact CD2-CD1 4.06Å; F6-I359 HydrophobicContact CE2-CD1 3.88Å
7F86.2Confident82.9Confident29 Ų2930 Ų3013%0.12717%0.172CC..Hα-helixtrans-62.4-36.6-179.8-176.9-107.7000112.7V3 L10 S11 V18 I301 I303V3-F7 WeakPolarHBondContact O-CB 3.34Å; V3-F7 PolarHBondContact O-N 3.3Å; F7-L10 PolarHBondContact O-N 3.06Å; F7-S11 VanDerWaalsContact O-CB 3.31Å; F7-S11 WeakPolarHBondContact O-CB 3.42Å; F7-S11 PolarHBondContact O-N 3.31Å; F7-S11 PolarHBondContact O-OG 3.27Å; F7-V18 HydrophobicContact CE2-CG2 4.21Å; F7-V18 HydrophobicContact CZ-CG2 3.88Å; F7-I301 HydrophobicContact CE1-CD1 4.1Å; F7-I301 HydrophobicContact CZ-CD1 3.7Å; F7-I303 HydrophobicContact CD2-CD1 3.88Å; F7-I303 HydrophobicContact CE2-CD1 3.43Å; F7-I303 VanDerWaalsContact CE2-CD1 3.43Å; F7-I303 HydrophobicContact CE2-CG1 3.88Å; F7-I303 HydrophobicContact CZ-CD1 4.37Å
8R84.6Confident83.5Confident120 Ų12030.4 Ų30.445%0.45318%0.175SC..Hα-helixtrans-65.8-43.8174.6-175.8176.9-174.9146.6-4.3112.6P4 F6 S11 M12 D901P4-R8 WeakPolarHBondContact O-CB 3.33Å; P4-R8 PolarHBondContact O-N 2.93Å; P4-R8 VanDerWaalsContact O-N 3.13Å; F6-R8 VanDerWaalsContact C-N 3.31Å; F6-R8 PolarHBondContact O-N 3.19Å; R8-S11 PolarHBondContact O-OG 3.09Å; R8-M12 HydrophobicContact CG-SD 4.15Å; R8-M12 VanDerWaalsContact O-CB 3.31Å; R8-M12 WeakPolarHBondContact O-CB 3.17Å; R8-M12 VanDerWaalsContact O-CG 3.22Å; R8-M12 WeakPolarHBondContact O-CG 3.36Å; R8-M12 PolarHBondContact O-N 3.17Å; R8-M12 VanDerWaalsContact O-N 3.09Å; R8-D901 IonicContact CZ-OD2 3.51Å; R8-D901 IonicContact NH2-OD2 3.54Å; R8-D901 PolarHBondContact NH2-OD2 3.34Å
9W88.8Confident84.1Confident5 Ų531.5 Ų31.52%0.01918%0.183CC..Hα-helixtrans-61-47.9174.1170.691.1000110.8A5 F6 M12 K13 Y14 W334 I354 I359 D360A5-W9 PolarHBondContact O-N 3.07Å; A5-W9 VanDerWaalsContact O-N 3.12Å; F6-W9 HydrophobicContact CD2-CE3 4.4Å; F6-W9 HydrophobicContact CE2-CE3 4.07Å; F6-W9 HydrophobicContact CE2-CZ3 4.01Å; F6-W9 HydrophobicContact CZ-CZ3 4.45Å; F6-W9 PolarHBondContact O-N 3.1Å; W9-M12 PolarHBondContact O-N 3.16Å; W9-K13 HydrophobicContact CH2-CD 4.15Å; W9-K13 HydrophobicContact CZ2-CD 3.62Å; W9-K13 WeakPolarHBondContact O-CB 3.28Å; W9-K13 PolarHBondContact O-N 3.11Å; W9-Y14 HydrophobicContact CH2-CE2 4.4Å; W9-W334 HydrophobicContact CH2-CZ2 4.19Å; W9-W334 HydrophobicContact CZ3-CZ2 4.14Å; W9-I354 HydrophobicContact CB-CG2 3.54Å; W9-I354 HydrophobicContact CG-CG2 3.77Å; W9-I359 HydrophobicContact CD2-CD1 4.01Å; W9-I359 HydrophobicContact CE3-CD1 3.75Å; W9-I359 HydrophobicContact CH2-CB 4.01Å; W9-I359 HydrophobicContact CH2-CD1 3.91Å; W9-I359 HydrophobicContact CH2-CG2 3.49Å; W9-I359 VanDerWaalsContact CH2-CG2 3.49Å; W9-I359 HydrophobicContact CZ2-CB 3.73Å; W9-I359 HydrophobicContact CZ2-CD1 4.13Å; W9-I359 HydrophobicContact CZ2-CG2 3.62Å; W9-I359 HydrophobicContact CZ3-CD1 3.7Å; W9-I359 HydrophobicContact CZ3-CG2 4.29Å; W9-D360 PolarHBondContact NE1-OD2 3.37Å
10L91.1Very high84.6Confident0 Ų033.8 Ų33.80%019%0.191CC..Hα-helixtrans-63.5-48.1-177.1-164.977.8000112.4F6 F7 M12 K13 Y14 I17 I238 L308 W334F6-L10 HydrophobicContact CE1-CB 4.45Å; F6-L10 HydrophobicContact CE1-CD1 4.46Å; F6-L10 HydrophobicContact CE1-CD2 3.97Å; F6-L10 HydrophobicContact CZ-CD1 4.01Å; F6-L10 HydrophobicContact CZ-CD2 4.32Å; F6-L10 WeakPolarHBondContact O-CB 3.24Å; F6-L10 PolarHBondContact O-N 3.27Å; F7-L10 PolarHBondContact O-N 3.06Å; L10-M12 PolarHBondContact O-N 2.91Å; L10-K13 PolarHBondContact O-N 2.98Å; L10-Y14 HydrophobicContact CD1-CD2 3.6Å; L10-Y14 HydrophobicContact CD1-CE2 3.79Å; L10-Y14 HydrophobicContact CG-CD2 4.13Å; L10-Y14 WeakPolarHBondContact O-CB 3.45Å; L10-Y14 PolarHBondContact O-N 3.43Å; L10-I17 HydrophobicContact CD2-CD1 3.61Å; L10-I17 HydrophobicContact CG-CD1 3.72Å; L10-I238 HydrophobicContact CD2-CD1 3.73Å; L10-I238 HydrophobicContact CD2-CG2 4.12Å; L10-L308 HydrophobicContact CD1-CD1 4.09Å; L10-L308 HydrophobicContact CD2-CD2 4.34Å; L10-W334 HydrophobicContact CD1-CH2 4.09Å; L10-W334 HydrophobicContact CD1-CZ2 4.32Å
11S88.9Confident85.1Confident29 Ų2933.2 Ų33.220%0.20319%0.189CC..Hα-helixtrans-70.1-28.1179.456.50000113.4F7 R8 P15F7-S11 VanDerWaalsContact O-CB 3.31Å; F7-S11 WeakPolarHBondContact O-CB 3.42Å; F7-S11 PolarHBondContact O-N 3.31Å; F7-S11 PolarHBondContact O-OG 3.27Å; R8-S11 PolarHBondContact O-OG 3.09Å; S11-P15 WeakPolarHBondContact O-CA 3.27Å
12M89.1Confident87.1Confident37 Ų3734.8 Ų34.818%0.18220%0.201CC..Hα-helixtrans-72.5-41.2171-77.2-177.158.200112.7R8 W9 L10 Q870 Y897R8-M12 HydrophobicContact CG-SD 4.15Å; R8-M12 VanDerWaalsContact O-CB 3.31Å; R8-M12 WeakPolarHBondContact O-CB 3.17Å; R8-M12 VanDerWaalsContact O-CG 3.22Å; R8-M12 WeakPolarHBondContact O-CG 3.36Å; R8-M12 PolarHBondContact O-N 3.17Å; R8-M12 VanDerWaalsContact O-N 3.09Å; W9-M12 PolarHBondContact O-N 3.16Å; L10-M12 PolarHBondContact O-N 2.91Å; M12-Q870 PolarHBondContact O-N 3Å; M12-Y897 HydrophobicContact CE-CD1 3.81Å; M12-Y897 HydrophobicContact CE-CE1 3.53Å; M12-Y897 HydrophobicContact SD-CE1 4.02Å
13K92.2Very high88.5Confident32 Ų3235 Ų3514%0.13919%0.19CC..Hα-helixtrans-74.7-39.5-179-165.3177.2172.9-1780111.9W9 L10 P15 D315 D360 P869W9-K13 HydrophobicContact CH2-CD 4.15Å; W9-K13 HydrophobicContact CZ2-CD 3.62Å; W9-K13 WeakPolarHBondContact O-CB 3.28Å; W9-K13 PolarHBondContact O-N 3.11Å; L10-K13 PolarHBondContact O-N 2.98Å; K13-P15 VanDerWaalsContact C-CD 3.46Å; K13-P15 WeakPolarHBondContact O-CD 3.35Å; K13-D315 VanDerWaalsContact CE-OD2 3.25Å; K13-D315 WeakPolarHBondContact CE-OD2 3.01Å; K13-D315 IonicContact NZ-OD2 3.33Å; K13-D315 PolarHBondContact NZ-OD2 3.46Å; K13-D360 WeakPolarHBondContact CE-OD1 3.5Å; K13-D360 IonicContact NZ-OD1 2.71Å; K13-D360 PolarHBondContact NZ-OD1 2.97Å; K13-P869 WeakPolarHBondContact O-CG 3.1Å
14Y94.9Very high89.7Confident6 Ų637.5 Ų37.52%0.02420%0.197CC..SBendtrans-125.161.9-173.9-50.8-46.8000112.1W9 L10 S16 I17 L308 Y311 L312 D315W9-Y14 HydrophobicContact CH2-CE2 4.4Å; L10-Y14 HydrophobicContact CD1-CD2 3.6Å; L10-Y14 HydrophobicContact CD1-CE2 3.79Å; L10-Y14 HydrophobicContact CG-CD2 4.13Å; L10-Y14 WeakPolarHBondContact O-CB 3.45Å; L10-Y14 PolarHBondContact O-N 3.43Å; Y14-S16 PolarHBondContact O-N 3.48Å; Y14-I17 WeakPolarHBondContact O-CG1 3.27Å; Y14-I17 WeakPolarHBondContact O-CG2 3.28Å; Y14-I17 PolarHBondContact O-N 3.32Å; Y14-I17 VanDerWaalsContact O-N 3.16Å; Y14-L308 HydrophobicContact CD2-CD1 3.4Å; Y14-L308 VanDerWaalsContact CD2-CD1 3.4Å; Y14-L308 HydrophobicContact CE2-CD1 3.79Å; Y14-L308 HydrophobicContact CG-CD1 4.14Å; Y14-Y311 AromaticContact CD1-CD1 3.55Å; Y14-Y311 HydrophobicContact CD1-CD1 3.55Å; Y14-Y311 HydrophobicContact CD1-CD2 4.18Å; Y14-Y311 HydrophobicContact CD1-CE1 4.2Å; Y14-Y311 AromaticContact CD1-CG 3.53Å; Y14-Y311 HydrophobicContact CD1-CG 3.53Å; Y14-Y311 HydrophobicContact CE1-CD1 4.33Å; Y14-Y311 HydrophobicContact CE1-CG 4.3Å; Y14-Y311 HydrophobicContact CG-CD1 4.28Å; Y14-Y311 HydrophobicContact CG-CD2 4.12Å; Y14-Y311 AromaticContact CG-CG 3.92Å; Y14-Y311 HydrophobicContact CG-CG 3.92Å; Y14-L312 HydrophobicContact CE2-CD2 4.36Å; Y14-D315 PolarHBondContact OH-OD2 3.4Å
15P94.2Very high90Very high13 Ų1338 Ų388%0.08419%0.19CC..G310 helixtrans-60.9-24.2-166.921.4-33000115.7S11 K13 I17 Q867 P868 Q870S11-P15 WeakPolarHBondContact O-CA 3.27Å; K13-P15 VanDerWaalsContact C-CD 3.46Å; K13-P15 WeakPolarHBondContact O-CD 3.35Å; P15-I17 PolarHBondContact O-N 3.29Å; P15-Q867 HydrophobicContact CG-CB 4Å; P15-P868 WeakPolarHBondContact CG-O 3.24Å; P15-Q870 HydrophobicContact CB-CG 4.06Å; P15-Q870 HydrophobicContact CG-CG 4.12Å
16S95.4Very high89.9Confident11 Ų1137.4 Ų37.48%0.07719%0.186CC..G310 helixtrans-76.8-3.5-179.3-46.40000114.9Y14 V18 Y311 Q867Y14-S16 PolarHBondContact O-N 3.48Å; S16-V18 VanDerWaalsContact C-N 3.29Å; S16-Y311 WeakPolarHBondContact CB-OH 3.42Å; S16-Y311 PolarHBondContact N-OH 2.79Å; S16-Y311 PolarHBondContact OG-OH 2.83Å; S16-Q867 VanDerWaalsContact OG-CB 3.29Å; S16-Q867 WeakPolarHBondContact OG-CB 3.36Å; S16-Q867 WeakPolarHBondContact OG-CG 3.48Å; S16-Q867 PolarHBondContact OG-N 3.2Å
17I95.6Very high89.5Confident0 Ų041.1 Ų41.10%021%0.212CC..G310 helixtrans-74.2-22.1175.174.2-174.2000112.2L10 Y14 P15 I303 R304 V307 L308 Y311L10-I17 HydrophobicContact CD2-CD1 3.61Å; L10-I17 HydrophobicContact CG-CD1 3.72Å; Y14-I17 WeakPolarHBondContact O-CG1 3.27Å; Y14-I17 WeakPolarHBondContact O-CG2 3.28Å; Y14-I17 PolarHBondContact O-N 3.32Å; Y14-I17 VanDerWaalsContact O-N 3.16Å; P15-I17 PolarHBondContact O-N 3.29Å; I17-I303 HydrophobicContact CB-CG2 4.46Å; I17-I303 HydrophobicContact CD1-CG2 4.13Å; I17-I303 HydrophobicContact CG1-CG2 4.18Å; I17-I303 CarbonylContact O-C 3.51Å; I17-I303 WeakPolarHBondContact O-CA 3.45Å; I17-R304 PolarHBondContact O-N 3.04Å; I17-V307 HydrophobicContact CG2-CB 4.35Å; I17-V307 HydrophobicContact CG2-CG1 4.28Å; I17-L308 HydrophobicContact CG2-CB 3.9Å; I17-L308 HydrophobicContact CG2-CD1 4.36Å; I17-Y311 HydrophobicContact CG2-CD2 3.9Å; I17-Y311 HydrophobicContact CG2-CE2 3.9Å
18V94.4Very high89.1Confident38 Ų3844.9 Ų44.923%0.2323%0.232CC..EExtended strand (participates in β ladder)trans-98.1129.5-175.4-1750000110.7F7 S16 I301 F302F7-V18 HydrophobicContact CE2-CG2 4.21Å; F7-V18 HydrophobicContact CZ-CG2 3.88Å; S16-V18 VanDerWaalsContact C-N 3.29Å; V18-I301 HydrophobicContact CG1-CB 4.15Å; V18-I301 HydrophobicContact CG1-CD1 4.05Å; V18-I301 HydrophobicContact CG1-CG2 4.27Å; V18-F302 WeakPolarHBondContact CA-O 3.26Å
19T94.4Very high88.9Confident51 Ų5144.7 Ų44.731%0.31324%0.239SC..EExtended strand (participates in β ladder)trans-136.8131.8172.348.40000110.2F302 R304T19-F302 PolarHBondContact N-O 2.65Å; T19-F302 PolarHBondContact O-N 2.96Å; T19-R304 WeakPolarHBondContact OG1-CD 3.43Å
20H94.2Very high88.3Confident76 Ų7647.3 Ų47.335%0.35225%0.254SS..EExtended strand (participates in β ladder)trans-69.3140.6176.1-65.3-95.5000111.3E255H20-E255 IonicContact CE1-OE1 2.67Å; H20-E255 PolarHBondContact CE1-OE1 3.27Å; H20-E255 IonicContact CE1-OE2 3.82Å
21C94.8Very high87.4Confident22 Ų2255.7 Ų55.715%0.14930%0.299CS..  trans-75.1144.2177-57.60000111.2N46 I93 F300 F302C21-N46 WeakPolarHBondContact CA-OD1 3.16Å; C21-I93 HydrophobicContact CB-CG2 3.87Å; C21-F300 HydrophobicContact CB-CB 3.91Å; C21-F300 WeakPolarHBondContact CB-O 3.2Å; C21-F300 PolarHBondContact N-O 2.76Å; C21-F300 VanDerWaalsContact SG-C 3.59Å; C21-F302 HydrophobicContact CB-CE2 4.33Å; C21-F302 VanDerWaalsContact SG-CD2 3.53Å; C21-F302 VanDerWaalsContact SG-CE2 3.58Å
22V92.7Very high86.3Confident77 Ų7761.3 Ų61.347%0.46733%0.327SS..  trans-96.9108.8172.5-175.90000108.7P45 N46V22-P45 HydrophobicContact CB-CB 4.47Å; V22-P45 HydrophobicContact CG1-CB 4.05Å; V22-P45 WeakPolarHBondContact O-CG 3.26Å; V22-N46 PolarHBondContact N-OD1 3.34Å; V22-N46 PolarHBondContact O-ND2 3.26Å
23E89.2Confident85.2Confident52 Ų5261.2 Ų61.224%0.24334%0.335CS..  trans-95.9107.9179.1-167.4-176.9155.400110.5R25 R89 I93E23-R25 HydrophobicContact CG-CG 3.98Å; E23-R25 PolarHBondContact O-N 2.89Å; E23-R25 IonicContact OE1-CZ 2.68Å; E23-R25 IonicContact OE1-NE 3.26Å; E23-R25 PolarHBondContact OE1-NE 3.29Å; E23-R25 IonicContact OE1-NH2 3.26Å; E23-R25 PolarHBondContact OE1-NH2 2.74Å; E23-R25 IonicContact OE2-CZ 3.29Å; E23-R25 IonicContact OE2-NE 3.59Å; E23-R25 PolarHBondContact OE2-NE 3.07Å; E23-R25 IonicContact OE2-NH2 3.79Å; E23-R25 PolarHBondContact OE2-NH2 3.43Å; E23-R89 IonicContact OE1-CZ 3.89Å; E23-R89 IonicContact OE1-NE 2.8Å; E23-R89 PolarHBondContact OE1-NE 3.47Å; E23-R89 VanDerWaalsContact OE1-NE 3.17Å; E23-R89 IonicContact OE1-NH2 2.71Å; E23-R89 IonicContact OE2-CZ 3.78Å; E23-R89 IonicContact OE2-NE 2.66Å; E23-R89 PolarHBondContact OE2-NE 3.42Å; E23-R89 IonicContact OE2-NH2 3.38Å; E23-R89 PolarHBondContact OE2-NH2 3.36Å; E23-I93 HydrophobicContact CB-CG1 4.36Å; E23-I93 HydrophobicContact CG-CD1 4.28Å; E23-I93 HydrophobicContact CG-CG1 3.99Å
24K85.2Confident84.1Confident91 Ų9164.1 Ų64.140%0.39635%0.352SS..  trans-75.3102.4169.6-179.9178.4176.6178.30108.3V38 E42 P45K24-V38 HydrophobicContact CB-CG1 4.42Å; K24-V38 HydrophobicContact CD-CG1 4.15Å; K24-V38 HydrophobicContact CG-CG1 4.12Å; K24-V38 VanDerWaalsContact O-CG2 3.31Å; K24-V38 WeakPolarHBondContact O-CG2 3.25Å; K24-E42 VanDerWaalsContact NZ-CD 3.35Å; K24-E42 IonicContact NZ-OE1 2.66Å; K24-E42 PolarHBondContact NZ-OE1 3.38Å; K24-E42 IonicContact NZ-OE2 3.63Å; K24-E42 PolarHBondContact NZ-OE2 2.94Å; K24-P45 HydrophobicContact CB-CG 4.17Å
25R78.9Confident83.2Confident84 Ų8469.1 Ų69.132%0.31737%0.371SS..PPolyproline II helixtrans-91.5149.1173.4-62.5-168.8179.7154.516.6111.7E23 D297E23-R25 HydrophobicContact CG-CG 3.98Å; E23-R25 PolarHBondContact O-N 2.89Å; E23-R25 IonicContact OE1-CZ 2.68Å; E23-R25 IonicContact OE1-NE 3.26Å; E23-R25 PolarHBondContact OE1-NE 3.29Å; E23-R25 IonicContact OE1-NH2 3.26Å; E23-R25 PolarHBondContact OE1-NH2 2.74Å; E23-R25 IonicContact OE2-CZ 3.29Å; E23-R25 IonicContact OE2-NE 3.59Å; E23-R25 PolarHBondContact OE2-NE 3.07Å; E23-R25 IonicContact OE2-NH2 3.79Å; E23-R25 PolarHBondContact OE2-NH2 3.43Å; R25-D297 IonicContact CZ-OD2 2.69Å; R25-D297 VanDerWaalsContact CZ-OD2 3.24Å; R25-D297 IonicContact NH1-OD2 3.45Å; R25-D297 PolarHBondContact NH1-OD2 3.02Å; R25-D297 IonicContact NH2-OD2 3.16Å
26G76Confident82.5Confident12 Ų1270 Ų7012%0.12438%0.377CS..PPolyproline II helixtrans-68164.5173.500000113.7S36 V38G26-S36 WeakPolarHBondContact CA-O 3.28Å; G26-S36 VanDerWaalsContact CA-OG 3.23Å; G26-S36 WeakPolarHBondContact CA-OG 3.07Å; G26-V38 VanDerWaalsContact N-CG2 3.34Å
27S77.7Confident81.8Confident79 Ų7975.4 Ų75.455%0.55241%0.412SS*.PPolyproline II helixtrans-68.3138.1169.953.50000110L29 R35 S36S27-L29 PolarHBondContact O-N 3.08Å; S27-R35 CarbonylContact O-C 3.56Å; S27-R35 WeakPolarHBondContact O-CA 3.27Å; S27-S36 PolarHBondContact N-OG 3.47Å; S27-S36 PolarHBondContact O-N 3.36Å; S27-S36 PolarHBondContact OG-OG 2.9Å
28I78.8Confident81.4Confident107 Ų10777.1 Ų77.155%0.54942%0.422SS..BIsolated β-bridgetrans-62.3132.3172.8-61.3170000108.7D30 N34 R35I28-D30 WeakPolarHBondContact CG2-O 3.05Å; I28-N34 CarbonylContact C-O 3.58Å; I28-N34 WeakPolarHBondContact CA-O 3.26Å; I28-R35 HydrophobicContact CG1-CG 4.36Å
29L80Confident81.2Confident116 Ų11678.8 Ų78.861%0.60743%0.43SS*.  trans-99.9-30.4-175.7-66.3178.3000112.8S27 N34S27-L29 PolarHBondContact O-N 3.08Å; L29-N34 PolarHBondContact N-O 2.76Å
30D76.9Confident81.1Confident60 Ų6076.7 Ų76.732%0.32142%0.417SS..SBendtrans-145.3169.1-175.351.835.6000111.9I28 D32 G33 N34I28-D30 WeakPolarHBondContact CG2-O 3.05Å; D30-D32 PolarHBondContact O-N 3.27Å; D30-D32 PolarHBondContact OD1-N 3.14Å; D30-G33 PolarHBondContact O-N 3.34Å; D30-G33 VanDerWaalsContact O-N 3.09Å; D30-G33 PolarHBondContact OD1-N 3.3Å; D30-N34 VanDerWaalsContact OD1-CB 3.28Å; D30-N34 WeakPolarHBondContact OD1-CB 3.48Å; D30-N34 PolarHBondContact OD1-N 3.04Å; D30-N34 PolarHBondContact OD1-ND2 3.38Å; D30-N34 WeakPolarHBondContact OD2-CB 3.19Å; D30-N34 PolarHBondContact OD2-ND2 3.49Å
31D71.9Confident81.1Confident176 Ų17676 Ų7694%0.94142%0.421SS*.THydrogen-bonded Turntrans-68.5-18.7-179.2-63.5-41.4000112.9G33D31-G33 PolarHBondContact O-N 2.97Å
32D65.1Low81Confident148 Ų14878.5 Ų78.579%0.79143%0.43SS*.THydrogen-bonded Turntrans-72.8-10.8172.6-63.9-42.9000112.5D30D30-D32 PolarHBondContact O-N 3.27Å; D30-D32 PolarHBondContact OD1-N 3.14Å
33G67.3Low81.1Confident34 Ų3479.7 Ų79.735%0.35144%0.439SS..  trans89.48.9175.400000114.7D30 D31D30-G33 PolarHBondContact O-N 3.34Å; D30-G33 VanDerWaalsContact O-N 3.09Å; D30-G33 PolarHBondContact OD1-N 3.3Å; D31-G33 PolarHBondContact O-N 2.97Å
34N69.5Low81.4Confident93 Ų9377.6 Ų77.650%0.49743%0.43SS..  trans-60.6141.8175.3-62.8-56.3000109.6I28 L29 D30I28-N34 CarbonylContact C-O 3.58Å; I28-N34 WeakPolarHBondContact CA-O 3.26Å; L29-N34 PolarHBondContact N-O 2.76Å; D30-N34 VanDerWaalsContact OD1-CB 3.28Å; D30-N34 WeakPolarHBondContact OD1-CB 3.48Å; D30-N34 PolarHBondContact OD1-N 3.04Å; D30-N34 PolarHBondContact OD1-ND2 3.38Å; D30-N34 WeakPolarHBondContact OD2-CB 3.19Å; D30-N34 PolarHBondContact OD2-ND2 3.49Å
35R75.5Confident81.9Confident112 Ų11275.5 Ų75.542%0.42343%0.426SS..BIsolated β-bridgetrans-112.8150.5-174.3-60.1-176.5-172.5-121.68.7111.7S27 I28S27-R35 CarbonylContact O-C 3.56Å; S27-R35 WeakPolarHBondContact O-CA 3.27Å; I28-R35 HydrophobicContact CG1-CG 4.36Å
36S79.8Confident82.7Confident31 Ų3173.1 Ų73.122%0.21742%0.419CS..PPolyproline II helixtrans-56.7140.8170.4700000110.1G26 S27 V38G26-S36 WeakPolarHBondContact CA-O 3.28Å; G26-S36 VanDerWaalsContact CA-OG 3.23Å; G26-S36 WeakPolarHBondContact CA-OG 3.07Å; S27-S36 PolarHBondContact N-OG 3.47Å; S27-S36 PolarHBondContact O-N 3.36Å; S27-S36 PolarHBondContact OG-OG 2.9Å; S36-V38 PolarHBondContact O-N 3.24Å
37P80.3Confident83.4Confident124 Ų12476.1 Ų76.181%0.80545%0.45SS*.PPolyproline II helixtrans-52140.8169.9-26.835.4000111.2
38V86.6Confident84.1Confident37 Ų3774.8 Ų74.822%0.22444%0.435CS..PPolyproline II helixtrans-98.4125.8176176.30000107.3K24 G26 S36 T40K24-V38 HydrophobicContact CB-CG1 4.42Å; K24-V38 HydrophobicContact CD-CG1 4.15Å; K24-V38 HydrophobicContact CG-CG1 4.12Å; K24-V38 VanDerWaalsContact O-CG2 3.31Å; K24-V38 WeakPolarHBondContact O-CG2 3.25Å; G26-V38 VanDerWaalsContact N-CG2 3.34Å; S36-V38 PolarHBondContact O-N 3.24Å; V38-T40 PolarHBondContact O-N 3.45Å; V38-T40 VanDerWaalsContact O-N 3.12Å
39D90.5Very high84.9Confident72 Ų7272.7 Ų72.739%0.38542%0.423SS..  trans-67.6113.8172.3-167.6-15.2000109.6S41 E42 R95D39-S41 VanDerWaalsContact CG-OG 3.32Å; D39-S41 WeakPolarHBondContact OD1-CA 3.49Å; D39-S41 VanDerWaalsContact OD1-CB 3.25Å; D39-S41 WeakPolarHBondContact OD1-CB 3.39Å; D39-S41 PolarHBondContact OD1-N 3.38Å; D39-S41 PolarHBondContact OD1-OG 3.43Å; D39-S41 PolarHBondContact OD2-OG 3.25Å; D39-E42 HydrophobicContact CB-CG 4.07Å; D39-R95 PolarHBondContact O-NH1 2.9Å; D39-R95 VanDerWaalsContact O-NH1 3.12Å; D39-R95 PolarHBondContact O-NH2 3.18Å; D39-R95 VanDerWaalsContact O-NH2 3.09Å
40T93.1Very high85.8Confident8 Ų867.4 Ų67.45%0.04940%0.395CS..SBendtrans-89.4-11.2179.353.70000112.2V38 E42 F91 R97 D186 G188V38-T40 PolarHBondContact O-N 3.45Å; V38-T40 VanDerWaalsContact O-N 3.12Å; T40-E42 VanDerWaalsContact C-N 3.34Å; T40-F91 HydrophobicContact CG2-CD1 4.13Å; T40-F91 HydrophobicContact CG2-CE1 4.27Å; T40-R97 PolarHBondContact O-NH1 3.42Å; T40-D186 PolarHBondContact OG1-OD1 3.18Å; T40-G188 WeakPolarHBondContact OG1-CA 3.45Å
41S92.6Very high86.8Confident61 Ų6165.7 Ų65.743%0.42739%0.386SS..SBendtrans-75.2-22.8172.678.50000112.9D39D39-S41 VanDerWaalsContact CG-OG 3.32Å; D39-S41 WeakPolarHBondContact OD1-CA 3.49Å; D39-S41 VanDerWaalsContact OD1-CB 3.25Å; D39-S41 WeakPolarHBondContact OD1-CB 3.39Å; D39-S41 PolarHBondContact OD1-N 3.38Å; D39-S41 PolarHBondContact OD1-OG 3.43Å; D39-S41 PolarHBondContact OD2-OG 3.25Å
42E93.7Very high88.1Confident74 Ų7457.6 Ų57.635%0.34634%0.343SS..SBendtrans-59.8157.3170.2-72.8179.8158.800112.7K24 D39 T40 R95 R97K24-E42 VanDerWaalsContact NZ-CD 3.35Å; K24-E42 IonicContact NZ-OE1 2.66Å; K24-E42 PolarHBondContact NZ-OE1 3.38Å; K24-E42 IonicContact NZ-OE2 3.63Å; K24-E42 PolarHBondContact NZ-OE2 2.94Å; D39-E42 HydrophobicContact CB-CG 4.07Å; T40-E42 VanDerWaalsContact C-N 3.34Å; E42-R95 PolarHBondContact O-NH1 2.69Å; E42-R97 PolarHBondContact O-NH2 3.44Å
43P94.9Very high89.7Confident102 Ų10250.6 Ų50.666%0.66231%0.305SS*.PPolyproline II helixtrans-52.1148.5173.6-26.735.3000114E49 R95P43-E49 VanDerWaalsContact CA-OE1 3.26Å; P43-E49 WeakPolarHBondContact CA-OE1 3.33Å; P43-R95 PolarHBondContact O-NH1 3.39Å
44N96.2Very high91.2Very high9 Ų949 Ų495%0.04829%0.289CS..PPolyproline II helixtrans-71.4124.8-175.1-169.4-41.3000111.8N46 G47 E48 E49 I93 V94N44-N46 PolarHBondContact O-N 3.12Å; N44-N46 VanDerWaalsContact O-N 3.13Å; N44-N46 VanDerWaalsContact OD1-CB 3.27Å; N44-N46 WeakPolarHBondContact OD1-CB 3.39Å; N44-N46 PolarHBondContact OD1-N 3.35Å; N44-N46 PolarHBondContact OD1-ND2 3.13Å; N44-G47 PolarHBondContact O-N 2.97Å; N44-G47 VanDerWaalsContact O-N 3.14Å; N44-E48 WeakPolarHBondContact CB-O 3.43Å; N44-E49 PolarHBondContact N-OE1 3.46Å; N44-I93 PolarHBondContact ND2-O 2.82Å; N44-I93 PolarHBondContact OD1-O 3.49Å; N44-V94 VanDerWaalsContact ND2-C 3.31Å; N44-V94 PolarHBondContact ND2-O 3Å
45P94.9Very high92.5Very high47 Ų4744.6 Ų44.631%0.30527%0.265SS..THydrogen-bonded Turntrans-64.7-14.5-179.328.4-37.8000114.7V22 K24 G47V22-P45 HydrophobicContact CB-CB 4.47Å; V22-P45 HydrophobicContact CG1-CB 4.05Å; V22-P45 WeakPolarHBondContact O-CG 3.26Å; K24-P45 HydrophobicContact CB-CG 4.17Å; P45-G47 PolarHBondContact O-N 2.71Å
46N94.7Very high93.6Very high33 Ų3339.9 Ų39.918%0.17625%0.248CC..THydrogen-bonded Turntrans-74-10175.5-66.1-83.7000113.3C21 V22 N44 E48 I93 F302C21-N46 WeakPolarHBondContact CA-OD1 3.16Å; V22-N46 PolarHBondContact N-OD1 3.34Å; V22-N46 PolarHBondContact O-ND2 3.26Å; N44-N46 PolarHBondContact O-N 3.12Å; N44-N46 VanDerWaalsContact O-N 3.13Å; N44-N46 VanDerWaalsContact OD1-CB 3.27Å; N44-N46 WeakPolarHBondContact OD1-CB 3.39Å; N44-N46 PolarHBondContact OD1-N 3.35Å; N44-N46 PolarHBondContact OD1-ND2 3.13Å; N46-E48 VanDerWaalsContact C-N 3.27Å; N46-E48 PolarHBondContact O-N 2.93Å; N46-I93 PolarHBondContact ND2-O 3.41Å; N46-F302 HydrophobicContact CB-CE2 4.12Å
47G91.5Very high94.4Very high75 Ų7538.4 Ų38.477%0.77324%0.238SC*.SBendtrans82-0.3-179.100000114.6N44 P45N44-G47 PolarHBondContact O-N 2.97Å; N44-G47 VanDerWaalsContact O-N 3.14Å; P45-G47 PolarHBondContact O-N 2.71Å
48E91.7Very high94.9Very high52 Ų5233.1 Ų33.124%0.24320%0.203CC..  trans-130135.3168.664.3-171.6169.900111.2N44 N46 F50N44-E48 WeakPolarHBondContact CB-O 3.43Å; N46-E48 VanDerWaalsContact C-N 3.27Å; N46-E48 PolarHBondContact O-N 2.93Å; E48-F50 HydrophobicContact CG-CE2 3.91Å; E48-F50 HydrophobicContact CG-CZ 3.8Å
49E96.7Very high95Very high62 Ų6232.7 Ų32.729%0.2921%0.206SC..  trans-86149171.1-63-64.1157.400110.4P43 N44 R97 K227P43-E49 VanDerWaalsContact CA-OE1 3.26Å; P43-E49 WeakPolarHBondContact CA-OE1 3.33Å; N44-E49 PolarHBondContact N-OE1 3.46Å; E49-R97 IonicContact OE1-NH2 2.68Å; E49-R97 IonicContact OE2-CZ 3.8Å; E49-R97 IonicContact OE2-NE 3.85Å; E49-R97 PolarHBondContact OE2-NE 2.76Å; E49-R97 IonicContact OE2-NH2 2.86Å; E49-R97 PolarHBondContact OE2-NH2 3.1Å; E49-K227 WeakPolarHBondContact O-CD 3.19Å; E49-K227 PolarHBondContact O-NZ 2.85Å
50F98.2Very high95.2Very high5 Ų529.3 Ų29.32%0.02219%0.188CC..EExtended strand (participates in β ladder)trans-118.3139175.2-64.9-83.9000110.8E48 V94 P96 R97 C229 T250 F302E48-F50 HydrophobicContact CG-CE2 3.91Å; E48-F50 HydrophobicContact CG-CZ 3.8Å; F50-V94 HydrophobicContact CB-CG1 3.88Å; F50-V94 HydrophobicContact CD2-CG1 3.75Å; F50-V94 WeakPolarHBondContact CD2-O 3.48Å; F50-V94 HydrophobicContact CE2-CG1 4.47Å; F50-V94 HydrophobicContact CG-CG1 3.87Å; F50-P96 CarbonylContact O-C 3.48Å; F50-P96 WeakPolarHBondContact O-CA 3.38Å; F50-R97 WeakPolarHBondContact O-CG 3.47Å; F50-R97 PolarHBondContact O-N 3.49Å; F50-C229 HydrophobicContact CB-CB 4.43Å; F50-C229 HydrophobicContact CD1-CB 3.63Å; F50-C229 HydrophobicContact CE1-CB 4Å; F50-C229 HydrophobicContact CG-CB 4.02Å; F50-T250 HydrophobicContact CE1-CG2 4.31Å; F50-T250 HydrophobicContact CZ-CG2 4.38Å; F50-F302 HydrophobicContact CE2-CE1 4.26Å; F50-F302 HydrophobicContact CE2-CE2 4.37Å; F50-F302 AromaticContact CE2-CZ 3.81Å; F50-F302 HydrophobicContact CE2-CZ 3.81Å; F50-F302 HydrophobicContact CZ-CE1 4.09Å; F50-F302 HydrophobicContact CZ-CE2 4.42Å; F50-F302 AromaticContact CZ-CZ 3.98Å; F50-F302 HydrophobicContact CZ-CZ 3.98Å
51D98.3Very high95.2Very high24 Ų2429 Ų2913%0.12819%0.186CC..EExtended strand (participates in β ladder)trans-83.3-48.5177.6-65.9-68.3000110.5R97 R98 V99 T226 K227D51-R97 PolarHBondContact O-N 3.39Å; D51-R97 VanDerWaalsContact O-N 3.15Å; D51-R98 HydrophobicContact CB-CG 4.01Å; D51-R98 VanDerWaalsContact CG-NE 3.29Å; D51-R98 PolarHBondContact O-N 3.03Å; D51-R98 IonicContact OD1-CZ 3.09Å; D51-R98 IonicContact OD1-NE 3.66Å; D51-R98 PolarHBondContact OD1-NE 2.89Å; D51-R98 IonicContact OD1-NH2 2.74Å; D51-R98 PolarHBondContact OD1-NH2 3.46Å; D51-R98 IonicContact OD2-NH2 3.09Å; D51-V99 PolarHBondContact O-N 2.79Å; D51-V99 VanDerWaalsContact O-N 3.12Å; D51-T226 HydrophobicContact CB-CG2 3.95Å; D51-K227 PolarHBondContact N-O 3.22Å; D51-K227 WeakPolarHBondContact OD2-CB 3.25Å; D51-K227 PolarHBondContact OD2-N 3.35Å
52N98.6Very high95.1Very high6 Ų628.6 Ų28.63%0.03218%0.177CC..EExtended strand (participates in β ladder)trans-124.2125.8-172-62-2.6000111Y54 V99 T226 K227 C229N52-Y54 HydrophobicContact CB-CD2 4.47Å; N52-Y54 HydrophobicContact CB-CE2 3.53Å; N52-Y54 WeakPolarHBondContact CB-OH 3.14Å; N52-Y54 PolarHBondContact ND2-OH 3.22Å; N52-V99 WeakPolarHBondContact CA-O 3.39Å; N52-V99 HydrophobicContact CB-CB 4.11Å; N52-V99 WeakPolarHBondContact OD1-CB 3.47Å; N52-V99 WeakPolarHBondContact OD1-CG2 3.47Å; N52-T226 WeakPolarHBondContact ND2-CG2 3.34Å; N52-K227 PolarHBondContact N-O 3.35Å; N52-C229 PolarHBondContact O-N 2.88Å
53L98.6Very high94.8Very high1 Ų127.4 Ų27.41%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-105.4126.5169.2172.756.5000109.5L55 V94 P96 V99 L100 Y101 C229L53-L55 HydrophobicContact CD1-CD2 3.69Å; L53-L55 HydrophobicContact CD2-CD2 4.07Å; L53-L55 HydrophobicContact CG-CD2 3.82Å; L53-L55 HydrophobicContact CG-CG 4.31Å; L53-V94 HydrophobicContact CB-CG1 4.2Å; L53-V94 HydrophobicContact CD1-CB 4.42Å; L53-V94 HydrophobicContact CD1-CG1 4.15Å; L53-V94 HydrophobicContact CD1-CG2 4.23Å; L53-V94 HydrophobicContact CD2-CB 4.1Å; L53-V94 HydrophobicContact CD2-CG1 4.29Å; L53-V94 HydrophobicContact CD2-CG2 4.48Å; L53-V94 HydrophobicContact CG-CG1 4.45Å; L53-P96 HydrophobicContact CB-CB 3.73Å; L53-P96 HydrophobicContact CB-CG 3.78Å; L53-P96 HydrophobicContact CD2-CG 4.21Å; L53-V99 PolarHBondContact N-O 3.01Å; L53-L100 HydrophobicContact CB-CD1 4.05Å; L53-L100 HydrophobicContact CD2-CD1 3.84Å; L53-L100 HydrophobicContact CG-CD1 3.8Å; L53-L100 CarbonylContact O-C 3.46Å; L53-L100 WeakPolarHBondContact O-CA 3.39Å; L53-Y101 PolarHBondContact O-N 3.33Å; L53-C229 CarbonylContact C-O 3.45Å; L53-C229 WeakPolarHBondContact CA-O 3.27Å; L53-C229 HydrophobicContact CD1-CB 4.34Å; L53-C229 WeakPolarHBondContact CD1-O 3.37Å
54Y98.7Very high94.6Very high2 Ų223.1 Ų23.11%0.00815%0.148CC..EExtended strand (participates in β ladder)trans-111.5128.7175.3-52.8-90000108.7N52 Y101 I209 F212 I213 H228 C229 C231N52-Y54 HydrophobicContact CB-CD2 4.47Å; N52-Y54 HydrophobicContact CB-CE2 3.53Å; N52-Y54 WeakPolarHBondContact CB-OH 3.14Å; N52-Y54 PolarHBondContact ND2-OH 3.22Å; Y54-Y101 CarbonylContact C-O 3.54Å; Y54-Y101 WeakPolarHBondContact CA-O 3.43Å; Y54-Y101 HydrophobicContact CD1-CG 4.21Å; Y54-I209 HydrophobicContact CD1-CB 4.42Å; Y54-I209 HydrophobicContact CD1-CG1 4.24Å; Y54-I209 HydrophobicContact CD1-CG2 3.56Å; Y54-I209 HydrophobicContact CE1-CG2 4.31Å; Y54-I209 HydrophobicContact CG-CG2 3.7Å; Y54-F212 AromaticContact CE1-CD1 3.86Å; Y54-F212 HydrophobicContact CE1-CD1 3.86Å; Y54-F212 HydrophobicContact CE1-CE1 4.03Å; Y54-I213 HydrophobicContact CD1-CD1 4.38Å; Y54-I213 HydrophobicContact CD2-CD1 4.31Å; Y54-I213 HydrophobicContact CE1-CD1 3.95Å; Y54-I213 HydrophobicContact CE1-CG1 3.81Å; Y54-I213 HydrophobicContact CE2-CD1 3.88Å; Y54-I213 HydrophobicContact CE2-CG1 4.4Å; Y54-H228 HydrophobicContact CE2-CB 3.91Å; Y54-H228 AromaticContact CE2-ND1 3.38Å; Y54-H228 WeakPolarHBondContact CE2-ND1 3.47Å; Y54-H228 AromaticContact CZ-ND1 3.55Å; Y54-H228 PolarHBondContact OH-CE1 3.08Å; Y54-H228 PolarHBondContact OH-ND1 3.41Å; Y54-C229 WeakPolarHBondContact CD2-O 3.44Å; Y54-C229 PolarHBondContact N-O 3.03Å; Y54-C231 PolarHBondContact O-N 3.11Å
55L98.3Very high94.2Very high0 Ų022.8 Ų22.80%015%0.146CC..EExtended strand (participates in β ladder)trans-113.4113.4177.8-57.2-174.8000109.1L53 M57 I60 I87 L90 L100 Y101 M102 A103 C231L53-L55 HydrophobicContact CD1-CD2 3.69Å; L53-L55 HydrophobicContact CD2-CD2 4.07Å; L53-L55 HydrophobicContact CG-CD2 3.82Å; L53-L55 HydrophobicContact CG-CG 4.31Å; L55-M57 HydrophobicContact CB-SD 4.02Å; L55-M57 HydrophobicContact CD1-SD 4.29Å; L55-M57 PolarHBondContact O-N 3.35Å; L55-I60 HydrophobicContact CB-CD1 4.28Å; L55-I60 HydrophobicContact CD1-CD1 4.21Å; L55-I60 HydrophobicContact CD2-CD1 4.48Å; L55-I87 HydrophobicContact CD1-CG1 4.34Å; L55-I87 HydrophobicContact CD1-CG2 3.87Å; L55-L90 HydrophobicContact CD2-CD1 3.77Å; L55-L100 HydrophobicContact CD1-CD1 4.05Å; L55-L100 HydrophobicContact CG-CD1 4.1Å; L55-Y101 PolarHBondContact N-O 3.21Å; L55-M102 HydrophobicContact CD1-CG 4.33Å; L55-A103 PolarHBondContact O-N 2.91Å; L55-C231 HydrophobicContact CD2-CB 3.5Å; L55-C231 VanDerWaalsContact CD2-CB 3.5Å
56D96.9Very high93.6Very high12 Ų1224.1 Ų24.16%0.06415%0.148CC..EExtended strand (participates in β ladder)trans-69.2107.1153.2167.823.7000107.6N58 G59 C231D56-N58 VanDerWaalsContact C-N 3.29Å; D56-N58 PolarHBondContact O-N 2.71Å; D56-N58 PolarHBondContact OD1-N 2.96Å; D56-G59 PolarHBondContact OD2-N 3.44Å; D56-C231 PolarHBondContact N-O 3.01Å
57M96.8Very high92.8Very high0 Ų024.2 Ų24.20%015%0.151CC..SBendtrans-70.9-25.5-177.4-68.5-61.4-50.300111.9L55 G59 I60 I61 I83 I87 M102 A103 I104 L175L55-M57 HydrophobicContact CB-SD 4.02Å; L55-M57 HydrophobicContact CD1-SD 4.29Å; L55-M57 PolarHBondContact O-N 3.35Å; M57-G59 VanDerWaalsContact C-N 3.33Å; M57-G59 PolarHBondContact O-N 2.92Å; M57-I60 HydrophobicContact CE-CD1 4.47Å; M57-I60 CarbonylContact O-C 3.58Å; M57-I60 WeakPolarHBondContact O-CA 3.39Å; M57-I60 WeakPolarHBondContact O-CB 3.37Å; M57-I60 PolarHBondContact O-N 2.82Å; M57-I60 HydrophobicContact SD-CD1 4.12Å; M57-I61 HydrophobicContact CB-CD1 4.06Å; M57-I61 WeakPolarHBondContact O-CD1 3.43Å; M57-I61 WeakPolarHBondContact O-CG1 3.27Å; M57-I61 PolarHBondContact O-N 3.42Å; M57-I83 HydrophobicContact CE-CG2 3.93Å; M57-I87 HydrophobicContact CE-CD1 4.01Å; M57-I87 HydrophobicContact CE-CG1 4.3Å; M57-M102 HydrophobicContact CE-CE 4.18Å; M57-M102 HydrophobicContact CG-CB 4.27Å; M57-M102 HydrophobicContact SD-CB 4.19Å; M57-M102 HydrophobicContact SD-CE 3.69Å; M57-A103 VanDerWaalsContact CB-O 3.27Å; M57-A103 WeakPolarHBondContact CB-O 3.32Å; M57-A103 WeakPolarHBondContact CG-O 3.36Å; M57-A103 PolarHBondContact N-O 3.12Å; M57-I104 HydrophobicContact CB-CB 4.43Å; M57-I104 HydrophobicContact CB-CG1 3.86Å; M57-I104 HydrophobicContact CG-CG1 3.94Å; M57-L175 HydrophobicContact CE-CD1 4.31Å; M57-L175 HydrophobicContact CE-CD2 4.11Å
58N92.1Very high91.8Very high14 Ų1426.7 Ų26.78%0.07514%0.142CC..Hα-helixtrans-68.5-37.2179.7-84.231.2000111D56 I60 I61 H62 D105D56-N58 VanDerWaalsContact C-N 3.29Å; D56-N58 PolarHBondContact O-N 2.71Å; D56-N58 PolarHBondContact OD1-N 2.96Å; N58-I60 PolarHBondContact O-N 3.47Å; N58-I60 VanDerWaalsContact O-N 3.13Å; N58-I61 PolarHBondContact O-N 3.23Å; N58-H62 PolarHBondContact O-CD2 2.86Å; N58-H62 PolarHBondContact O-N 3.4Å; N58-D105 VanDerWaalsContact ND2-CB 3.28Å; N58-D105 WeakPolarHBondContact ND2-CB 3.32Å; N58-D105 PolarHBondContact ND2-OD2 3.45Å; N58-D105 PolarHBondContact OD1-N 3.34Å
59G88.2Confident90.7Very high28 Ų2827.7 Ų27.729%0.28915%0.149SC..Hα-helixtrans-59.4-15.5167.800000115.4D56 M57 P63D56-G59 PolarHBondContact OD2-N 3.44Å; M57-G59 VanDerWaalsContact C-N 3.33Å; M57-G59 PolarHBondContact O-N 2.92Å; G59-P63 VanDerWaalsContact O-CD 3.29Å; G59-P63 WeakPolarHBondContact O-CD 3.48Å; G59-P63 WeakPolarHBondContact O-CG 3.45Å
60I93.7Very high89.4Confident1 Ų130.6 Ų30.61%0.00516%0.161CC..Hα-helixtrans-101.5-44.2176.7-59.6173.3000111.4L55 M57 N58 H62 P63 C64 I83 Y86 L90L55-I60 HydrophobicContact CB-CD1 4.28Å; L55-I60 HydrophobicContact CD1-CD1 4.21Å; L55-I60 HydrophobicContact CD2-CD1 4.48Å; M57-I60 HydrophobicContact CE-CD1 4.47Å; M57-I60 CarbonylContact O-C 3.58Å; M57-I60 WeakPolarHBondContact O-CA 3.39Å; M57-I60 WeakPolarHBondContact O-CB 3.37Å; M57-I60 PolarHBondContact O-N 2.82Å; M57-I60 HydrophobicContact SD-CD1 4.12Å; N58-I60 PolarHBondContact O-N 3.47Å; N58-I60 VanDerWaalsContact O-N 3.13Å; I60-H62 VanDerWaalsContact C-N 3.32Å; I60-H62 PolarHBondContact O-N 2.9Å; I60-P63 WeakPolarHBondContact O-CD 3.33Å; I60-C64 WeakPolarHBondContact O-CB 3.41Å; I60-C64 PolarHBondContact O-N 3.32Å; I60-C64 VanDerWaalsContact O-N 3.16Å; I60-C64 PolarHBondContact O-SG 2.89Å; I60-C64 VanDerWaalsContact O-SG 3.33Å; I60-I83 HydrophobicContact CG2-CG2 4.41Å; I60-Y86 HydrophobicContact CB-CD1 4.27Å; I60-Y86 HydrophobicContact CD1-CD1 4.2Å; I60-Y86 HydrophobicContact CG1-CD1 3.88Å; I60-Y86 HydrophobicContact CG1-CE1 3.93Å; I60-Y86 HydrophobicContact CG2-CD1 3.6Å; I60-Y86 HydrophobicContact CG2-CE1 4.32Å; I60-Y86 HydrophobicContact CG2-CG 3.86Å; I60-L90 HydrophobicContact CD1-CD1 3.68Å; I60-L90 HydrophobicContact CG1-CD1 4.34Å
61I94.5Very high88.3Confident0 Ų035.4 Ų35.40%019%0.193CC..Hα-helixtrans-62-39.9-177.1-63.9154.8000111M57 N58 C64 T65 I83 I104 I161 F167 L171M57-I61 HydrophobicContact CB-CD1 4.06Å; M57-I61 WeakPolarHBondContact O-CD1 3.43Å; M57-I61 WeakPolarHBondContact O-CG1 3.27Å; M57-I61 PolarHBondContact O-N 3.42Å; N58-I61 PolarHBondContact O-N 3.23Å; I61-C64 PolarHBondContact O-N 2.8Å; I61-T65 HydrophobicContact CG2-CG2 4.12Å; I61-T65 WeakPolarHBondContact O-CB 3.15Å; I61-T65 VanDerWaalsContact O-CG2 3.3Å; I61-T65 WeakPolarHBondContact O-CG2 3.38Å; I61-T65 PolarHBondContact O-N 3.4Å; I61-T65 PolarHBondContact O-OG1 3.42Å; I61-I83 HydrophobicContact CB-CD1 4.43Å; I61-I83 HydrophobicContact CG1-CD1 4.01Å; I61-I83 HydrophobicContact CG2-CD1 4.35Å; I61-I104 HydrophobicContact CD1-CG2 4.35Å; I61-I161 HydrophobicContact CG2-CD1 3.94Å; I61-I161 HydrophobicContact CG2-CG1 3.99Å; I61-I161 HydrophobicContact CG2-CG2 3.88Å; I61-F167 HydrophobicContact CG2-CE1 4.19Å; I61-F167 HydrophobicContact CG2-CZ 4.37Å; I61-L171 HydrophobicContact CD1-CD2 3.54Å; I61-L171 HydrophobicContact CG1-CD2 3.91Å
62H89.8Confident87.5Confident54 Ų5437.1 Ų37.125%0.2521%0.21CC..Hα-helixtrans-61.3-60179.1-85-84.7000112N58 I60 C64 T65 H66N58-H62 PolarHBondContact O-CD2 2.86Å; N58-H62 PolarHBondContact O-N 3.4Å; I60-H62 VanDerWaalsContact C-N 3.32Å; I60-H62 PolarHBondContact O-N 2.9Å; H62-C64 VanDerWaalsContact C-N 3.27Å; H62-C64 PolarHBondContact O-N 2.99Å; H62-T65 PolarHBondContact O-N 3.38Å; H62-T65 PolarHBondContact O-OG1 2.83Å; H62-H66 AromaticContact CG-CE1 3.76Å; H62-H66 AromaticContact CG-NE2 3.83Å; H62-H66 AromaticContact ND1-CE1 3.09Å; H62-H66 PolarHBondContact ND1-CE1 3.43Å; H62-H66 AromaticContact ND1-NE2 3.08Å; H62-H66 PolarHBondContact ND1-NE2 3.35Å; H62-H66 PolarHBondContact O-CE1 3.4Å; H62-H66 VanDerWaalsContact O-CE1 3.31Å; H62-H66 PolarHBondContact O-N 2.86Å; H62-H66 VanDerWaalsContact O-N 3.11Å; H62-H66 PolarHBondContact O-ND1 2.97Å
63P87.4Confident86.8Confident49 Ų4937.9 Ų37.932%0.31822%0.215SC..Hα-helixtrans-56.1-33.9175.8-27.735.2000115.1G59 I60 P67G59-P63 VanDerWaalsContact O-CD 3.29Å; G59-P63 WeakPolarHBondContact O-CD 3.48Å; G59-P63 WeakPolarHBondContact O-CG 3.45Å; I60-P63 WeakPolarHBondContact O-CD 3.33Å; P63-P67 VanDerWaalsContact O-CA 3.29Å; P63-P67 WeakPolarHBondContact O-CA 3.29Å; P63-P67 WeakPolarHBondContact O-CB 3.43Å; P63-P67 WeakPolarHBondContact O-CD 3.25Å
64C91Very high86Confident12 Ų1246.1 Ų46.18%0.08125%0.251CS..Hα-helixtrans-78-22.5-179.5-67.70000114.2I60 I61 H62 P73 A82 I83I60-C64 WeakPolarHBondContact O-CB 3.41Å; I60-C64 PolarHBondContact O-N 3.32Å; I60-C64 VanDerWaalsContact O-N 3.16Å; I60-C64 PolarHBondContact O-SG 2.89Å; I60-C64 VanDerWaalsContact O-SG 3.33Å; I61-C64 PolarHBondContact O-N 2.8Å; H62-C64 VanDerWaalsContact C-N 3.27Å; H62-C64 PolarHBondContact O-N 2.99Å; C64-P73 VanDerWaalsContact O-CG 3.3Å; C64-P73 WeakPolarHBondContact O-CG 3.45Å; C64-A82 HydrophobicContact CB-CB 4.11Å; C64-I83 HydrophobicContact CB-CG1 3.61Å
65T88.7Confident85.5Confident1 Ų148.9 Ų48.91%0.00627%0.268CS..Hα-helixtrans-96.2-29.5-179.752.90000113.3I61 H62 M79 F156 F167I61-T65 HydrophobicContact CG2-CG2 4.12Å; I61-T65 WeakPolarHBondContact O-CB 3.15Å; I61-T65 VanDerWaalsContact O-CG2 3.3Å; I61-T65 WeakPolarHBondContact O-CG2 3.38Å; I61-T65 PolarHBondContact O-N 3.4Å; I61-T65 PolarHBondContact O-OG1 3.42Å; H62-T65 PolarHBondContact O-N 3.38Å; H62-T65 PolarHBondContact O-OG1 2.83Å; T65-M79 HydrophobicContact CG2-CB 4.07Å; T65-M79 HydrophobicContact CG2-CG 4.03Å; T65-M79 HydrophobicContact CG2-SD 3.89Å; T65-F156 HydrophobicContact CG2-CE1 4.01Å; T65-F156 HydrophobicContact CG2-CZ 3.91Å; T65-F167 HydrophobicContact CG2-CZ 4.16Å
66H80.8Confident85.1Confident75 Ų7551.7 Ų51.735%0.34728%0.281SS..SBendtrans-140.666.4177.444.5-77.3000111.1H62H62-H66 AromaticContact CG-CE1 3.76Å; H62-H66 AromaticContact CG-NE2 3.83Å; H62-H66 AromaticContact ND1-CE1 3.09Å; H62-H66 PolarHBondContact ND1-CE1 3.43Å; H62-H66 AromaticContact ND1-NE2 3.08Å; H62-H66 PolarHBondContact ND1-NE2 3.35Å; H62-H66 PolarHBondContact O-CE1 3.4Å; H62-H66 VanDerWaalsContact O-CE1 3.31Å; H62-H66 PolarHBondContact O-N 2.86Å; H62-H66 VanDerWaalsContact O-N 3.11Å; H62-H66 PolarHBondContact O-ND1 2.97Å
67P79Confident84.8Confident36 Ų3652.8 Ų52.823%0.23429%0.29CS..  trans-61136179.223.6-33.9000112.3P63 K70P63-P67 VanDerWaalsContact O-CA 3.29Å; P63-P67 WeakPolarHBondContact O-CA 3.29Å; P63-P67 WeakPolarHBondContact O-CB 3.43Å; P63-P67 WeakPolarHBondContact O-CD 3.25Å; P67-K70 HydrophobicContact CB-CB 4.24Å; P67-K70 HydrophobicContact CG-CB 4.26Å
68E69.5Low84.5Confident127 Ų12756 Ų5659%0.59331%0.305SS*.SBendtrans-75.4-26175.6-58.6-148.7129.800113.4K262E68-K262 IonicContact OE1-NZ 3.72Å; E68-K262 PolarHBondContact OE1-NZ 3.41Å; E68-K262 VanDerWaalsContact OE2-CE 3.31Å; E68-K262 WeakPolarHBondContact OE2-CE 3.39Å; E68-K262 IonicContact OE2-NZ 2.98Å; E68-K262 PolarHBondContact OE2-NZ 3.26Å
69N68.3Low84.5Confident72 Ų7255.7 Ų55.739%0.38530%0.303SS..SBendtrans-107.4-3-168.2-60-43000114.1
70K70.9Confident84.9Confident124 Ų12454.7 Ų54.754%0.53929%0.291SS..SBendtrans-141.1160.6-177.5-66.1-175.4-177.91790108.7P67P67-K70 HydrophobicContact CB-CB 4.24Å; P67-K70 HydrophobicContact CG-CB 4.26Å
71P74.7Confident84.8Confident106 Ų10656 Ų5669%0.68830%0.301SS*.PPolyproline II helixtrans-58.6144.7170.5-21.234.2000110.7L293P71-L293 HydrophobicContact CG-CD1 4.41Å
72A80.8Confident84.7Confident59 Ų5957.3 Ų57.349%0.48831%0.312SS..PPolyproline II helixtrans-67.4144.2174.700000110.9
73P84.6Confident84.9Confident23 Ų2354.7 Ų54.715%0.14930%0.301CS..PPolyproline II helixtrans-59.5143.8173.3-22.333.6000112C64 E78 M79C64-P73 VanDerWaalsContact O-CG 3.3Å; C64-P73 WeakPolarHBondContact O-CG 3.45Å; P73-E78 HydrophobicContact CB-CB 3.73Å; P73-M79 HydrophobicContact CB-CE 4.34Å; P73-M79 HydrophobicContact CB-CG 3.64Å; P73-M79 HydrophobicContact CG-CG 3.92Å; P73-M79 WeakPolarHBondContact O-CE 3.39Å
74K81.6Confident85.3Confident174 Ų17452.9 Ų52.976%0.75729%0.288SS*.SBendtrans-84.3-22.2-177.9-62.2-172.3177.7-170.40113.6E78K74-E78 PolarHBondContact N-OE2 3.29Å
75T88.4Confident85.3Confident60 Ų6058.9 Ų58.937%0.36831%0.314SS..SBendtrans-136.4154.3-175.570.60000111.5S77 E78 M79T75-S77 PolarHBondContact O-N 3.11Å; T75-S77 VanDerWaalsContact O-N 3.17Å; T75-S77 PolarHBondContact OG1-N 3.29Å; T75-E78 PolarHBondContact O-N 2.91Å; T75-E78 VanDerWaalsContact O-N 3.12Å; T75-E78 PolarHBondContact OG1-N 3.33Å; T75-M79 WeakPolarHBondContact O-CG 3.42Å; T75-M79 PolarHBondContact O-N 3Å
76E90.2Very high85.6Confident58 Ų5860.4 Ų60.427%0.27132%0.32SS..Hα-helixtrans-55.6-31.4171.4-66.3-171.7172.400112.1M79 F80 F167 R170E76-M79 WeakPolarHBondContact O-CB 3.24Å; E76-M79 PolarHBondContact O-N 3.22Å; E76-F80 HydrophobicContact CB-CE2 4.06Å; E76-F80 HydrophobicContact CB-CZ 4.1Å; E76-F80 WeakPolarHBondContact O-CB 3.47Å; E76-F80 VanDerWaalsContact O-CD2 3.3Å; E76-F80 WeakPolarHBondContact O-CD2 3.46Å; E76-F80 WeakPolarHBondContact O-CG 3.47Å; E76-F80 PolarHBondContact O-N 3.24Å; E76-F167 HydrophobicContact CG-CD2 4.15Å; E76-F167 HydrophobicContact CG-CE2 4.35Å; E76-R170 IonicContact OE1-CZ 2.68Å; E76-R170 IonicContact OE1-NE 3.46Å; E76-R170 IonicContact OE1-NH2 2.76Å; E76-R170 PolarHBondContact OE1-NH2 3.29Å; E76-R170 IonicContact OE2-CZ 2.75Å; E76-R170 IonicContact OE2-NE 2.64Å; E76-R170 PolarHBondContact OE2-NE 3.36Å; E76-R170 IonicContact OE2-NH2 2.69Å; E76-R170 PolarHBondContact OE2-NH2 3.31Å
77S90.4Very high86.3Confident35 Ų3556.9 Ų56.925%0.24530%0.304CS..Hα-helixtrans-66.2-40.9177.9-62.90000112.9T75 A81 V822T75-S77 PolarHBondContact O-N 3.11Å; T75-S77 VanDerWaalsContact O-N 3.17Å; T75-S77 PolarHBondContact OG1-N 3.29Å; S77-A81 WeakPolarHBondContact O-CB 3.39Å; S77-A81 PolarHBondContact O-N 3.07Å; S77-V822 WeakPolarHBondContact O-CG1 3.34Å
78E90.5Very high87.1Confident69 Ų6957.2 Ų57.232%0.32230%0.304SS..Hα-helixtrans-67-39.3172.2-69.7171.5-170.400111.2P73 K74 T75 A81 A82P73-E78 HydrophobicContact CB-CB 3.73Å; K74-E78 PolarHBondContact N-OE2 3.29Å; T75-E78 PolarHBondContact O-N 2.91Å; T75-E78 VanDerWaalsContact O-N 3.12Å; T75-E78 PolarHBondContact OG1-N 3.33Å; E78-A81 PolarHBondContact O-N 2.8Å; E78-A82 WeakPolarHBondContact O-CB 3.41Å; E78-A82 PolarHBondContact O-N 3.13Å
79M92.6Very high88.2Confident7 Ų753.3 Ų53.33%0.03428%0.284CS..Hα-helixtrans-61.1-45.9175.4-62.5169.3-174.100111.7T65 P73 T75 E76 A82 I83 F156 F167T65-M79 HydrophobicContact CG2-CB 4.07Å; T65-M79 HydrophobicContact CG2-CG 4.03Å; T65-M79 HydrophobicContact CG2-SD 3.89Å; P73-M79 HydrophobicContact CB-CE 4.34Å; P73-M79 HydrophobicContact CB-CG 3.64Å; P73-M79 HydrophobicContact CG-CG 3.92Å; P73-M79 WeakPolarHBondContact O-CE 3.39Å; T75-M79 WeakPolarHBondContact O-CG 3.42Å; T75-M79 PolarHBondContact O-N 3Å; E76-M79 WeakPolarHBondContact O-CB 3.24Å; E76-M79 PolarHBondContact O-N 3.22Å; M79-A82 PolarHBondContact O-N 3.29Å; M79-I83 VanDerWaalsContact O-CG1 3.3Å; M79-I83 WeakPolarHBondContact O-CG1 3.22Å; M79-I83 PolarHBondContact O-N 2.84Å; M79-F156 HydrophobicContact CE-CB 4.36Å; M79-F156 HydrophobicContact CE-CD2 3.5Å; M79-F156 HydrophobicContact CE-CE2 3.83Å; M79-F156 HydrophobicContact CE-CG 3.91Å; M79-F156 HydrophobicContact CE-CZ 4.5Å; M79-F156 HydrophobicContact SD-CD2 3.95Å; M79-F156 HydrophobicContact SD-CE2 3.6Å; M79-F156 VanDerWaalsContact SD-CE2 3.6Å; M79-F156 HydrophobicContact SD-CZ 4.04Å; M79-F167 HydrophobicContact SD-CE2 4.37Å
80F94.8Very high89.5Confident7 Ų749.9 Ų49.93%0.03127%0.265CS..Hα-helixtrans-66.1-38.6177.7-60.8-23.8000111.7E76 I83 F84 F167 R170 L171 A174 V822E76-F80 HydrophobicContact CB-CE2 4.06Å; E76-F80 HydrophobicContact CB-CZ 4.1Å; E76-F80 WeakPolarHBondContact O-CB 3.47Å; E76-F80 VanDerWaalsContact O-CD2 3.3Å; E76-F80 WeakPolarHBondContact O-CD2 3.46Å; E76-F80 WeakPolarHBondContact O-CG 3.47Å; E76-F80 PolarHBondContact O-N 3.24Å; F80-I83 HydrophobicContact CD1-CD1 4.4Å; F80-I83 PolarHBondContact O-N 2.94Å; F80-F84 HydrophobicContact CB-CE2 4.46Å; F80-F84 HydrophobicContact CB-CZ 4.31Å; F80-F84 WeakPolarHBondContact O-CD1 3.1Å; F80-F84 WeakPolarHBondContact O-CD2 3.34Å; F80-F84 WeakPolarHBondContact O-CG 3.45Å; F80-F84 PolarHBondContact O-N 3.21Å; F80-F167 HydrophobicContact CE1-CD2 4.37Å; F80-F167 AromaticContact CE1-CE2 3.74Å; F80-F167 HydrophobicContact CE1-CE2 3.74Å; F80-F167 HydrophobicContact CE1-CZ 4.01Å; F80-F167 HydrophobicContact CZ-CD2 4.44Å; F80-F167 HydrophobicContact CZ-CE2 4.21Å; F80-R170 HydrophobicContact CE2-CB 4.27Å; F80-R170 HydrophobicContact CZ-CB 4.11Å; F80-L171 HydrophobicContact CD1-CD1 3.64Å; F80-L171 HydrophobicContact CE1-CB 3.78Å; F80-L171 HydrophobicContact CE1-CD1 3.75Å; F80-L171 HydrophobicContact CE1-CG 4.31Å; F80-L171 HydrophobicContact CZ-CB 4.2Å; F80-A174 HydrophobicContact CD2-CB 3.96Å; F80-A174 HydrophobicContact CE2-CB 4.37Å; F80-A174 HydrophobicContact CG-CB 4.19Å; F80-V822 HydrophobicContact CB-CG1 4.47Å; F80-V822 HydrophobicContact CB-CG2 3.9Å; F80-V822 HydrophobicContact CD2-CG2 3.97Å; F80-V822 HydrophobicContact CG-CG2 4.43Å
81A92.2Very high90.7Very high27 Ų2744.1 Ų44.122%0.22324%0.24CC..Hα-helixtrans-61.6-44.7173.200000112.2S77 E78 I83 F84 E85 H825S77-A81 WeakPolarHBondContact O-CB 3.39Å; S77-A81 PolarHBondContact O-N 3.07Å; E78-A81 PolarHBondContact O-N 2.8Å; A81-I83 PolarHBondContact O-N 2.89Å; A81-F84 PolarHBondContact O-N 3.34Å; A81-E85 PolarHBondContact O-N 3.09Å; A81-H825 HydrophobicContact CB-CB 4.1Å
82A91.9Very high91.6Very high28 Ų2840.1 Ų40.123%0.23122%0.215CC..Hα-helixtrans-63.5-38.7175.800000112.6C64 E78 M79 E85 Y86C64-A82 HydrophobicContact CB-CB 4.11Å; E78-A82 WeakPolarHBondContact O-CB 3.41Å; E78-A82 PolarHBondContact O-N 3.13Å; M79-A82 PolarHBondContact O-N 3.29Å; A82-E85 PolarHBondContact O-N 2.73Å; A82-Y86 WeakPolarHBondContact O-CB 3.39Å; A82-Y86 PolarHBondContact O-N 3.38Å
83I95.4Very high92.3Very high0 Ų037.3 Ų37.30%019%0.192CC..Hα-helixtrans-61.1-44172.5-70.4164.2000110.7M57 I60 I61 C64 M79 F80 A81 Y86 I87 L171 L175M57-I83 HydrophobicContact CE-CG2 3.93Å; I60-I83 HydrophobicContact CG2-CG2 4.41Å; I61-I83 HydrophobicContact CB-CD1 4.43Å; I61-I83 HydrophobicContact CG1-CD1 4.01Å; I61-I83 HydrophobicContact CG2-CD1 4.35Å; C64-I83 HydrophobicContact CB-CG1 3.61Å; M79-I83 VanDerWaalsContact O-CG1 3.3Å; M79-I83 WeakPolarHBondContact O-CG1 3.22Å; M79-I83 PolarHBondContact O-N 2.84Å; F80-I83 HydrophobicContact CD1-CD1 4.4Å; F80-I83 PolarHBondContact O-N 2.94Å; A81-I83 PolarHBondContact O-N 2.89Å; I83-Y86 PolarHBondContact O-N 3.48Å; I83-I87 HydrophobicContact CG2-CD1 3.85Å; I83-I87 HydrophobicContact CG2-CG1 4.5Å; I83-I87 WeakPolarHBondContact O-CD1 3.49Å; I83-I87 VanDerWaalsContact O-CG1 3.25Å; I83-I87 WeakPolarHBondContact O-CG1 3.38Å; I83-I87 PolarHBondContact O-N 3.39Å; I83-L171 HydrophobicContact CD1-CD1 3.92Å; I83-L175 HydrophobicContact CG2-CD2 4.32Å
84F95.3Very high92.9Very high11 Ų1136.2 Ų36.25%0.04819%0.185CC..Hα-helixtrans-63.6-44.7178-59.3-21.6000112.5F80 A81 Y86 I87 D88 A174 L175 Y178 V822 V826F80-F84 HydrophobicContact CB-CE2 4.46Å; F80-F84 HydrophobicContact CB-CZ 4.31Å; F80-F84 WeakPolarHBondContact O-CD1 3.1Å; F80-F84 WeakPolarHBondContact O-CD2 3.34Å; F80-F84 WeakPolarHBondContact O-CG 3.45Å; F80-F84 PolarHBondContact O-N 3.21Å; A81-F84 PolarHBondContact O-N 3.34Å; F84-Y86 VanDerWaalsContact C-N 3.31Å; F84-Y86 PolarHBondContact O-N 3.16Å; F84-I87 HydrophobicContact CD1-CD1 4.45Å; F84-I87 PolarHBondContact O-N 3.32Å; F84-D88 PolarHBondContact O-N 3.11Å; F84-A174 HydrophobicContact CZ-CB 3.9Å; F84-A174 WeakPolarHBondContact CZ-O 3.3Å; F84-L175 HydrophobicContact CD1-CD2 4.35Å; F84-L175 HydrophobicContact CE1-CD2 3.98Å; F84-L175 HydrophobicContact CE1-CG 4.49Å; F84-Y178 HydrophobicContact CB-CD2 3.68Å; F84-Y178 HydrophobicContact CB-CE2 3.74Å; F84-Y178 HydrophobicContact CD1-CD1 4.27Å; F84-Y178 AromaticContact CD1-CD2 3.61Å; F84-Y178 HydrophobicContact CD1-CD2 3.61Å; F84-Y178 HydrophobicContact CD1-CE2 4.25Å; F84-Y178 AromaticContact CD1-CG 3.63Å; F84-Y178 HydrophobicContact CD1-CG 3.63Å; F84-Y178 HydrophobicContact CD2-CD2 4.09Å; F84-Y178 HydrophobicContact CE1-CD2 4.27Å; F84-Y178 AromaticContact CE1-CG 3.91Å; F84-Y178 HydrophobicContact CE1-CG 3.91Å; F84-Y178 AromaticContact CG-CD2 3.51Å; F84-Y178 HydrophobicContact CG-CD2 3.51Å; F84-Y178 HydrophobicContact CG-CE2 4.09Å; F84-Y178 HydrophobicContact CG-CG 4.02Å; F84-Y178 HydrophobicContact CZ-CG 4.49Å; F84-V822 HydrophobicContact CE2-CG2 3.89Å; F84-V822 HydrophobicContact CZ-CG2 4.17Å; F84-V826 HydrophobicContact CD2-CG2 3.97Å; F84-V826 HydrophobicContact CE2-CG2 3.91Å
85E91.7Very high93.7Very high137 Ų13728 Ų2864%0.6415%0.149SC*.Hα-helixtrans-60-40.6175.1-171.1-171.8159.500111.7A81 A82 D88 R89A81-E85 PolarHBondContact O-N 3.09Å; A82-E85 PolarHBondContact O-N 2.73Å; E85-D88 PolarHBondContact O-N 3.13Å; E85-R89 WeakPolarHBondContact O-CB 3.13Å; E85-R89 PolarHBondContact O-N 3.02Å
86Y93.7Very high94.1Very high34 Ų3425.2 Ų25.213%0.13313%0.131CC..Hα-helixtrans-65.8-42.4177.8-159-77.7000112.2I60 A82 I83 F84 R89 L90 E254 F300I60-Y86 HydrophobicContact CB-CD1 4.27Å; I60-Y86 HydrophobicContact CD1-CD1 4.2Å; I60-Y86 HydrophobicContact CG1-CD1 3.88Å; I60-Y86 HydrophobicContact CG1-CE1 3.93Å; I60-Y86 HydrophobicContact CG2-CD1 3.6Å; I60-Y86 HydrophobicContact CG2-CE1 4.32Å; I60-Y86 HydrophobicContact CG2-CG 3.86Å; A82-Y86 WeakPolarHBondContact O-CB 3.39Å; A82-Y86 PolarHBondContact O-N 3.38Å; I83-Y86 PolarHBondContact O-N 3.48Å; F84-Y86 VanDerWaalsContact C-N 3.31Å; F84-Y86 PolarHBondContact O-N 3.16Å; Y86-R89 PolarHBondContact O-N 3.13Å; Y86-L90 HydrophobicContact CD1-CD1 3.79Å; Y86-L90 HydrophobicContact CD1-CG 4.03Å; Y86-L90 HydrophobicContact CE1-CD1 3.73Å; Y86-L90 HydrophobicContact CE1-CD2 4.3Å; Y86-L90 HydrophobicContact CE1-CG 3.93Å; Y86-L90 WeakPolarHBondContact O-CG 3.35Å; Y86-L90 PolarHBondContact O-N 3.45Å; Y86-E254 VanDerWaalsContact CE2-OE1 3.31Å; Y86-E254 WeakPolarHBondContact CE2-OE1 2.97Å; Y86-E254 VanDerWaalsContact OH-CD 3.3Å; Y86-E254 WeakPolarHBondContact OH-CG 3.49Å; Y86-E254 PolarHBondContact OH-OE1 3Å; Y86-F300 HydrophobicContact CE1-CZ 4.21Å; Y86-F300 AromaticContact CZ-CZ 3.86Å
87I96.4Very high94.5Very high1 Ų125.5 Ų25.51%0.00513%0.13CC..Hα-helixtrans-62.6-45.3174.5-60.2153.8000110.2L55 M57 I83 F84 R89 L90 F91 M102 L175 Y178L55-I87 HydrophobicContact CD1-CG1 4.34Å; L55-I87 HydrophobicContact CD1-CG2 3.87Å; M57-I87 HydrophobicContact CE-CD1 4.01Å; M57-I87 HydrophobicContact CE-CG1 4.3Å; I83-I87 HydrophobicContact CG2-CD1 3.85Å; I83-I87 HydrophobicContact CG2-CG1 4.5Å; I83-I87 WeakPolarHBondContact O-CD1 3.49Å; I83-I87 VanDerWaalsContact O-CG1 3.25Å; I83-I87 WeakPolarHBondContact O-CG1 3.38Å; I83-I87 PolarHBondContact O-N 3.39Å; F84-I87 HydrophobicContact CD1-CD1 4.45Å; F84-I87 PolarHBondContact O-N 3.32Å; I87-R89 VanDerWaalsContact C-N 3.31Å; I87-R89 PolarHBondContact O-N 3.45Å; I87-L90 PolarHBondContact O-N 2.75Å; I87-F91 VanDerWaalsContact O-CB 3.27Å; I87-F91 WeakPolarHBondContact O-CB 3.31Å; I87-F91 PolarHBondContact O-N 3.46Å; I87-M102 HydrophobicContact CD1-CE 3.54Å; I87-M102 HydrophobicContact CG1-CE 4.17Å; I87-M102 HydrophobicContact CG2-CE 4.33Å; I87-L175 HydrophobicContact CD1-CD2 3.83Å; I87-Y178 HydrophobicContact CB-CE1 4.33Å; I87-Y178 WeakPolarHBondContact CB-OH 3.49Å; I87-Y178 HydrophobicContact CD1-CD1 4.44Å; I87-Y178 HydrophobicContact CD1-CE1 3.93Å; I87-Y178 HydrophobicContact CG2-CE1 3.94Å; I87-Y178 WeakPolarHBondContact CG2-OH 3.35Å
88D94.6Very high94.8Very high43 Ų4326.1 Ų26.123%0.2313%0.127CC..Hα-helixtrans-59-42.5176.7-74.7-32.1000111.6F84 E85 F91 S92 Y178 R182F84-D88 PolarHBondContact O-N 3.11Å; E85-D88 PolarHBondContact O-N 3.13Å; D88-F91 PolarHBondContact O-N 3Å; D88-S92 WeakPolarHBondContact O-CB 3.29Å; D88-S92 PolarHBondContact O-N 2.99Å; D88-Y178 PolarHBondContact OD1-OH 2.97Å; D88-R182 IonicContact OD1-CZ 3.57Å; D88-R182 IonicContact OD1-NE 3.87Å; D88-R182 PolarHBondContact OD1-NE 3.22Å; D88-R182 IonicContact OD1-NH2 3.3Å; D88-R182 IonicContact OD2-CZ 3.13Å; D88-R182 IonicContact OD2-NE 3.91Å; D88-R182 PolarHBondContact OD2-NE 3.31Å; D88-R182 IonicContact OD2-NH2 2.9Å; D88-R182 PolarHBondContact OD2-NH2 3.31Å
89R93.2Very high95.2Very high44 Ų4422.9 Ų22.917%0.16611%0.112CC..Hα-helixtrans-62-49.6177.5-170.8173.6179.5-133.1-12.3111.3E23 E85 Y86 I87 F91 S92 I93 V298 F300E23-R89 IonicContact OE1-CZ 3.89Å; E23-R89 IonicContact OE1-NE 2.8Å; E23-R89 PolarHBondContact OE1-NE 3.47Å; E23-R89 VanDerWaalsContact OE1-NE 3.17Å; E23-R89 IonicContact OE1-NH2 2.71Å; E23-R89 IonicContact OE2-CZ 3.78Å; E23-R89 IonicContact OE2-NE 2.66Å; E23-R89 PolarHBondContact OE2-NE 3.42Å; E23-R89 IonicContact OE2-NH2 3.38Å; E23-R89 PolarHBondContact OE2-NH2 3.36Å; E85-R89 WeakPolarHBondContact O-CB 3.13Å; E85-R89 PolarHBondContact O-N 3.02Å; Y86-R89 PolarHBondContact O-N 3.13Å; I87-R89 VanDerWaalsContact C-N 3.31Å; I87-R89 PolarHBondContact O-N 3.45Å; R89-F91 PolarHBondContact O-N 2.98Å; R89-S92 PolarHBondContact O-N 3.07Å; R89-S92 PolarHBondContact O-OG 3.38Å; R89-I93 HydrophobicContact CG-CD1 4.38Å; R89-I93 WeakPolarHBondContact O-CG1 3.45Å; R89-I93 PolarHBondContact O-N 2.89Å; R89-V298 PolarHBondContact NH1-O 3.47Å; R89-V298 VanDerWaalsContact NH1-O 3.14Å; R89-V298 PolarHBondContact NH2-O 3.05Å; R89-F300 HydrophobicContact CG-CE2 4.37Å
90L95.1Very high95.5Very high0 Ų022.6 Ų22.60%011%0.11CC..Hα-helixtrans-58.7-45.3174.5-72.3174.9000112.1L55 I60 Y86 I87 S92 I93 V94 C231 I252 F300L55-L90 HydrophobicContact CD2-CD1 3.77Å; I60-L90 HydrophobicContact CD1-CD1 3.68Å; I60-L90 HydrophobicContact CG1-CD1 4.34Å; Y86-L90 HydrophobicContact CD1-CD1 3.79Å; Y86-L90 HydrophobicContact CD1-CG 4.03Å; Y86-L90 HydrophobicContact CE1-CD1 3.73Å; Y86-L90 HydrophobicContact CE1-CD2 4.3Å; Y86-L90 HydrophobicContact CE1-CG 3.93Å; Y86-L90 WeakPolarHBondContact O-CG 3.35Å; Y86-L90 PolarHBondContact O-N 3.45Å; I87-L90 PolarHBondContact O-N 2.75Å; L90-S92 VanDerWaalsContact C-N 3.3Å; L90-S92 PolarHBondContact O-N 2.67Å; L90-I93 PolarHBondContact O-N 2.99Å; L90-V94 PolarHBondContact O-N 3.1Å; L90-C231 HydrophobicContact CD1-CB 4.26Å; L90-C231 WeakPolarHBondContact CD1-SG 3.45Å; L90-I252 HydrophobicContact CD2-CD1 4.17Å; L90-F300 HydrophobicContact CD2-CD1 4.19Å; L90-F300 HydrophobicContact CD2-CE1 3.56Å; L90-F300 HydrophobicContact CD2-CE2 4.48Å; L90-F300 HydrophobicContact CD2-CZ 3.73Å; L90-F300 HydrophobicContact CG-CZ 4.49Å
91F96.3Very high95.6Very high4 Ų422.4 Ų22.42%0.01811%0.11CC..Hα-helixtrans-59.7-40.9178.1-172.5-86.5000111.5T40 I87 D88 R89 I93 R95 P96 L100 W189 L192T40-F91 HydrophobicContact CG2-CD1 4.13Å; T40-F91 HydrophobicContact CG2-CE1 4.27Å; I87-F91 VanDerWaalsContact O-CB 3.27Å; I87-F91 WeakPolarHBondContact O-CB 3.31Å; I87-F91 PolarHBondContact O-N 3.46Å; D88-F91 PolarHBondContact O-N 3Å; R89-F91 PolarHBondContact O-N 2.98Å; F91-I93 VanDerWaalsContact C-N 3.29Å; F91-I93 PolarHBondContact O-N 3.4Å; F91-R95 WeakPolarHBondContact O-CA 3.4Å; F91-R95 PolarHBondContact O-N 3.47Å; F91-P96 HydrophobicContact CD2-CG 3.88Å; F91-P96 HydrophobicContact CE2-CG 3.54Å; F91-P96 HydrophobicContact CZ-CG 4.33Å; F91-L100 HydrophobicContact CD2-CD2 4.36Å; F91-W189 AromaticContact CD1-NE1 3.56Å; F91-W189 AromaticContact CD2-CE2 3.91Å; F91-W189 HydrophobicContact CD2-CZ2 4.1Å; F91-W189 AromaticContact CD2-NE1 3.67Å; F91-W189 AromaticContact CE1-CD1 3.44Å; F91-W189 VanDerWaalsContact CE1-CD1 3.44Å; F91-W189 HydrophobicContact CE1-CG 4.47Å; F91-W189 AromaticContact CE1-NE1 3.41Å; F91-W189 AromaticContact CE2-CD1 3.83Å; F91-W189 HydrophobicContact CE2-CD2 4.24Å; F91-W189 AromaticContact CE2-CE2 3.8Å; F91-W189 HydrophobicContact CE2-CG 4.27Å; F91-W189 HydrophobicContact CE2-CZ2 4.36Å; F91-W189 AromaticContact CE2-NE1 3.51Å; F91-W189 AromaticContact CG-NE1 3.7Å; F91-W189 AromaticContact CZ-CD1 3.31Å; F91-W189 HydrophobicContact CZ-CD2 4.41Å; F91-W189 AromaticContact CZ-CG 3.96Å; F91-W189 HydrophobicContact CZ-CG 3.96Å; F91-W189 AromaticContact CZ-NE1 3.39Å; F91-L192 HydrophobicContact CE2-CD1 3.48Å; F91-L192 VanDerWaalsContact CE2-CD1 3.48Å; F91-L192 HydrophobicContact CZ-CD1 3.69Å
92S94.5Very high96Very high21 Ų2121.1 Ų21.115%0.14710%0.099CC..Hα-helixtrans-65.7-29.2179.280.40000114.1D88 R89 L90 R95D88-S92 WeakPolarHBondContact O-CB 3.29Å; D88-S92 PolarHBondContact O-N 2.99Å; R89-S92 PolarHBondContact O-N 3.07Å; R89-S92 PolarHBondContact O-OG 3.38Å; L90-S92 VanDerWaalsContact C-N 3.3Å; L90-S92 PolarHBondContact O-N 2.67Å; S92-R95 WeakPolarHBondContact O-CG 3.46Å; S92-R95 PolarHBondContact O-NE 3.37Å
93I95.5Very high96.3Very high1 Ų119.8 Ų19.81%0.0059%0.088CC..Hα-helixtrans-81.2-48.8178.5-65.2164.8000110.8C21 E23 N44 N46 R89 L90 F91 I252 F300 F302C21-I93 HydrophobicContact CB-CG2 3.87Å; E23-I93 HydrophobicContact CB-CG1 4.36Å; E23-I93 HydrophobicContact CG-CD1 4.28Å; E23-I93 HydrophobicContact CG-CG1 3.99Å; N44-I93 PolarHBondContact ND2-O 2.82Å; N44-I93 PolarHBondContact OD1-O 3.49Å; N46-I93 PolarHBondContact ND2-O 3.41Å; R89-I93 HydrophobicContact CG-CD1 4.38Å; R89-I93 WeakPolarHBondContact O-CG1 3.45Å; R89-I93 PolarHBondContact O-N 2.89Å; L90-I93 PolarHBondContact O-N 2.99Å; F91-I93 VanDerWaalsContact C-N 3.29Å; F91-I93 PolarHBondContact O-N 3.4Å; I93-I252 HydrophobicContact CG2-CD1 3.87Å; I93-F300 HydrophobicContact CD1-CB 4.42Å; I93-F300 HydrophobicContact CD1-CD2 3.42Å; I93-F300 VanDerWaalsContact CD1-CD2 3.42Å; I93-F300 HydrophobicContact CD1-CE2 3.88Å; I93-F300 HydrophobicContact CD1-CG 4.08Å; I93-F302 HydrophobicContact CG2-CZ 4.28Å
94V97.3Very high96.4Very high0 Ų019.9 Ų19.90%09%0.088CC..Hα-helixtrans-86.4-37.1-172.5179.80000112.5N44 F50 L53 L90 C229 I252 F302N44-V94 VanDerWaalsContact ND2-C 3.31Å; N44-V94 PolarHBondContact ND2-O 3Å; F50-V94 HydrophobicContact CB-CG1 3.88Å; F50-V94 HydrophobicContact CD2-CG1 3.75Å; F50-V94 WeakPolarHBondContact CD2-O 3.48Å; F50-V94 HydrophobicContact CE2-CG1 4.47Å; F50-V94 HydrophobicContact CG-CG1 3.87Å; L53-V94 HydrophobicContact CB-CG1 4.2Å; L53-V94 HydrophobicContact CD1-CB 4.42Å; L53-V94 HydrophobicContact CD1-CG1 4.15Å; L53-V94 HydrophobicContact CD1-CG2 4.23Å; L53-V94 HydrophobicContact CD2-CB 4.1Å; L53-V94 HydrophobicContact CD2-CG1 4.29Å; L53-V94 HydrophobicContact CD2-CG2 4.48Å; L53-V94 HydrophobicContact CG-CG1 4.45Å; L90-V94 PolarHBondContact O-N 3.1Å; V94-C229 HydrophobicContact CG1-CB 3.66Å; V94-I252 HydrophobicContact CG2-CD1 3.81Å; V94-I252 HydrophobicContact CG2-CG2 4.38Å; V94-F302 HydrophobicContact CG2-CE1 4.34Å
95R97.3Very high96.5Very high1 Ų120.5 Ų20.50%0.0049%0.093CC..  trans48.861.5179.9-54178.2-179.4-143.2-15.3112.9D39 E42 P43 F91 S92 R97D39-R95 PolarHBondContact O-NH1 2.9Å; D39-R95 VanDerWaalsContact O-NH1 3.12Å; D39-R95 PolarHBondContact O-NH2 3.18Å; D39-R95 VanDerWaalsContact O-NH2 3.09Å; E42-R95 PolarHBondContact O-NH1 2.69Å; P43-R95 PolarHBondContact O-NH1 3.39Å; F91-R95 WeakPolarHBondContact O-CA 3.4Å; F91-R95 PolarHBondContact O-N 3.47Å; S92-R95 WeakPolarHBondContact O-CG 3.46Å; S92-R95 PolarHBondContact O-NE 3.37Å; R95-R97 WeakPolarHBondContact O-CD 3.46Å; R95-R97 PolarHBondContact O-NE 2.89Å
96P97.9Very high96.7Very high1 Ų114 Ų141%0.0066%0.062CC..EExtended strand (participates in β ladder)trans-55.6146.6176.827.2-36.4000110.9F50 L53 F91 V99 L192F50-P96 CarbonylContact O-C 3.48Å; F50-P96 WeakPolarHBondContact O-CA 3.38Å; L53-P96 HydrophobicContact CB-CB 3.73Å; L53-P96 HydrophobicContact CB-CG 3.78Å; L53-P96 HydrophobicContact CD2-CG 4.21Å; F91-P96 HydrophobicContact CD2-CG 3.88Å; F91-P96 HydrophobicContact CE2-CG 3.54Å; F91-P96 HydrophobicContact CZ-CG 4.33Å; P96-V99 WeakPolarHBondContact CB-O 3.3Å; P96-L192 HydrophobicContact CG-CD1 4.21Å; P96-L192 WeakPolarHBondContact O-CD2 3.47Å
97R97.3Very high96.9Very high64 Ų6412.6 Ų12.624%0.2426%0.057CC..EExtended strand (participates in β ladder)trans-111.4-12.1-175.1-56.3-52.5-176.6-173.62115.1T40 E42 E49 F50 D51 R95T40-R97 PolarHBondContact O-NH1 3.42Å; E42-R97 PolarHBondContact O-NH2 3.44Å; E49-R97 IonicContact OE1-NH2 2.68Å; E49-R97 IonicContact OE2-CZ 3.8Å; E49-R97 IonicContact OE2-NE 3.85Å; E49-R97 PolarHBondContact OE2-NE 2.76Å; E49-R97 IonicContact OE2-NH2 2.86Å; E49-R97 PolarHBondContact OE2-NH2 3.1Å; F50-R97 WeakPolarHBondContact O-CG 3.47Å; F50-R97 PolarHBondContact O-N 3.49Å; D51-R97 PolarHBondContact O-N 3.39Å; D51-R97 VanDerWaalsContact O-N 3.15Å; R95-R97 WeakPolarHBondContact O-CD 3.46Å; R95-R97 PolarHBondContact O-NE 2.89Å
98R97.6Very high97Very high49 Ų4912.6 Ų12.619%0.1856%0.057CC..EExtended strand (participates in β ladder)trans-128.6-54.9179.9-51.3-174.5-161.1-176.111.9112.2D51 M193 D223 F799D51-R98 HydrophobicContact CB-CG 4.01Å; D51-R98 VanDerWaalsContact CG-NE 3.29Å; D51-R98 PolarHBondContact O-N 3.03Å; D51-R98 IonicContact OD1-CZ 3.09Å; D51-R98 IonicContact OD1-NE 3.66Å; D51-R98 PolarHBondContact OD1-NE 2.89Å; D51-R98 IonicContact OD1-NH2 2.74Å; D51-R98 PolarHBondContact OD1-NH2 3.46Å; D51-R98 IonicContact OD2-NH2 3.09Å; R98-M193 PolarHBondContact O-N 3.05Å; R98-D223 IonicContact CZ-OD2 2.66Å; R98-D223 IonicContact NH1-OD2 3.51Å; R98-D223 PolarHBondContact NH1-OD2 3.24Å; R98-D223 IonicContact NH2-OD2 3.24Å; R98-D223 PolarHBondContact NH2-OD2 3.46Å; R98-F799 HydrophobicContact CB-CB 4.47Å; R98-F799 HydrophobicContact CB-CD2 3.91Å; R98-F799 HydrophobicContact CB-CE2 4.27Å; R98-F799 HydrophobicContact CB-CG 4.12Å; R98-F799 HydrophobicContact CG-CB 4.44Å; R98-F799 HydrophobicContact CG-CD1 4.23Å; R98-F799 HydrophobicContact CG-CD2 4.37Å; R98-F799 HydrophobicContact CG-CG 4.11Å
99V98.2Very high97.1Very high1 Ų110.5 Ų10.51%0.0065%0.046CC..EExtended strand (participates in β ladder)trans-128.6137.4-171-179.40000112.4D51 N52 L53 P96 M193 F195 I801D51-V99 PolarHBondContact O-N 2.79Å; D51-V99 VanDerWaalsContact O-N 3.12Å; N52-V99 WeakPolarHBondContact CA-O 3.39Å; N52-V99 HydrophobicContact CB-CB 4.11Å; N52-V99 WeakPolarHBondContact OD1-CB 3.47Å; N52-V99 WeakPolarHBondContact OD1-CG2 3.47Å; L53-V99 PolarHBondContact N-O 3.01Å; P96-V99 WeakPolarHBondContact CB-O 3.3Å; V99-M193 WeakPolarHBondContact CA-O 3.26Å; V99-F195 HydrophobicContact CG1-CD2 3.78Å; V99-F195 HydrophobicContact CG1-CE2 3.92Å; V99-F195 HydrophobicContact CG2-CE2 4.49Å; V99-I801 HydrophobicContact CG2-CD1 4.44Å; V99-I801 HydrophobicContact CG2-CG1 4.29Å
100L98.6Very high97.3Very high0 Ų08.6 Ų8.60%04%0.039CC..EExtended strand (participates in β ladder)trans-117.7115.9159.3174.563.3000108.4L53 L55 F91 M102 W189 M193 V194 F195L53-L100 HydrophobicContact CB-CD1 4.05Å; L53-L100 HydrophobicContact CD2-CD1 3.84Å; L53-L100 HydrophobicContact CG-CD1 3.8Å; L53-L100 CarbonylContact O-C 3.46Å; L53-L100 WeakPolarHBondContact O-CA 3.39Å; L55-L100 HydrophobicContact CD1-CD1 4.05Å; L55-L100 HydrophobicContact CG-CD1 4.1Å; F91-L100 HydrophobicContact CD2-CD2 4.36Å; L100-M102 HydrophobicContact CD1-CG 4.44Å; L100-M102 HydrophobicContact CD2-CG 4.46Å; L100-M102 HydrophobicContact CD2-SD 4.23Å; L100-M102 HydrophobicContact CG-CG 4.1Å; L100-M102 HydrophobicContact CG-SD 4.49Å; L100-W189 HydrophobicContact CD2-CE3 4.5Å; L100-W189 HydrophobicContact CD2-CH2 3.32Å; L100-W189 HydrophobicContact CD2-CZ2 3.76Å; L100-W189 HydrophobicContact CD2-CZ3 3.76Å; L100-M193 PolarHBondContact N-O 3.09Å; L100-V194 HydrophobicContact CB-CG1 4.35Å; L100-V194 HydrophobicContact CB-CG2 4.33Å; L100-V194 HydrophobicContact CD2-CG1 4.2Å; L100-V194 HydrophobicContact CG-CG1 4.32Å; L100-V194 CarbonylContact O-C 3.59Å; L100-V194 VanDerWaalsContact O-CA 3.28Å; L100-V194 WeakPolarHBondContact O-CA 3.33Å; L100-F195 PolarHBondContact O-N 2.9Å
101Y98.7Very high97.3Very high3 Ų38.9 Ų8.91%0.0124%0.041CC..EExtended strand (participates in β ladder)trans-111.8119.3178.8-168.1-76.8000109.6L53 Y54 L55 A103 F195 S197 I209 F212 D751L53-Y101 PolarHBondContact O-N 3.33Å; Y54-Y101 CarbonylContact C-O 3.54Å; Y54-Y101 WeakPolarHBondContact CA-O 3.43Å; Y54-Y101 HydrophobicContact CD1-CG 4.21Å; L55-Y101 PolarHBondContact N-O 3.21Å; Y101-A103 HydrophobicContact CD1-CB 4.13Å; Y101-A103 HydrophobicContact CE1-CB 3.84Å; Y101-F195 HydrophobicContact CD2-CB 3.36Å; Y101-F195 HydrophobicContact CD2-CD1 4.38Å; Y101-F195 HydrophobicContact CD2-CD2 4.23Å; Y101-F195 AromaticContact CD2-CG 3.77Å; Y101-F195 HydrophobicContact CD2-CG 3.77Å; Y101-F195 HydrophobicContact CE2-CB 3.74Å; Y101-F195 HydrophobicContact CE2-CD1 4.36Å; Y101-F195 HydrophobicContact CE2-CG 4.15Å; Y101-F195 HydrophobicContact CG-CB 4.02Å; Y101-S197 WeakPolarHBondContact OH-CB 3.22Å; Y101-I209 HydrophobicContact CD1-CG1 3.71Å; Y101-I209 HydrophobicContact CE1-CG1 3.94Å; Y101-F212 HydrophobicContact CD2-CD1 4.25Å; Y101-F212 HydrophobicContact CD2-CD2 4.01Å; Y101-F212 HydrophobicContact CD2-CE1 4.38Å; Y101-F212 HydrophobicContact CD2-CE2 4.15Å; Y101-F212 HydrophobicContact CD2-CG 4.05Å; Y101-F212 HydrophobicContact CD2-CZ 4.33Å; Y101-F212 HydrophobicContact CE2-CB 4.16Å; Y101-F212 AromaticContact CE2-CD2 3.65Å; Y101-F212 HydrophobicContact CE2-CD2 3.65Å; Y101-F212 HydrophobicContact CE2-CE2 4.13Å; Y101-F212 AromaticContact CE2-CG 3.87Å; Y101-F212 HydrophobicContact CE2-CG 3.87Å; Y101-D751 PolarHBondContact OH-OD2 2.72Å
102M98.7Very high97.3Very high0 Ų09.2 Ų9.20%04%0.042CC..EExtended strand (participates in β ladder)trans-110.6106.5-176.1-57.2178.468.600109L55 M57 I87 L100 L175 Y178 I179 V194 F195 L196 S197L55-M102 HydrophobicContact CD1-CG 4.33Å; M57-M102 HydrophobicContact CE-CE 4.18Å; M57-M102 HydrophobicContact CG-CB 4.27Å; M57-M102 HydrophobicContact SD-CB 4.19Å; M57-M102 HydrophobicContact SD-CE 3.69Å; I87-M102 HydrophobicContact CD1-CE 3.54Å; I87-M102 HydrophobicContact CG1-CE 4.17Å; I87-M102 HydrophobicContact CG2-CE 4.33Å; L100-M102 HydrophobicContact CD1-CG 4.44Å; L100-M102 HydrophobicContact CD2-CG 4.46Å; L100-M102 HydrophobicContact CD2-SD 4.23Å; L100-M102 HydrophobicContact CG-CG 4.1Å; L100-M102 HydrophobicContact CG-SD 4.49Å; M102-L175 HydrophobicContact CE-CD2 3.8Å; M102-Y178 HydrophobicContact CE-CE1 4.5Å; M102-I179 HydrophobicContact SD-CD1 4.01Å; M102-I179 HydrophobicContact SD-CG1 4.17Å; M102-V194 HydrophobicContact SD-CG1 4.41Å; M102-F195 PolarHBondContact N-O 2.86Å; M102-L196 HydrophobicContact CB-CD1 4.12Å; M102-S197 PolarHBondContact O-N 2.75Å
103A98.3Very high97.4Very high0 Ų08.3 Ų8.30%04%0.036CC..EExtended strand (participates in β ladder)trans-107.2114.2-17500000110.7L55 M57 Y101 G205 I209L55-A103 PolarHBondContact O-N 2.91Å; M57-A103 VanDerWaalsContact CB-O 3.27Å; M57-A103 WeakPolarHBondContact CB-O 3.32Å; M57-A103 WeakPolarHBondContact CG-O 3.36Å; M57-A103 PolarHBondContact N-O 3.12Å; Y101-A103 HydrophobicContact CD1-CB 4.13Å; Y101-A103 HydrophobicContact CE1-CB 3.84Å; A103-G205 WeakPolarHBondContact CB-O 3.24Å; A103-I209 HydrophobicContact CB-CD1 3.66Å; A103-I209 HydrophobicContact CB-CG1 3.79Å
104I97.9Very high97.4Very high2 Ų29.5 Ų9.51%0.014%0.042CC..  trans-93.3142.7169.2-49.2178.8000107.8M57 I61 G106 M168 L175 L196 S197 D198 A199 K208M57-I104 HydrophobicContact CB-CB 4.43Å; M57-I104 HydrophobicContact CB-CG1 3.86Å; M57-I104 HydrophobicContact CG-CG1 3.94Å; I61-I104 HydrophobicContact CD1-CG2 4.35Å; I104-G106 PolarHBondContact O-N 3.14Å; I104-M168 HydrophobicContact CG2-CE 3.28Å; I104-L175 HydrophobicContact CD1-CD1 3.61Å; I104-L175 HydrophobicContact CG1-CD1 4.42Å; I104-L196 HydrophobicContact CD1-CD1 4.47Å; I104-S197 PolarHBondContact N-O 3.09Å; I104-D198 HydrophobicContact CD1-CB 4.27Å; I104-A199 HydrophobicContact CG2-CB 4.08Å; I104-K208 WeakPolarHBondContact O-CE 3.41Å; I104-K208 PolarHBondContact O-NZ 2.89Å
105D97.3Very high97.1Very high25 Ų2511.9 Ų11.913%0.1345%0.053CC..  trans-54.4129.4172.4-83.9-13.3000110.5N58 P163 A199 E204 G205N58-D105 VanDerWaalsContact ND2-CB 3.28Å; N58-D105 WeakPolarHBondContact ND2-CB 3.32Å; N58-D105 PolarHBondContact ND2-OD2 3.45Å; N58-D105 PolarHBondContact OD1-N 3.34Å; D105-P163 WeakPolarHBondContact O-CG 3.44Å; D105-A199 WeakPolarHBondContact O-CA 3.42Å; D105-A199 VanDerWaalsContact O-CB 3.26Å; D105-A199 WeakPolarHBondContact O-CB 3.24Å; D105-E204 WeakPolarHBondContact OD1-CA 3.28Å; D105-G205 PolarHBondContact OD1-N 3.33Å
106G97.4Very high97Very high0 Ų012 Ų120%05%0.054CC..  trans-100.3-167.8167.300000112I104 A108 P163 A199 V201 G203I104-G106 PolarHBondContact O-N 3.14Å; G106-A108 PolarHBondContact O-N 2.66Å; G106-A108 VanDerWaalsContact O-N 3.14Å; G106-P163 WeakPolarHBondContact O-CG 3.25Å; G106-A199 WeakPolarHBondContact CA-O 3.16Å; G106-V201 VanDerWaalsContact CA-O 3.25Å; G106-V201 WeakPolarHBondContact CA-O 3.3Å; G106-G203 CarbonylContact C-O 3.55Å; G106-G203 VanDerWaalsContact CA-O 3.25Å; G106-G203 WeakPolarHBondContact CA-O 3.19Å; G106-G203 PolarHBondContact N-O 3.37Å
107V97.3Very high96.9Very high4 Ų412.3 Ų12.32%0.0246%0.055CC..SBendtrans-61.5118.4173.9176.40000109.7P163 G203 W628 P660 F661 P663 Q666V107-P163 HydrophobicContact CG2-CB 4.16Å; V107-G203 PolarHBondContact O-N 3.37Å; V107-W628 WeakPolarHBondContact O-CZ3 3.38Å; V107-P660 HydrophobicContact CG1-CB 4.18Å; V107-F661 HydrophobicContact CG1-CB 3.94Å; V107-F661 WeakPolarHBondContact CG1-O 3.43Å; V107-P663 HydrophobicContact CG2-CB 4.36Å; V107-P663 HydrophobicContact CG2-CG 4.2Å; V107-Q666 HydrophobicContact CG1-CB 4.17Å; V107-Q666 HydrophobicContact CG2-CB 4.22Å
108A97.4Very high96.7Very high1 Ų110.5 Ų10.51%0.0085%0.052CC..PPolyproline II helixtrans-85.8164.2-175.900000111.6G106 K112 E204G106-A108 PolarHBondContact O-N 2.66Å; G106-A108 VanDerWaalsContact O-N 3.14Å; A108-K112 HydrophobicContact CB-CB 3.99Å; A108-K112 HydrophobicContact CB-CG 4.15Å; A108-E204 HydrophobicContact CB-CG 3.7Å
109P97.6Very high96.4Very high0 Ų012.9 Ų12.90%06%0.061CC..PPolyproline II helixtrans-64.4154.2172.2-19.232.7000112.4A111 K112 M113 W616 Y620 C625 W628P109-A111 PolarHBondContact O-N 3.14Å; P109-A111 VanDerWaalsContact O-N 3.12Å; P109-K112 PolarHBondContact O-N 2.74Å; P109-M113 WeakPolarHBondContact O-CG 3.32Å; P109-M113 PolarHBondContact O-N 3.26Å; P109-W616 HydrophobicContact CB-CH2 3.78Å; P109-W616 HydrophobicContact CB-CZ2 3.6Å; P109-W616 HydrophobicContact CG-CH2 4.05Å; P109-W616 HydrophobicContact CG-CZ2 4.1Å; P109-Y620 WeakPolarHBondContact CD-OH 3.49Å; P109-Y620 HydrophobicContact CG-CE1 4.09Å; P109-Y620 HydrophobicContact CG-CE2 4.23Å; P109-C625 HydrophobicContact CG-CB 4.49Å; P109-W628 HydrophobicContact CB-CE3 4.17Å; P109-W628 HydrophobicContact CG-CE3 3.96Å; P109-W628 HydrophobicContact CG-CZ3 3.89Å
110R96.9Very high96.2Very high4 Ų413.4 Ų13.42%0.0156%0.063CC..Hα-helixtrans-54.8-35.6-175.8-177.859.2-175.2178.90.7113.8M113 N114 W628 D629 Y631 V722R110-M113 PolarHBondContact O-N 2.94Å; R110-N114 PolarHBondContact O-N 3.25Å; R110-W628 WeakPolarHBondContact CB-O 3.27Å; R110-W628 PolarHBondContact N-O 2.75Å; R110-D629 WeakPolarHBondContact CG-O 3.27Å; R110-Y631 HydrophobicContact CG-CD1 3.82Å; R110-Y631 HydrophobicContact CG-CG 4.22Å; R110-V722 PolarHBondContact NH2-O 2.88Å
111A95.9Very high95.9Very high5 Ų513.6 Ų13.64%0.0416%0.064CC..Hα-helixtrans-55.2-49.2172.200000112.9P109 F345 W616 W630P109-A111 PolarHBondContact O-N 3.14Å; P109-A111 VanDerWaalsContact O-N 3.12Å; A111-F345 HydrophobicContact CB-CB 4.2Å; A111-F345 HydrophobicContact CB-CD1 3.93Å; A111-W616 HydrophobicContact CB-CE3 4.5Å; A111-W616 HydrophobicContact CB-CH2 3.98Å; A111-W616 HydrophobicContact CB-CZ2 4.38Å; A111-W616 HydrophobicContact CB-CZ3 4.03Å; A111-W630 HydrophobicContact CB-CE3 4.13Å; A111-W630 HydrophobicContact CB-CZ3 3.97Å; A111-W630 PolarHBondContact N-O 3.12Å
112K95.8Very high95.5Very high11 Ų1115.7 Ų15.75%0.0487%0.072CC..Hα-helixtrans-69.6-37176.6-16978.3173-134.60112A108 P109 N114 Q115 Q116 E204 D344 F345A108-K112 HydrophobicContact CB-CB 3.99Å; A108-K112 HydrophobicContact CB-CG 4.15Å; P109-K112 PolarHBondContact O-N 2.74Å; K112-N114 PolarHBondContact O-N 3.12Å; K112-Q115 WeakPolarHBondContact O-CA 3.32Å; K112-Q115 WeakPolarHBondContact O-CB 3.46Å; K112-Q115 PolarHBondContact O-N 2.84Å; K112-Q116 HydrophobicContact CG-CG 4.2Å; K112-Q116 PolarHBondContact O-N 3.34Å; K112-E204 WeakPolarHBondContact CD-OE2 3.3Å; K112-E204 WeakPolarHBondContact CE-OE2 3.43Å; K112-E204 HydrophobicContact CG-CG 4.44Å; K112-E204 VanDerWaalsContact CG-OE2 3.25Å; K112-E204 WeakPolarHBondContact CG-OE2 3.35Å; K112-E204 IonicContact NZ-OE2 3.35Å; K112-E204 PolarHBondContact NZ-OE2 3.18Å; K112-D344 HydrophobicContact CD-CB 4.07Å; K112-D344 WeakPolarHBondContact CE-OD2 3.36Å; K112-D344 IonicContact NZ-OD2 2.94Å; K112-D344 PolarHBondContact NZ-OD2 3.44Å; K112-F345 HydrophobicContact CB-CD1 4.32Å; K112-F345 HydrophobicContact CB-CE1 4Å; K112-F345 HydrophobicContact CD-CE1 3.98Å
113M96.7Very high94.9Very high3 Ų317.4 Ų17.42%0.0159%0.085CC..Hα-helixtrans-56.5-35.2-179.8-67.2169.66000112.5P109 R110 Q116 R117 F661 Q666 S669 V670P109-M113 WeakPolarHBondContact O-CG 3.32Å; P109-M113 PolarHBondContact O-N 3.26Å; R110-M113 PolarHBondContact O-N 2.94Å; M113-Q116 PolarHBondContact O-N 3.5Å; M113-R117 VanDerWaalsContact O-CB 3.32Å; M113-R117 WeakPolarHBondContact O-CB 3.43Å; M113-R117 PolarHBondContact O-N 2.89Å; M113-F661 HydrophobicContact CE-CD2 3.65Å; M113-F661 HydrophobicContact CE-CE2 3.83Å; M113-F661 HydrophobicContact CE-CG 4.37Å; M113-Q666 HydrophobicContact CE-CB 4.48Å; M113-Q666 HydrophobicContact CE-CG 4.14Å; M113-S669 WeakPolarHBondContact CE-OG 3.5Å; M113-V670 HydrophobicContact CB-CG1 4.07Å; M113-V670 HydrophobicContact CE-CG1 4.39Å; M113-V670 HydrophobicContact CG-CG1 4.42Å
114N94.8Very high94.4Very high26 Ų2618.1 Ų18.114%0.1399%0.092CC..Hα-helixtrans-64.4-42.2174.2-70.9-25000112.5R110 K112 S118 Y631R110-N114 PolarHBondContact O-N 3.25Å; K112-N114 PolarHBondContact O-N 3.12Å; N114-S118 WeakPolarHBondContact O-CB 3.33Å; N114-S118 PolarHBondContact O-N 2.72Å; N114-Y631 WeakPolarHBondContact ND2-CB 3.1Å; N114-Y631 WeakPolarHBondContact ND2-CD2 3.25Å
115Q92.4Very high93.9Very high49 Ų4919.9 Ų19.923%0.22910%0.1CC..Hα-helixtrans-63.2-47.2174.2-170-90.531.100110.7K112 R117 S118 R119 D344K112-Q115 WeakPolarHBondContact O-CA 3.32Å; K112-Q115 WeakPolarHBondContact O-CB 3.46Å; K112-Q115 PolarHBondContact O-N 2.84Å; Q115-R117 PolarHBondContact O-N 3.09Å; Q115-S118 WeakPolarHBondContact O-CB 3.43Å; Q115-S118 PolarHBondContact O-N 2.76Å; Q115-R119 PolarHBondContact O-N 3.31Å; Q115-D344 WeakPolarHBondContact CB-O 3.48Å; Q115-D344 PolarHBondContact NE2-OD1 3.05Å; Q115-D344 PolarHBondContact NE2-OD2 2.86Å; Q115-D344 VanDerWaalsContact NE2-OD2 3.15Å
116Q93.9Very high93.3Very high5 Ų522.9 Ų22.92%0.02311%0.113CC..Hα-helixtrans-60-45178.3-69.2-168.414.800111.5K112 M113 R119 R120K112-Q116 HydrophobicContact CG-CG 4.2Å; K112-Q116 PolarHBondContact O-N 3.34Å; M113-Q116 PolarHBondContact O-N 3.5Å; Q116-R119 WeakPolarHBondContact O-CB 3.49Å; Q116-R119 PolarHBondContact O-N 3.35Å; Q116-R120 WeakPolarHBondContact O-CD 3.38Å; Q116-R120 WeakPolarHBondContact O-CG 3.46Å; Q116-R120 PolarHBondContact O-N 2.97Å
117R95.9Very high92.6Very high7 Ų725.2 Ų25.23%0.02613%0.132CC..Hα-helixtrans-59.7-48.3175.7-172.1-174.2179.5-158.4-5111.9M113 Q115 R119 R120 F121 S669 V670 F697 L719 P720M113-R117 VanDerWaalsContact O-CB 3.32Å; M113-R117 WeakPolarHBondContact O-CB 3.43Å; M113-R117 PolarHBondContact O-N 2.89Å; Q115-R117 PolarHBondContact O-N 3.09Å; R117-R119 PolarHBondContact O-N 3.05Å; R117-R120 PolarHBondContact O-N 3.28Å; R117-R120 VanDerWaalsContact O-N 3.16Å; R117-F121 HydrophobicContact CG-CD2 3.63Å; R117-F121 HydrophobicContact CG-CE2 3.6Å; R117-F121 WeakPolarHBondContact O-CD2 3.34Å; R117-F121 PolarHBondContact O-N 2.71Å; R117-S669 WeakPolarHBondContact CD-O 3.3Å; R117-V670 WeakPolarHBondContact CA-O 3.23Å; R117-V670 HydrophobicContact CB-CB 4.38Å; R117-F697 PolarHBondContact NH2-O 3.09Å; R117-L719 HydrophobicContact CG-CD1 4.22Å; R117-P720 VanDerWaalsContact CZ-O 3.25Å; R117-P720 PolarHBondContact NH1-O 3.02Å; R117-P720 PolarHBondContact NH2-O 2.95Å
118S92.9Very high92Very high25 Ų2530.2 Ų30.218%0.17515%0.154CC..Hα-helixtrans-56.6-37175.3178.90000112.4N114 Q115 R122N114-S118 WeakPolarHBondContact O-CB 3.33Å; N114-S118 PolarHBondContact O-N 2.72Å; Q115-S118 WeakPolarHBondContact O-CB 3.43Å; Q115-S118 PolarHBondContact O-N 2.76Å; S118-R122 WeakPolarHBondContact O-CB 3.35Å; S118-R122 VanDerWaalsContact O-CG 3.31Å; S118-R122 WeakPolarHBondContact O-CG 3.46Å; S118-R122 PolarHBondContact O-N 2.91Å; S118-R122 PolarHBondContact O-NE 3.47Å
119R91.6Very high91.5Very high100 Ų10033.6 Ų33.638%0.37717%0.17SC..Hα-helixtrans-68.7-46.2174.7-168.8171.776.2-134.420.5112.4Q115 Q116 R117 R122 A123Q115-R119 PolarHBondContact O-N 3.31Å; Q116-R119 WeakPolarHBondContact O-CB 3.49Å; Q116-R119 PolarHBondContact O-N 3.35Å; R117-R119 PolarHBondContact O-N 3.05Å; R119-R122 PolarHBondContact O-N 3.21Å; R119-A123 WeakPolarHBondContact O-CB 3.44Å; R119-A123 PolarHBondContact O-N 3.46Å
120R93.5Very high90.8Very high12 Ų1238.1 Ų38.15%0.04519%0.189CC..Hα-helixtrans-68.5-43.7-176.1-64.7151.6-174.8-99.6-8.5113Q116 R117 A123 A124 N159 T162 V670 F671Q116-R120 WeakPolarHBondContact O-CD 3.38Å; Q116-R120 WeakPolarHBondContact O-CG 3.46Å; Q116-R120 PolarHBondContact O-N 2.97Å; R117-R120 PolarHBondContact O-N 3.28Å; R117-R120 VanDerWaalsContact O-N 3.16Å; R120-A123 PolarHBondContact O-N 3.29Å; R120-A124 PolarHBondContact O-N 3.4Å; R120-N159 WeakPolarHBondContact CG-OD1 3.48Å; R120-T162 VanDerWaalsContact CZ-OG1 3.26Å; R120-T162 PolarHBondContact NH1-OG1 2.68Å; R120-T162 PolarHBondContact NH2-OG1 3.1Å; R120-V670 WeakPolarHBondContact CD-O 3.4Å; R120-V670 VanDerWaalsContact NH1-CG2 3.29Å; R120-F671 VanDerWaalsContact NH1-CD1 3.35Å
121F93.8Very high90.3Very high4 Ų443.4 Ų43.42%0.01821%0.214CC..Hα-helixtrans-63-42.8175-88-106.1000111.6R117 A124 Q125 F671 P672 Y698 P699 F702 L719R117-F121 HydrophobicContact CG-CD2 3.63Å; R117-F121 HydrophobicContact CG-CE2 3.6Å; R117-F121 WeakPolarHBondContact O-CD2 3.34Å; R117-F121 PolarHBondContact O-N 2.71Å; F121-A124 PolarHBondContact O-N 3.48Å; F121-Q125 PolarHBondContact O-N 3.17Å; F121-F671 VanDerWaalsContact CE2-C 3.5Å; F121-F671 WeakPolarHBondContact CE2-O 3.38Å; F121-P672 HydrophobicContact CD1-CB 3.99Å; F121-P672 HydrophobicContact CD2-CB 4.01Å; F121-P672 HydrophobicContact CE1-CB 4.06Å; F121-P672 HydrophobicContact CE2-CB 4.09Å; F121-P672 HydrophobicContact CG-CB 3.98Å; F121-P672 HydrophobicContact CZ-CB 4.12Å; F121-Y698 HydrophobicContact CZ-CD1 4.37Å; F121-P699 HydrophobicContact CE1-CG 4.39Å; F121-F702 HydrophobicContact CB-CE1 3.87Å; F121-F702 HydrophobicContact CB-CZ 3.86Å; F121-F702 HydrophobicContact CD1-CD1 4.2Å; F121-F702 AromaticContact CD1-CE1 3.98Å; F121-F702 HydrophobicContact CD1-CE1 3.98Å; F121-F702 HydrophobicContact CG-CE1 4.45Å; F121-L719 HydrophobicContact CB-CD1 3.73Å; F121-L719 HydrophobicContact CB-CD2 4.25Å; F121-L719 HydrophobicContact CD1-CD1 4.21Å; F121-L719 HydrophobicContact CD1-CD2 3.6Å; F121-L719 HydrophobicContact CD2-CD1 3.98Å; F121-L719 HydrophobicContact CE1-CD2 4.1Å; F121-L719 HydrophobicContact CG-CD1 3.71Å; F121-L719 HydrophobicContact CG-CD2 3.98Å
122R89.4Confident89.9Confident47 Ų4747.6 Ų47.618%0.17724%0.235CC..Hα-helixtrans-63.1-45.4173.6-76.3-174.4-68.7158.54112.2S118 R119 A124 Q125 E126 F702 I704 W713 A717S118-R122 WeakPolarHBondContact O-CB 3.35Å; S118-R122 VanDerWaalsContact O-CG 3.31Å; S118-R122 WeakPolarHBondContact O-CG 3.46Å; S118-R122 PolarHBondContact O-N 2.91Å; S118-R122 PolarHBondContact O-NE 3.47Å; R119-R122 PolarHBondContact O-N 3.21Å; R122-A124 VanDerWaalsContact C-N 3.31Å; R122-A124 PolarHBondContact O-N 2.96Å; R122-Q125 PolarHBondContact O-N 3.26Å; R122-E126 WeakPolarHBondContact O-CB 3.46Å; R122-E126 WeakPolarHBondContact O-CG 3.31Å; R122-E126 PolarHBondContact O-N 3.12Å; R122-F702 HydrophobicContact CG-CE2 4.17Å; R122-F702 HydrophobicContact CG-CZ 4.29Å; R122-I704 HydrophobicContact CG-CD1 4.13Å; R122-W713 PolarHBondContact NH1-O 3.43Å; R122-A717 HydrophobicContact CG-CB 3.98Å
123A86.4Confident89.5Confident35 Ų3548.1 Ų48.129%0.28924%0.239SC..Hα-helixtrans-59.2-40.5177.300000112.6R119 R120 A127R119-A123 WeakPolarHBondContact O-CB 3.44Å; R119-A123 PolarHBondContact O-N 3.46Å; R120-A123 PolarHBondContact O-N 3.29Å; A123-A127 WeakPolarHBondContact O-CB 3.44Å; A123-A127 PolarHBondContact O-N 3.3Å
124A88.2Confident88.9Confident16 Ų1649.4 Ų49.413%0.13225%0.245CC..Hα-helixtrans-65.7-42.7175.100000112.6R120 F121 R122 K128 P672 D674R120-A124 PolarHBondContact O-N 3.4Å; F121-A124 PolarHBondContact O-N 3.48Å; R122-A124 VanDerWaalsContact C-N 3.31Å; R122-A124 PolarHBondContact O-N 2.96Å; A124-K128 WeakPolarHBondContact O-CB 3.31Å; A124-K128 PolarHBondContact O-N 2.94Å; A124-P672 HydrophobicContact CB-CB 4.22Å; A124-P672 HydrophobicContact CB-CG 3.68Å; A124-D674 HydrophobicContact CB-CB 4.48Å
125Q86.7Confident88.6Confident39 Ų3953.3 Ų53.318%0.18226%0.263CS..Hα-helixtrans-63.1-49.6174.6179.2173.31.400111.8F121 R122 A127 K128 E129 F702F121-Q125 PolarHBondContact O-N 3.17Å; R122-Q125 PolarHBondContact O-N 3.26Å; Q125-A127 VanDerWaalsContact C-N 3.34Å; Q125-A127 PolarHBondContact O-N 3.16Å; Q125-K128 WeakPolarHBondContact O-CB 3.27Å; Q125-K128 PolarHBondContact O-N 3.04Å; Q125-E129 HydrophobicContact CG-CG 4.4Å; Q125-E129 VanDerWaalsContact CG-OE1 3.29Å; Q125-E129 WeakPolarHBondContact CG-OE1 3.48Å; Q125-E129 PolarHBondContact NE2-OE1 3.4Å; Q125-E129 WeakPolarHBondContact O-CG 3.41Å; Q125-E129 PolarHBondContact O-N 3.05Å; Q125-F702 HydrophobicContact CB-CE1 4.38Å; Q125-F702 HydrophobicContact CB-CZ 4.24Å
126E84Confident88.5Confident88 Ų8856.1 Ų56.141%0.41127%0.271SS..Hα-helixtrans-60.8-41.1178.9-72.5174.2-172.800111.5R122 K130R122-E126 WeakPolarHBondContact O-CB 3.46Å; R122-E126 WeakPolarHBondContact O-CG 3.31Å; R122-E126 PolarHBondContact O-N 3.12Å; E126-K130 WeakPolarHBondContact O-CB 3.22Å; E126-K130 PolarHBondContact O-N 2.87Å
127A83.7Confident88.2Confident49 Ų4956.9 Ų56.941%0.40528%0.276SS..Hα-helixtrans-62.9-43.1175.100000112.2A123 Q125 K130 Q131A123-A127 WeakPolarHBondContact O-CB 3.44Å; A123-A127 PolarHBondContact O-N 3.3Å; Q125-A127 VanDerWaalsContact C-N 3.34Å; Q125-A127 PolarHBondContact O-N 3.16Å; A127-K130 PolarHBondContact O-N 3.02Å; A127-Q131 WeakPolarHBondContact O-CB 3.5Å; A127-Q131 PolarHBondContact O-N 2.83Å
128K85.1Confident87.9Confident108 Ų10858.5 Ų58.547%0.4728%0.282SS..Hα-helixtrans-65.2-45.9177.5-174.4176.8-175.6172.50112.1A124 Q125 Q131 I132A124-K128 WeakPolarHBondContact O-CB 3.31Å; A124-K128 PolarHBondContact O-N 2.94Å; Q125-K128 WeakPolarHBondContact O-CB 3.27Å; Q125-K128 PolarHBondContact O-N 3.04Å; K128-Q131 PolarHBondContact O-N 3.3Å; K128-I132 HydrophobicContact CG-CD1 4.27Å; K128-I132 WeakPolarHBondContact O-CD1 3.27Å; K128-I132 VanDerWaalsContact O-CG1 3.28Å; K128-I132 WeakPolarHBondContact O-CG1 3.22Å; K128-I132 PolarHBondContact O-N 3.22Å
129E85.7Confident87.7Confident73 Ų7361.5 Ų61.534%0.34130%0.296SS..Hα-helixtrans-64.5-40.7176-72.3178.5-16700112Q125 T133Q125-E129 HydrophobicContact CG-CG 4.4Å; Q125-E129 VanDerWaalsContact CG-OE1 3.29Å; Q125-E129 WeakPolarHBondContact CG-OE1 3.48Å; Q125-E129 PolarHBondContact NE2-OE1 3.4Å; Q125-E129 WeakPolarHBondContact O-CG 3.41Å; Q125-E129 PolarHBondContact O-N 3.05Å; E129-T133 WeakPolarHBondContact O-CB 3.46Å; E129-T133 PolarHBondContact O-N 2.9Å; E129-T133 PolarHBondContact O-OG1 3.4Å
130K84.4Confident87.6Confident94 Ų9459.7 Ų59.741%0.40929%0.292SS..Hα-helixtrans-62.5-46174.1-177.4173.5-179.4174.30111.4E126 A127 T133 I134 D265E126-K130 WeakPolarHBondContact O-CB 3.22Å; E126-K130 PolarHBondContact O-N 2.87Å; A127-K130 PolarHBondContact O-N 3.02Å; K130-T133 PolarHBondContact O-N 3.4Å; K130-T133 VanDerWaalsContact O-N 3.15Å; K130-I134 HydrophobicContact CD-CD1 4.45Å; K130-I134 HydrophobicContact CG-CD1 3.88Å; K130-I134 HydrophobicContact CG-CG1 4.36Å; K130-I134 WeakPolarHBondContact O-CG1 3.38Å; K130-I134 PolarHBondContact O-N 3.44Å; K130-D265 WeakPolarHBondContact CE-OD2 3.36Å; K130-D265 IonicContact NZ-OD1 2.69Å; K130-D265 IonicContact NZ-OD2 2.75Å; K130-D265 PolarHBondContact NZ-OD2 2.94Å
131Q85.4Confident87.4Confident115 Ų11559.9 Ų59.954%0.53729%0.293SS..Hα-helixtrans-61.2-46.5179.1-175.163.89.700111.9A127 K128 T133 I134 E135A127-Q131 WeakPolarHBondContact O-CB 3.5Å; A127-Q131 PolarHBondContact O-N 2.83Å; K128-Q131 PolarHBondContact O-N 3.3Å; Q131-T133 VanDerWaalsContact C-N 3.26Å; Q131-T133 PolarHBondContact O-N 3.09Å; Q131-I134 PolarHBondContact O-N 3.1Å; Q131-E135 WeakPolarHBondContact O-CB 3.32Å; Q131-E135 PolarHBondContact O-N 2.62Å
132I88Confident87.1Confident94 Ų9463.8 Ų63.848%0.48231%0.313SS..Hα-helixtrans-59.1-38.7175-67.6164.7000111.1K128 R136K128-I132 HydrophobicContact CG-CD1 4.27Å; K128-I132 WeakPolarHBondContact O-CD1 3.27Å; K128-I132 VanDerWaalsContact O-CG1 3.28Å; K128-I132 WeakPolarHBondContact O-CG1 3.22Å; K128-I132 PolarHBondContact O-N 3.22Å; I132-R136 WeakPolarHBondContact O-CB 3.44Å; I132-R136 PolarHBondContact O-N 3.36Å
133T86.6Confident87.1Confident21 Ų2165.8 Ų65.813%0.12934%0.34CS..Hα-helixtrans-72.3-41.7179.7-54.40000112E129 K130 Q131 R136 L137 M274E129-T133 WeakPolarHBondContact O-CB 3.46Å; E129-T133 PolarHBondContact O-N 2.9Å; E129-T133 PolarHBondContact O-OG1 3.4Å; K130-T133 PolarHBondContact O-N 3.4Å; K130-T133 VanDerWaalsContact O-N 3.15Å; Q131-T133 VanDerWaalsContact C-N 3.26Å; Q131-T133 PolarHBondContact O-N 3.09Å; T133-R136 PolarHBondContact O-N 3Å; T133-L137 HydrophobicContact CG2-CD1 4.26Å; T133-L137 WeakPolarHBondContact O-CB 3.49Å; T133-L137 WeakPolarHBondContact O-CG 3.49Å; T133-L137 PolarHBondContact O-N 2.8Å; T133-M274 HydrophobicContact CG2-CE 3.73Å
134I85.8Confident87.2Confident30 Ų3071.8 Ų71.815%0.15436%0.355CS..Hα-helixtrans-60.1-48.5173.4-74.6174.6000110.3K130 Q131 R136 L137 R138 D265 L266 M274K130-I134 HydrophobicContact CD-CD1 4.45Å; K130-I134 HydrophobicContact CG-CD1 3.88Å; K130-I134 HydrophobicContact CG-CG1 4.36Å; K130-I134 WeakPolarHBondContact O-CG1 3.38Å; K130-I134 PolarHBondContact O-N 3.44Å; Q131-I134 PolarHBondContact O-N 3.1Å; I134-R136 PolarHBondContact O-N 2.94Å; I134-L137 PolarHBondContact O-N 3.45Å; I134-R138 WeakPolarHBondContact O-CB 3.49Å; I134-R138 PolarHBondContact O-N 3.31Å; I134-D265 HydrophobicContact CD1-CB 4.15Å; I134-L266 HydrophobicContact CG2-CD2 4.02Å; I134-M274 HydrophobicContact CG1-CE 3.7Å
135E87.8Confident86.9Confident109 Ų10974 Ų7451%0.50938%0.379SS..Hα-helixtrans-60.8-44.8179.3-173.4178.7-177.100111.6Q131 R138 N139Q131-E135 WeakPolarHBondContact O-CB 3.32Å; Q131-E135 PolarHBondContact O-N 2.62Å; E135-R138 PolarHBondContact O-N 2.8Å; E135-N139 WeakPolarHBondContact O-CB 3.32Å; E135-N139 PolarHBondContact O-N 3.25Å; E135-N139 PolarHBondContact O-ND2 2.68Å
136R89.9Confident86.6Confident107 Ų10773.2 Ų73.240%0.40438%0.379SS..Hα-helixtrans-59.4-53.9176.2-166.3-167.976.2-138-7.2111.8I132 T133 I134 R138 N139 E140I132-R136 WeakPolarHBondContact O-CB 3.44Å; I132-R136 PolarHBondContact O-N 3.36Å; T133-R136 PolarHBondContact O-N 3Å; I134-R136 PolarHBondContact O-N 2.94Å; R136-R138 VanDerWaalsContact C-N 3.35Å; R136-R138 PolarHBondContact O-N 2.81Å; R136-N139 PolarHBondContact O-N 3.08Å; R136-E140 WeakPolarHBondContact CD-OE1 3.49Å; R136-E140 WeakPolarHBondContact CG-OE1 3.5Å; R136-E140 IonicContact NE-OE1 2.81Å; R136-E140 PolarHBondContact NE-OE1 3.3Å; R136-E140 VanDerWaalsContact NE-OE1 3.09Å; R136-E140 WeakPolarHBondContact O-CG 3.43Å; R136-E140 PolarHBondContact O-N 2.77Å
137L87.9Confident86.5Confident22 Ų2272.6 Ų72.612%0.11538%0.377CS..Hα-helixtrans-64.7-38.6-178.2-70.8179.2000112.2T133 I134 N139 E140 L141 L266 M274T133-L137 HydrophobicContact CG2-CD1 4.26Å; T133-L137 WeakPolarHBondContact O-CB 3.49Å; T133-L137 WeakPolarHBondContact O-CG 3.49Å; T133-L137 PolarHBondContact O-N 2.8Å; I134-L137 PolarHBondContact O-N 3.45Å; L137-N139 PolarHBondContact O-N 3.3Å; L137-E140 PolarHBondContact O-N 3.21Å; L137-L141 WeakPolarHBondContact O-CB 3.27Å; L137-L141 WeakPolarHBondContact O-CG 3.44Å; L137-L141 PolarHBondContact O-N 2.78Å; L137-L266 HydrophobicContact CB-CD1 3.76Å; L137-L266 HydrophobicContact CB-CD2 4.37Å; L137-L266 HydrophobicContact CD1-CD1 4.11Å; L137-M274 HydrophobicContact CD1-CB 4.48Å; L137-M274 HydrophobicContact CD1-CE 3.74Å; L137-M274 HydrophobicContact CD1-CG 4.37Å
138R89.6Confident86.4Confident40 Ų4070.9 Ų70.915%0.15136%0.361CS..Hα-helixtrans-59-46.3173.9-178.2177.7-172.788.713.2111.4I134 E135 R136 L141 I142 L148 P149 L266I134-R138 WeakPolarHBondContact O-CB 3.49Å; I134-R138 PolarHBondContact O-N 3.31Å; E135-R138 PolarHBondContact O-N 2.8Å; R136-R138 VanDerWaalsContact C-N 3.35Å; R136-R138 PolarHBondContact O-N 2.81Å; R138-L141 PolarHBondContact O-N 3.34Å; R138-I142 HydrophobicContact CG-CD1 3.78Å; R138-I142 WeakPolarHBondContact O-CB 3.49Å; R138-I142 VanDerWaalsContact O-CG1 3.28Å; R138-I142 WeakPolarHBondContact O-CG1 3.42Å; R138-I142 PolarHBondContact O-N 3.23Å; R138-L148 HydrophobicContact CB-CD1 4.32Å; R138-L148 HydrophobicContact CG-CD1 3.87Å; R138-P149 PolarHBondContact NH1-O 2.74Å; R138-P149 PolarHBondContact NH2-O 2.84Å; R138-L266 HydrophobicContact CB-CD2 4.08Å
139N89.1Confident86.2Confident89 Ų8968 Ų6848%0.47635%0.353SS..Hα-helixtrans-66-40.8177.7-70.9-24.2000112E135 R136 L137 L141 A143E135-N139 WeakPolarHBondContact O-CB 3.32Å; E135-N139 PolarHBondContact O-N 3.25Å; E135-N139 PolarHBondContact O-ND2 2.68Å; R136-N139 PolarHBondContact O-N 3.08Å; L137-N139 PolarHBondContact O-N 3.3Å; N139-L141 PolarHBondContact O-N 3.16Å; N139-A143 VanDerWaalsContact O-CB 3.23Å; N139-A143 WeakPolarHBondContact O-CB 3.25Å; N139-A143 PolarHBondContact O-N 3.33Å
140E89.5Confident85.9Confident62 Ų6269.6 Ų69.629%0.2937%0.37SS..Hα-helixtrans-61.5-40.3174.1-72.7179.8-131.900112.3R136 L137 R144 Q491R136-E140 WeakPolarHBondContact CD-OE1 3.49Å; R136-E140 WeakPolarHBondContact CG-OE1 3.5Å; R136-E140 IonicContact NE-OE1 2.81Å; R136-E140 PolarHBondContact NE-OE1 3.3Å; R136-E140 VanDerWaalsContact NE-OE1 3.09Å; R136-E140 WeakPolarHBondContact O-CG 3.43Å; R136-E140 PolarHBondContact O-N 2.77Å; L137-E140 PolarHBondContact O-N 3.21Å; E140-R144 WeakPolarHBondContact O-CG 3.5Å; E140-R144 PolarHBondContact O-N 3.14Å; E140-Q491 PolarHBondContact OE2-NE2 3.3Å
141L88.4Confident85.5Confident15 Ų1569.3 Ų69.38%0.07938%0.377CS..Hα-helixtrans-73-43.6179-74.4174.8000113L137 R138 N139 A143 R144 G145 A146 L148 L266 C277L137-L141 WeakPolarHBondContact O-CB 3.27Å; L137-L141 WeakPolarHBondContact O-CG 3.44Å; L137-L141 PolarHBondContact O-N 2.78Å; R138-L141 PolarHBondContact O-N 3.34Å; N139-L141 PolarHBondContact O-N 3.16Å; L141-A143 VanDerWaalsContact C-N 3.3Å; L141-A143 PolarHBondContact O-N 3.41Å; L141-R144 CarbonylContact O-C 3.59Å; L141-R144 WeakPolarHBondContact O-CA 3.38Å; L141-R144 WeakPolarHBondContact O-CB 3.37Å; L141-R144 PolarHBondContact O-N 3.44Å; L141-R144 VanDerWaalsContact O-N 3.08Å; L141-G145 PolarHBondContact O-N 3.33Å; L141-A146 HydrophobicContact CB-CB 4.11Å; L141-A146 HydrophobicContact CD2-CB 4.42Å; L141-A146 WeakPolarHBondContact O-CB 3.43Å; L141-A146 PolarHBondContact O-N 3.25Å; L141-L148 HydrophobicContact CB-CD1 3.91Å; L141-L148 HydrophobicContact CD1-CD1 4.08Å; L141-L148 HydrophobicContact CD1-CD2 4.44Å; L141-L266 HydrophobicContact CD1-CD1 3.98Å; L141-C277 HydrophobicContact CD1-CB 4.13Å; L141-C277 VanDerWaalsContact CD2-O 3.23Å; L141-C277 WeakPolarHBondContact CD2-O 3.27Å
142I87.9Confident84.6Confident86 Ų8670.8 Ų70.844%0.44138%0.382SS..Hα-helixtrans-61.8-41174.6-68.8169.4000110.2R138 R144 G145 L148R138-I142 HydrophobicContact CG-CD1 3.78Å; R138-I142 WeakPolarHBondContact O-CB 3.49Å; R138-I142 VanDerWaalsContact O-CG1 3.28Å; R138-I142 WeakPolarHBondContact O-CG1 3.42Å; R138-I142 PolarHBondContact O-N 3.23Å; I142-R144 PolarHBondContact O-N 3.23Å; I142-G145 PolarHBondContact O-N 3.08Å; I142-L148 HydrophobicContact CG1-CD1 4.39Å
143A88.9Confident83.3Confident89 Ų8974.5 Ų74.574%0.73640%0.397SS*.Hα-helixtrans-64.2-25.1175.200000113.6N139 L141 G145N139-A143 VanDerWaalsContact O-CB 3.23Å; N139-A143 WeakPolarHBondContact O-CB 3.25Å; N139-A143 PolarHBondContact O-N 3.33Å; L141-A143 VanDerWaalsContact C-N 3.3Å; L141-A143 PolarHBondContact O-N 3.41Å; A143-G145 VanDerWaalsContact C-N 3.33Å
144R87.8Confident82.1Confident162 Ų16283 Ų8361%0.61144%0.436SS*.THydrogen-bonded Turntrans-85.30.3171.7-72.3170.3171.2-172.8-2.1113.6E140 L141 I142 Q491E140-R144 WeakPolarHBondContact O-CG 3.5Å; E140-R144 PolarHBondContact O-N 3.14Å; L141-R144 CarbonylContact O-C 3.59Å; L141-R144 WeakPolarHBondContact O-CA 3.38Å; L141-R144 WeakPolarHBondContact O-CB 3.37Å; L141-R144 PolarHBondContact O-N 3.44Å; L141-R144 VanDerWaalsContact O-N 3.08Å; I142-R144 PolarHBondContact O-N 3.23Å; R144-Q491 VanDerWaalsContact NH2-CD 3.32Å
145G82.5Confident81.3Confident61 Ų6189 Ų8963%0.62946%0.463SS*.THydrogen-bonded Turntrans81.615179.900000115L141 I142 A143L141-G145 PolarHBondContact O-N 3.33Å; I142-G145 PolarHBondContact O-N 3.08Å; A143-G145 VanDerWaalsContact C-N 3.33Å
146A81.1Confident80.9Confident23 Ų2386.2 Ų86.219%0.1945%0.449CS..  trans-75.413717400000111L141 V278L141-A146 HydrophobicContact CB-CB 4.11Å; L141-A146 HydrophobicContact CD2-CB 4.42Å; L141-A146 WeakPolarHBondContact O-CB 3.43Å; L141-A146 PolarHBondContact O-N 3.25Å; A146-V278 WeakPolarHBondContact CB-O 3.37Å
147H82.1Confident80.7Confident76 Ų7683.1 Ų83.135%0.35244%0.44SS..BIsolated β-bridgetrans-80.2136.5171.5-176.576.4000109.6G279 A280H147-G279 WeakPolarHBondContact O-CA 3.39Å; H147-A280 PolarHBondContact O-N 3.05Å
148L81.9Confident80.7Confident13 Ų1383.8 Ų83.87%0.06845%0.446CS..  trans-136.1139.9177-73.2175.7000109.4R138 L141 I142 L266 C267R138-L148 HydrophobicContact CB-CD1 4.32Å; R138-L148 HydrophobicContact CG-CD1 3.87Å; L141-L148 HydrophobicContact CB-CD1 3.91Å; L141-L148 HydrophobicContact CD1-CD1 4.08Å; L141-L148 HydrophobicContact CD1-CD2 4.44Å; I142-L148 HydrophobicContact CG1-CD1 4.39Å; L148-L266 HydrophobicContact CD2-CB 4.23Å; L148-C267 HydrophobicContact CD2-CB 4.02Å
149P80.7Confident80.8Confident47 Ų4782.4 Ų82.431%0.30544%0.442SS..PPolyproline II helixtrans-56.4155.8172.728.1-35.9000109.7R138 L266R138-P149 PolarHBondContact NH1-O 2.74Å; R138-P149 PolarHBondContact NH2-O 2.84Å; P149-L266 WeakPolarHBondContact CD-O 3.31Å; P149-L266 WeakPolarHBondContact CG-O 3.43Å
150P79.3Confident81Confident107 Ų10778.5 Ų78.570%0.69542%0.422SS*.PPolyproline II helixtrans-52.2154.8178.222.5-33.9000111.8K152P150-K152 PolarHBondContact O-N 3.47Å
151P75.1Confident81.2Confident87 Ų8775.9 Ų75.957%0.56541%0.409SS*.PPolyproline II helixtrans-51.4138.8172.7-21.232.3000109.9E153P151-E153 PolarHBondContact O-N 3.42Å
152K67.4Low81.5Confident147 Ų14775.1 Ų75.164%0.63941%0.406SS*.PPolyproline II helixtrans-56.5136173.8-63.4176.9-176.4178.20108.3P150 D265P150-K152 PolarHBondContact O-N 3.47Å; K152-D265 IonicContact NZ-OD1 3.37Å; K152-D265 PolarHBondContact NZ-OD1 3.35Å
153E60.5Low82Confident172 Ų17271.2 Ų71.280%0.80439%0.386SS*.PPolyproline II helixtrans-61.5169.2173.7-66.8177.1161.200110.9P151 H155P151-E153 PolarHBondContact O-N 3.42Å; E153-H155 PolarHBondContact O-N 3.19Å
154E61.5Low82.3Confident200 Ų20067 Ų6794%0.93535%0.352SS*.  trans-46129.4-166.5-67.1-171.8152.700114.1F156E154-F156 PolarHBondContact O-N 3.41Å
155H68.4Low82.7Confident156 Ų15659.4 Ų59.472%0.72232%0.323SS*.  trans-66123.8-179-177.3-68.7000110.6E153 D157E153-H155 PolarHBondContact O-N 3.19Å; H155-D157 PolarHBondContact O-N 3.1Å
156F80Confident83.3Confident50 Ų5058.2 Ų58.222%0.21930%0.304CS..  trans-56111.8171.9173.2-102.4000110.5T65 M79 E154 S158 C160 I161 F167T65-F156 HydrophobicContact CG2-CE1 4.01Å; T65-F156 HydrophobicContact CG2-CZ 3.91Å; M79-F156 HydrophobicContact CE-CB 4.36Å; M79-F156 HydrophobicContact CE-CD2 3.5Å; M79-F156 HydrophobicContact CE-CE2 3.83Å; M79-F156 HydrophobicContact CE-CG 3.91Å; M79-F156 HydrophobicContact CE-CZ 4.5Å; M79-F156 HydrophobicContact SD-CD2 3.95Å; M79-F156 HydrophobicContact SD-CE2 3.6Å; M79-F156 VanDerWaalsContact SD-CE2 3.6Å; M79-F156 HydrophobicContact SD-CZ 4.04Å; E154-F156 PolarHBondContact O-N 3.41Å; F156-S158 PolarHBondContact O-N 3.43Å; F156-C160 VanDerWaalsContact CE2-SG 3.56Å; F156-C160 WeakPolarHBondContact CZ-SG 3.36Å; F156-I161 HydrophobicContact CE1-CD1 4.25Å; F156-I161 HydrophobicContact CE1-CG1 4.49Å; F156-I161 HydrophobicContact CZ-CG1 4.49Å; F156-F167 HydrophobicContact CE2-CE2 4.3Å; F156-F167 HydrophobicContact CZ-CE2 4.24Å; F156-F167 HydrophobicContact CZ-CZ 4.35Å
157D84.9Confident84Confident42 Ų4257.2 Ų57.223%0.22530%0.296CS..  trans-72.497179.1-177.611.1000110.3H155 N159 C160 S675 H678H155-D157 PolarHBondContact O-N 3.1Å; D157-N159 PolarHBondContact O-N 2.86Å; D157-N159 WeakPolarHBondContact OD1-CB 3.38Å; D157-N159 PolarHBondContact OD1-N 2.67Å; D157-N159 PolarHBondContact OD1-ND2 2.92Å; D157-C160 VanDerWaalsContact O-CB 3.27Å; D157-C160 WeakPolarHBondContact O-CB 3.28Å; D157-C160 PolarHBondContact O-N 3.47Å; D157-C160 PolarHBondContact O-SG 3.28Å; D157-S675 WeakPolarHBondContact OD2-CB 3.17Å; D157-S675 PolarHBondContact OD2-OG 3.34Å; D157-H678 IonicContact OD2-CD2 2.72Å; D157-H678 PolarHBondContact OD2-CD2 2.92Å; D157-H678 IonicContact OD2-NE2 3.61Å; D157-H678 PolarHBondContact OD2-NE2 3.14Å
158S88.6Confident84.6Confident35 Ų3553.9 Ų53.925%0.24528%0.28CS..G310 helixtrans-55.7-18.5177.367.80000114.2F156 C160 I161F156-S158 PolarHBondContact O-N 3.43Å; S158-C160 PolarHBondContact O-N 2.87Å; S158-I161 WeakPolarHBondContact O-CB 3.3Å; S158-I161 WeakPolarHBondContact O-CG1 3.44Å; S158-I161 PolarHBondContact O-N 3.38Å; S158-I161 VanDerWaalsContact O-N 3.09Å
159N91.7Very high85.2Confident12 Ų1255.3 Ų55.36%0.06429%0.291CS..G310 helixtrans-62-20.7171.5-69.2-31.4000111.9R120 D157 I161 T162 F671 S675R120-N159 WeakPolarHBondContact CG-OD1 3.48Å; D157-N159 PolarHBondContact O-N 2.86Å; D157-N159 WeakPolarHBondContact OD1-CB 3.38Å; D157-N159 PolarHBondContact OD1-N 2.67Å; D157-N159 PolarHBondContact OD1-ND2 2.92Å; N159-I161 PolarHBondContact O-N 3.11Å; N159-I161 VanDerWaalsContact O-N 3.12Å; N159-T162 PolarHBondContact O-OG1 3.26Å; N159-F671 HydrophobicContact CB-CD1 4.09Å; N159-F671 HydrophobicContact CB-CE1 3.62Å; N159-F671 HydrophobicContact CB-CZ 4.43Å; N159-F671 WeakPolarHBondContact O-CE1 3.4Å; N159-F671 VanDerWaalsContact O-CZ 3.27Å; N159-F671 WeakPolarHBondContact O-CZ 3.44Å; N159-S675 PolarHBondContact ND2-OG 2.71Å
160C93Very high85.9Confident6 Ų658.1 Ų58.14%0.04130%0.296CS..G310 helixtrans-61.8-18.2173.784.20000113.4F156 D157 S158 T162 T165 F167 H678F156-C160 VanDerWaalsContact CE2-SG 3.56Å; F156-C160 WeakPolarHBondContact CZ-SG 3.36Å; D157-C160 VanDerWaalsContact O-CB 3.27Å; D157-C160 WeakPolarHBondContact O-CB 3.28Å; D157-C160 PolarHBondContact O-N 3.47Å; D157-C160 PolarHBondContact O-SG 3.28Å; S158-C160 PolarHBondContact O-N 2.87Å; C160-T162 PolarHBondContact O-N 3.3Å; C160-T165 WeakPolarHBondContact O-CB 3.45Å; C160-T165 WeakPolarHBondContact O-CG2 3.36Å; C160-T165 PolarHBondContact O-OG1 3.29Å; C160-F167 HydrophobicContact CB-CB 4.25Å; C160-H678 VanDerWaalsContact CB-CE1 3.49Å; C160-H678 WeakPolarHBondContact CB-CE1 3.44Å
161I93.8Very high86.7Confident7 Ų753 Ų534%0.03626%0.263CS..SBendtrans-76.867.5173.4-50.5164.7000109I61 F156 S158 N159 F167 M168I61-I161 HydrophobicContact CG2-CD1 3.94Å; I61-I161 HydrophobicContact CG2-CG1 3.99Å; I61-I161 HydrophobicContact CG2-CG2 3.88Å; F156-I161 HydrophobicContact CE1-CD1 4.25Å; F156-I161 HydrophobicContact CE1-CG1 4.49Å; F156-I161 HydrophobicContact CZ-CG1 4.49Å; S158-I161 WeakPolarHBondContact O-CB 3.3Å; S158-I161 WeakPolarHBondContact O-CG1 3.44Å; S158-I161 PolarHBondContact O-N 3.38Å; S158-I161 VanDerWaalsContact O-N 3.09Å; N159-I161 PolarHBondContact O-N 3.11Å; N159-I161 VanDerWaalsContact O-N 3.12Å; I161-F167 HydrophobicContact CG1-CE1 4.15Å; I161-M168 HydrophobicContact CG2-CE 4.25Å; I161-M168 HydrophobicContact CG2-SD 4.27Å
162T95.2Very high87.6Confident0 Ų049.1 Ų49.10%024%0.238CC..SBendtrans-147.8139.2-177.4-53.50000111.4R120 N159 C160 G164 T165 M168 L667 V670R120-T162 VanDerWaalsContact CZ-OG1 3.26Å; R120-T162 PolarHBondContact NH1-OG1 2.68Å; R120-T162 PolarHBondContact NH2-OG1 3.1Å; N159-T162 PolarHBondContact O-OG1 3.26Å; C160-T162 PolarHBondContact O-N 3.3Å; T162-G164 PolarHBondContact O-N 2.94Å; T162-T165 WeakPolarHBondContact O-CG2 3.47Å; T162-T165 PolarHBondContact O-N 2.87Å; T162-T165 VanDerWaalsContact O-N 3.15Å; T162-T165 PolarHBondContact O-OG1 2.7Å; T162-M168 WeakPolarHBondContact O-CG 3.4Å; T162-L667 HydrophobicContact CG2-CD2 3.31Å; T162-V670 HydrophobicContact CG2-CG2 4.47Å
163P96.7Very high88.9Confident3 Ų345.1 Ų45.12%0.01923%0.226CC..THydrogen-bonded Turntrans-42.9130168.5-29.631000113.3D105 G106 V107 A199 L667D105-P163 WeakPolarHBondContact O-CG 3.44Å; G106-P163 WeakPolarHBondContact O-CG 3.25Å; V107-P163 HydrophobicContact CG2-CB 4.16Å; P163-A199 HydrophobicContact CB-CB 4.36Å; P163-A199 HydrophobicContact CG-CB 4.38Å; P163-L667 WeakPolarHBondContact O-CD2 3.19Å
164G95.5Very high90.6Very high2 Ų237 Ų372%0.02119%0.188CC..THydrogen-bonded Turntrans81.812.4178.300000115.1T162 P663 L664 L667 R745T162-G164 PolarHBondContact O-N 2.94Å; G164-P663 VanDerWaalsContact CA-CB 3.49Å; G164-L664 VanDerWaalsContact O-CD2 3.3Å; G164-L664 WeakPolarHBondContact O-CD2 3.43Å; G164-L667 WeakPolarHBondContact O-CD1 3.42Å; G164-R745 PolarHBondContact O-NH1 3.5Å; G164-R745 PolarHBondContact O-NH2 2.84Å
165T96.5Very high92.3Very high1 Ų127.5 Ų27.51%0.00614%0.144CC..SBendtrans-88.5158.7164.268.20000111.8C160 T162 F167 M168 S169 L667 F671 H678 R745C160-T165 WeakPolarHBondContact O-CB 3.45Å; C160-T165 WeakPolarHBondContact O-CG2 3.36Å; C160-T165 PolarHBondContact O-OG1 3.29Å; T162-T165 WeakPolarHBondContact O-CG2 3.47Å; T162-T165 PolarHBondContact O-N 2.87Å; T162-T165 VanDerWaalsContact O-N 3.15Å; T162-T165 PolarHBondContact O-OG1 2.7Å; T165-F167 VanDerWaalsContact C-N 3.28Å; T165-F167 PolarHBondContact O-N 3.25Å; T165-M168 PolarHBondContact O-N 3.33Å; T165-M168 WeakPolarHBondContact OG1-CG 3.37Å; T165-M168 PolarHBondContact OG1-N 3.43Å; T165-S169 PolarHBondContact O-N 3.05Å; T165-L667 HydrophobicContact CG2-CD1 4.17Å; T165-L667 HydrophobicContact CG2-CD2 3.99Å; T165-F671 HydrophobicContact CG2-CE2 4.41Å; T165-F671 HydrophobicContact CG2-CZ 4Å; T165-H678 HydrophobicContact CG2-CB 4.08Å; T165-R745 PolarHBondContact O-NH1 2.66Å; T165-R745 VanDerWaalsContact O-NH1 3.16Å
166P95.4Very high93.6Very high36 Ų3622.2 Ų22.223%0.23412%0.117CC..Hα-helixtrans-61.8-34.5174.1-2536000113.1S169 R170P166-S169 WeakPolarHBondContact O-CB 3.19Å; P166-S169 PolarHBondContact O-N 2.73Å; P166-R170 VanDerWaalsContact CB-NH1 3.33Å; P166-R170 PolarHBondContact O-N 3.5Å; P166-R170 VanDerWaalsContact O-N 3.09Å
167F95Very high94.3Very high3 Ų320.4 Ų20.41%0.01311%0.113CC..Hα-helixtrans-57-49.9175.8173.6-95.8000111.8I61 T65 E76 M79 F80 F156 C160 I161 T165 S169 R170 L171I61-F167 HydrophobicContact CG2-CE1 4.19Å; I61-F167 HydrophobicContact CG2-CZ 4.37Å; T65-F167 HydrophobicContact CG2-CZ 4.16Å; E76-F167 HydrophobicContact CG-CD2 4.15Å; E76-F167 HydrophobicContact CG-CE2 4.35Å; M79-F167 HydrophobicContact SD-CE2 4.37Å; F80-F167 HydrophobicContact CE1-CD2 4.37Å; F80-F167 AromaticContact CE1-CE2 3.74Å; F80-F167 HydrophobicContact CE1-CE2 3.74Å; F80-F167 HydrophobicContact CE1-CZ 4.01Å; F80-F167 HydrophobicContact CZ-CD2 4.44Å; F80-F167 HydrophobicContact CZ-CE2 4.21Å; F156-F167 HydrophobicContact CE2-CE2 4.3Å; F156-F167 HydrophobicContact CZ-CE2 4.24Å; F156-F167 HydrophobicContact CZ-CZ 4.35Å; C160-F167 HydrophobicContact CB-CB 4.25Å; I161-F167 HydrophobicContact CG1-CE1 4.15Å; T165-F167 VanDerWaalsContact C-N 3.28Å; T165-F167 PolarHBondContact O-N 3.25Å; F167-S169 VanDerWaalsContact C-N 3.31Å; F167-S169 PolarHBondContact O-N 2.99Å; F167-R170 PolarHBondContact O-N 3.18Å; F167-L171 HydrophobicContact CE1-CD2 4.23Å; F167-L171 WeakPolarHBondContact O-CB 3.29Å; F167-L171 PolarHBondContact O-N 2.86Å
168M96.2Very high94.8Very high5 Ų518.6 Ų18.63%0.02510%0.103CC..Hα-helixtrans-66.4-32.6-178.7-64-60.5-97.600112.7I104 I161 T162 T165 L171 A172 A199I104-M168 HydrophobicContact CG2-CE 3.28Å; I161-M168 HydrophobicContact CG2-CE 4.25Å; I161-M168 HydrophobicContact CG2-SD 4.27Å; T162-M168 WeakPolarHBondContact O-CG 3.4Å; T165-M168 PolarHBondContact O-N 3.33Å; T165-M168 WeakPolarHBondContact OG1-CG 3.37Å; T165-M168 PolarHBondContact OG1-N 3.43Å; M168-L171 HydrophobicContact SD-CD2 4.08Å; M168-A172 WeakPolarHBondContact O-CB 3.46Å; M168-A172 PolarHBondContact O-N 3.44Å; M168-A199 HydrophobicContact CB-CB 4.19Å; M168-A199 HydrophobicContact CE-CB 4.12Å
169S94.4Very high95.2Very high44 Ų4416.9 Ų16.931%0.3089%0.091SC..Hα-helixtrans-62.8-48.2172.5-1760000111.4T165 P166 F167 A172 V173T165-S169 PolarHBondContact O-N 3.05Å; P166-S169 WeakPolarHBondContact O-CB 3.19Å; P166-S169 PolarHBondContact O-N 2.73Å; F167-S169 VanDerWaalsContact C-N 3.31Å; F167-S169 PolarHBondContact O-N 2.99Å; S169-A172 PolarHBondContact O-N 3.31Å; S169-V173 WeakPolarHBondContact O-CG2 3.3Å; S169-V173 PolarHBondContact O-N 2.83Å; S169-V173 VanDerWaalsContact O-N 3.13Å
170R95.1Very high95.4Very high105 Ų10516.5 Ų16.540%0.3969%0.089SC..Hα-helixtrans-63.9-42.2176.6-70.5-171.9-67.1-89.55.1112.3E76 F80 P166 F167 A172 V173 A174E76-R170 IonicContact OE1-CZ 2.68Å; E76-R170 IonicContact OE1-NE 3.46Å; E76-R170 IonicContact OE1-NH2 2.76Å; E76-R170 PolarHBondContact OE1-NH2 3.29Å; E76-R170 IonicContact OE2-CZ 2.75Å; E76-R170 IonicContact OE2-NE 2.64Å; E76-R170 PolarHBondContact OE2-NE 3.36Å; E76-R170 IonicContact OE2-NH2 2.69Å; E76-R170 PolarHBondContact OE2-NH2 3.31Å; F80-R170 HydrophobicContact CE2-CB 4.27Å; F80-R170 HydrophobicContact CZ-CB 4.11Å; P166-R170 VanDerWaalsContact CB-NH1 3.33Å; P166-R170 PolarHBondContact O-N 3.5Å; P166-R170 VanDerWaalsContact O-N 3.09Å; F167-R170 PolarHBondContact O-N 3.18Å; R170-A172 VanDerWaalsContact C-N 3.33Å; R170-A172 PolarHBondContact O-N 3.16Å; R170-V173 WeakPolarHBondContact O-CB 3.46Å; R170-V173 PolarHBondContact O-N 3.36Å; R170-A174 WeakPolarHBondContact O-CB 3.01Å; R170-A174 PolarHBondContact O-N 3.49Å
171L95.8Very high95.5Very high0 Ų016.6 Ų16.60%09%0.089CC..Hα-helixtrans-58.5-42.6174.5177.361.3000111.8I61 F80 I83 F167 M168 V173 A174 L175I61-L171 HydrophobicContact CD1-CD2 3.54Å; I61-L171 HydrophobicContact CG1-CD2 3.91Å; F80-L171 HydrophobicContact CD1-CD1 3.64Å; F80-L171 HydrophobicContact CE1-CB 3.78Å; F80-L171 HydrophobicContact CE1-CD1 3.75Å; F80-L171 HydrophobicContact CE1-CG 4.31Å; F80-L171 HydrophobicContact CZ-CB 4.2Å; I83-L171 HydrophobicContact CD1-CD1 3.92Å; F167-L171 HydrophobicContact CE1-CD2 4.23Å; F167-L171 WeakPolarHBondContact O-CB 3.29Å; F167-L171 PolarHBondContact O-N 2.86Å; M168-L171 HydrophobicContact SD-CD2 4.08Å; L171-V173 PolarHBondContact O-N 2.97Å; L171-A174 PolarHBondContact O-N 3.37Å; L171-L175 HydrophobicContact CD1-CD1 3.93Å; L171-L175 HydrophobicContact CD1-CG 4.04Å; L171-L175 HydrophobicContact CG-CD1 3.87Å; L171-L175 HydrophobicContact CG-CG 4.42Å; L171-L175 WeakPolarHBondContact O-CG 3.41Å; L171-L175 PolarHBondContact O-N 3.46Å
172A95.2Very high95.5Very high5 Ų519 Ų194%0.04110%0.098CC..Hα-helixtrans-63.4-41176.400000112M168 S169 R170 A174 R176 D198M168-A172 WeakPolarHBondContact O-CB 3.46Å; M168-A172 PolarHBondContact O-N 3.44Å; S169-A172 PolarHBondContact O-N 3.31Å; R170-A172 VanDerWaalsContact C-N 3.33Å; R170-A172 PolarHBondContact O-N 3.16Å; A172-A174 VanDerWaalsContact C-N 3.32Å; A172-A174 PolarHBondContact O-N 3.09Å; A172-R176 WeakPolarHBondContact O-CG 3.48Å; A172-R176 PolarHBondContact O-N 3.22Å; A172-R176 VanDerWaalsContact O-N 3.16Å; A172-R176 PolarHBondContact O-NH1 3.03Å; A172-D198 HydrophobicContact CB-CB 3.94Å
173V94.4Very high95.6Very high64 Ų6419 Ų1939%0.38810%0.098SC..Hα-helixtrans-60.9-43172.2-178.60000110.7S169 R170 L171 R176 G177 A821S169-V173 WeakPolarHBondContact O-CG2 3.3Å; S169-V173 PolarHBondContact O-N 2.83Å; S169-V173 VanDerWaalsContact O-N 3.13Å; R170-V173 WeakPolarHBondContact O-CB 3.46Å; R170-V173 PolarHBondContact O-N 3.36Å; L171-V173 PolarHBondContact O-N 2.97Å; V173-R176 PolarHBondContact O-N 3.12Å; V173-G177 PolarHBondContact O-N 3.39Å; V173-G177 VanDerWaalsContact O-N 3.17Å; V173-A821 HydrophobicContact CG1-CB 3.95Å
174A95.8Very high95.5Very high2 Ų219.9 Ų19.92%0.01710%0.103CC..Hα-helixtrans-65.4-45.4-178.800000112.8F80 F84 R170 L171 A172 R176 G177 Y178 A821 V822F80-A174 HydrophobicContact CD2-CB 3.96Å; F80-A174 HydrophobicContact CE2-CB 4.37Å; F80-A174 HydrophobicContact CG-CB 4.19Å; F84-A174 HydrophobicContact CZ-CB 3.9Å; F84-A174 WeakPolarHBondContact CZ-O 3.3Å; R170-A174 WeakPolarHBondContact O-CB 3.01Å; R170-A174 PolarHBondContact O-N 3.49Å; L171-A174 PolarHBondContact O-N 3.37Å; A172-A174 VanDerWaalsContact C-N 3.32Å; A172-A174 PolarHBondContact O-N 3.09Å; A174-R176 VanDerWaalsContact C-N 3.34Å; A174-R176 PolarHBondContact O-N 2.89Å; A174-G177 PolarHBondContact O-N 2.92Å; A174-Y178 PolarHBondContact O-N 3.17Å; A174-A821 HydrophobicContact CB-CB 3.97Å; A174-V822 HydrophobicContact CB-CG2 4.03Å
175L96.7Very high95.3Very high0 Ų025.5 Ų25.50%013%0.127CC..Hα-helixtrans-62.9-37.7176.1-71.5165.9000112.2M57 I83 F84 I87 M102 I104 L171 Y178 I179 L196M57-L175 HydrophobicContact CE-CD1 4.31Å; M57-L175 HydrophobicContact CE-CD2 4.11Å; I83-L175 HydrophobicContact CG2-CD2 4.32Å; F84-L175 HydrophobicContact CD1-CD2 4.35Å; F84-L175 HydrophobicContact CE1-CD2 3.98Å; F84-L175 HydrophobicContact CE1-CG 4.49Å; I87-L175 HydrophobicContact CD1-CD2 3.83Å; M102-L175 HydrophobicContact CE-CD2 3.8Å; I104-L175 HydrophobicContact CD1-CD1 3.61Å; I104-L175 HydrophobicContact CG1-CD1 4.42Å; L171-L175 HydrophobicContact CD1-CD1 3.93Å; L171-L175 HydrophobicContact CD1-CG 4.04Å; L171-L175 HydrophobicContact CG-CD1 3.87Å; L171-L175 HydrophobicContact CG-CG 4.42Å; L171-L175 WeakPolarHBondContact O-CG 3.41Å; L171-L175 PolarHBondContact O-N 3.46Å; L175-Y178 PolarHBondContact O-N 2.6Å; L175-I179 VanDerWaalsContact O-CG1 3.26Å; L175-I179 WeakPolarHBondContact O-CG1 3.38Å; L175-I179 PolarHBondContact O-N 3.49Å; L175-L196 HydrophobicContact CB-CD1 4.26Å; L175-L196 HydrophobicContact CB-CD2 4.28Å; L175-L196 HydrophobicContact CD1-CD1 4.28Å
176R95.6Very high95.2Very high45 Ų4527.1 Ų27.117%0.1714%0.136CC..Hα-helixtrans-59.5-49.1172.1-69.2-169.2-61.2-9111.1111.6A172 V173 A174 Y178 I179 Y180 L196 F754A172-R176 WeakPolarHBondContact O-CG 3.48Å; A172-R176 PolarHBondContact O-N 3.22Å; A172-R176 VanDerWaalsContact O-N 3.16Å; A172-R176 PolarHBondContact O-NH1 3.03Å; V173-R176 PolarHBondContact O-N 3.12Å; A174-R176 VanDerWaalsContact C-N 3.34Å; A174-R176 PolarHBondContact O-N 2.89Å; R176-Y178 VanDerWaalsContact C-N 3.31Å; R176-Y178 PolarHBondContact O-N 3.14Å; R176-I179 PolarHBondContact O-N 3.47Å; R176-Y180 WeakPolarHBondContact O-CD2 3.41Å; R176-Y180 PolarHBondContact O-N 3.1Å; R176-L196 HydrophobicContact CG-CD2 3.6Å; R176-F754 HydrophobicContact CB-CZ 4.46Å; R176-F754 HydrophobicContact CG-CZ 3.9Å
177G94.8Very high95.1Very high12 Ų1229.6 Ų29.612%0.12415%0.152CC..Hα-helixtrans-60-38.7177.500000113.4V173 A174 T181V173-G177 PolarHBondContact O-N 3.39Å; V173-G177 VanDerWaalsContact O-N 3.17Å; A174-G177 PolarHBondContact O-N 2.92Å; G177-T181 WeakPolarHBondContact O-CB 3.4Å; G177-T181 PolarHBondContact O-N 3.16Å; G177-T181 PolarHBondContact O-OG1 2.99Å
178Y95.5Very high95Very high3 Ų329.9 Ų29.91%0.01216%0.156CC..Hα-helixtrans-62.2-48.6172.6165.8-97.2000112.2F84 I87 D88 M102 A174 L175 R176 Y180 T181 R182 W189F84-Y178 HydrophobicContact CB-CD2 3.68Å; F84-Y178 HydrophobicContact CB-CE2 3.74Å; F84-Y178 HydrophobicContact CD1-CD1 4.27Å; F84-Y178 AromaticContact CD1-CD2 3.61Å; F84-Y178 HydrophobicContact CD1-CD2 3.61Å; F84-Y178 HydrophobicContact CD1-CE2 4.25Å; F84-Y178 AromaticContact CD1-CG 3.63Å; F84-Y178 HydrophobicContact CD1-CG 3.63Å; F84-Y178 HydrophobicContact CD2-CD2 4.09Å; F84-Y178 HydrophobicContact CE1-CD2 4.27Å; F84-Y178 AromaticContact CE1-CG 3.91Å; F84-Y178 HydrophobicContact CE1-CG 3.91Å; F84-Y178 AromaticContact CG-CD2 3.51Å; F84-Y178 HydrophobicContact CG-CD2 3.51Å; F84-Y178 HydrophobicContact CG-CE2 4.09Å; F84-Y178 HydrophobicContact CG-CG 4.02Å; F84-Y178 HydrophobicContact CZ-CG 4.49Å; I87-Y178 HydrophobicContact CB-CE1 4.33Å; I87-Y178 WeakPolarHBondContact CB-OH 3.49Å; I87-Y178 HydrophobicContact CD1-CD1 4.44Å; I87-Y178 HydrophobicContact CD1-CE1 3.93Å; I87-Y178 HydrophobicContact CG2-CE1 3.94Å; I87-Y178 WeakPolarHBondContact CG2-OH 3.35Å; D88-Y178 PolarHBondContact OD1-OH 2.97Å; M102-Y178 HydrophobicContact CE-CE1 4.5Å; A174-Y178 PolarHBondContact O-N 3.17Å; L175-Y178 PolarHBondContact O-N 2.6Å; R176-Y178 VanDerWaalsContact C-N 3.31Å; R176-Y178 PolarHBondContact O-N 3.14Å; Y178-Y180 PolarHBondContact O-N 2.81Å; Y178-T181 WeakPolarHBondContact O-CB 3.36Å; Y178-T181 PolarHBondContact O-N 3.28Å; Y178-T181 VanDerWaalsContact O-N 3.1Å; Y178-R182 HydrophobicContact CD2-CG 4.09Å; Y178-R182 HydrophobicContact CE1-CG 4.25Å; Y178-R182 HydrophobicContact CE2-CG 3.68Å; Y178-R182 PolarHBondContact O-N 2.86Å; Y178-W189 AromaticContact CE1-CH2 3.7Å; Y178-W189 HydrophobicContact CE1-CH2 3.7Å; Y178-W189 HydrophobicContact CE1-CZ2 4.14Å
179I96.8Very high95.1Very high0 Ų029.7 Ų29.70%016%0.155CC..Hα-helixtrans-60.1-47.3178.1-67.4163.4000111.3M102 L175 R176 T181 R182 L183 W189 V194 L196 F754M102-I179 HydrophobicContact SD-CD1 4.01Å; M102-I179 HydrophobicContact SD-CG1 4.17Å; L175-I179 VanDerWaalsContact O-CG1 3.26Å; L175-I179 WeakPolarHBondContact O-CG1 3.38Å; L175-I179 PolarHBondContact O-N 3.49Å; R176-I179 PolarHBondContact O-N 3.47Å; I179-T181 VanDerWaalsContact C-N 3.26Å; I179-T181 PolarHBondContact O-N 3.19Å; I179-R182 PolarHBondContact O-N 3.02Å; I179-L183 HydrophobicContact CG2-CD1 3.72Å; I179-L183 HydrophobicContact CG2-CG 4.32Å; I179-L183 WeakPolarHBondContact O-CB 3.2Å; I179-L183 WeakPolarHBondContact O-CG 3.41Å; I179-L183 PolarHBondContact O-N 3.16Å; I179-W189 HydrophobicContact CG1-CZ3 4.45Å; I179-V194 HydrophobicContact CD1-CG1 3.99Å; I179-V194 HydrophobicContact CG1-CG1 4.05Å; I179-V194 HydrophobicContact CG2-CB 4.12Å; I179-V194 HydrophobicContact CG2-CG1 3.92Å; I179-L196 HydrophobicContact CD1-CB 4.04Å; I179-L196 HydrophobicContact CD1-CD2 4.29Å; I179-F754 HydrophobicContact CD1-CD2 4.4Å; I179-F754 HydrophobicContact CD1-CE2 4.27Å; I179-F754 HydrophobicContact CG2-CB 3.8Å; I179-F754 HydrophobicContact CG2-CD1 3.84Å; I179-F754 HydrophobicContact CG2-CD2 4.08Å; I179-F754 HydrophobicContact CG2-CE1 4.47Å; I179-F754 HydrophobicContact CG2-CG 3.65Å
180Y96.1Very high95Very high4 Ų431.6 Ų31.62%0.01616%0.158CC..Hα-helixtrans-56-42.4174-82.1-70.7000111.9R176 Y178 T184 F754 T811 Y812 V818 L829 S832 A834 S836R176-Y180 WeakPolarHBondContact O-CD2 3.41Å; R176-Y180 PolarHBondContact O-N 3.1Å; Y178-Y180 PolarHBondContact O-N 2.81Å; Y180-T184 VanDerWaalsContact O-CB 3.3Å; Y180-T184 WeakPolarHBondContact O-CB 3.35Å; Y180-T184 PolarHBondContact O-N 3.29Å; Y180-T184 VanDerWaalsContact O-N 3.17Å; Y180-T184 PolarHBondContact O-OG1 3.1Å; Y180-F754 HydrophobicContact CD2-CE1 4.34Å; Y180-F754 HydrophobicContact CE2-CD1 4.32Å; Y180-F754 AromaticContact CE2-CE1 3.77Å; Y180-F754 HydrophobicContact CE2-CE1 3.77Å; Y180-T811 PolarHBondContact OH-OG1 3.4Å; Y180-Y812 HydrophobicContact CD2-CD2 4.25Å; Y180-Y812 WeakPolarHBondContact CE1-O 3.37Å; Y180-Y812 AromaticContact CE2-CD2 3.71Å; Y180-Y812 HydrophobicContact CE2-CD2 3.71Å; Y180-Y812 PolarHBondContact OH-N 3.15Å; Y180-V818 HydrophobicContact CD1-CG2 4.3Å; Y180-V818 HydrophobicContact CD2-CG1 4.25Å; Y180-V818 HydrophobicContact CD2-CG2 4.42Å; Y180-V818 HydrophobicContact CG-CG2 4.06Å; Y180-L829 WeakPolarHBondContact O-CD2 3.33Å; Y180-S832 WeakPolarHBondContact CD1-OG 3.46Å; Y180-A834 HydrophobicContact CD1-CB 3.96Å; Y180-A834 HydrophobicContact CE1-CB 4.34Å; Y180-S836 WeakPolarHBondContact OH-CB 3.33Å
181T94.7Very high95Very high8 Ų831.2 Ų31.25%0.04916%0.163CC..Hα-helixtrans-67.2-44.8-179.6-610000111.9G177 Y178 I179 T184 K185G177-T181 WeakPolarHBondContact O-CB 3.4Å; G177-T181 PolarHBondContact O-N 3.16Å; G177-T181 PolarHBondContact O-OG1 2.99Å; Y178-T181 WeakPolarHBondContact O-CB 3.36Å; Y178-T181 PolarHBondContact O-N 3.28Å; Y178-T181 VanDerWaalsContact O-N 3.1Å; I179-T181 VanDerWaalsContact C-N 3.26Å; I179-T181 PolarHBondContact O-N 3.19Å; T181-T184 PolarHBondContact O-N 3.01Å; T181-K185 HydrophobicContact CG2-CD 3.86Å; T181-K185 WeakPolarHBondContact O-CB 3.1Å; T181-K185 WeakPolarHBondContact O-CG 3.39Å; T181-K185 PolarHBondContact O-N 3.38Å
182R95.3Very high95.1Very high56 Ų5631.3 Ų31.321%0.21116%0.164CC..Hα-helixtrans-69.6-48.9179.7-68-69.8174.6-813.5112D88 Y178 I179 T184 K185 D186 W189D88-R182 IonicContact OD1-CZ 3.57Å; D88-R182 IonicContact OD1-NE 3.87Å; D88-R182 PolarHBondContact OD1-NE 3.22Å; D88-R182 IonicContact OD1-NH2 3.3Å; D88-R182 IonicContact OD2-CZ 3.13Å; D88-R182 IonicContact OD2-NE 3.91Å; D88-R182 PolarHBondContact OD2-NE 3.31Å; D88-R182 IonicContact OD2-NH2 2.9Å; D88-R182 PolarHBondContact OD2-NH2 3.31Å; Y178-R182 HydrophobicContact CD2-CG 4.09Å; Y178-R182 HydrophobicContact CE1-CG 4.25Å; Y178-R182 HydrophobicContact CE2-CG 3.68Å; Y178-R182 PolarHBondContact O-N 2.86Å; I179-R182 PolarHBondContact O-N 3.02Å; R182-T184 PolarHBondContact O-N 3Å; R182-T184 VanDerWaalsContact O-N 3.14Å; R182-K185 PolarHBondContact O-N 3.29Å; R182-D186 VanDerWaalsContact O-CB 3.32Å; R182-D186 WeakPolarHBondContact O-CB 3.44Å; R182-D186 PolarHBondContact O-N 2.86Å; R182-W189 HydrophobicContact CB-CD2 3.45Å; R182-W189 VanDerWaalsContact CB-CD2 3.45Å; R182-W189 HydrophobicContact CB-CE3 3.56Å; R182-W189 HydrophobicContact CB-CG 3.98Å; R182-W189 HydrophobicContact CB-CH2 3.96Å; R182-W189 HydrophobicContact CB-CZ2 3.87Å; R182-W189 HydrophobicContact CB-CZ3 3.81Å; R182-W189 HydrophobicContact CG-CD2 4.35Å; R182-W189 HydrophobicContact CG-CH2 4.16Å; R182-W189 HydrophobicContact CG-CZ2 3.9Å; R182-W189 HydrophobicContact CG-CZ3 4.49Å
183L95.9Very high95.2Very high0 Ų031.1 Ų31.10%016%0.162CC..Hα-helixtrans-56.1-32.8174.6-75.5170.9000113I179 W189 V194 F754 R756 A834I179-L183 HydrophobicContact CG2-CD1 3.72Å; I179-L183 HydrophobicContact CG2-CG 4.32Å; I179-L183 WeakPolarHBondContact O-CB 3.2Å; I179-L183 WeakPolarHBondContact O-CG 3.41Å; I179-L183 PolarHBondContact O-N 3.16Å; L183-W189 HydrophobicContact CD2-CB 4.35Å; L183-W189 HydrophobicContact CD2-CE3 4.32Å; L183-W189 WeakPolarHBondContact CD2-O 3.4Å; L183-W189 HydrophobicContact CG-CE3 4.18Å; L183-V194 HydrophobicContact CD1-CG2 4.4Å; L183-V194 HydrophobicContact CD2-CG2 4.02Å; L183-V194 HydrophobicContact CG-CG2 4.34Å; L183-F754 HydrophobicContact CD1-CB 3.63Å; L183-R756 HydrophobicContact CB-CG 4.16Å; L183-R756 HydrophobicContact CD2-CG 4.35Å; L183-R756 WeakPolarHBondContact O-CD 3.38Å; L183-R756 VanDerWaalsContact O-CG 3.25Å; L183-R756 WeakPolarHBondContact O-CG 3.28Å; L183-R756 PolarHBondContact O-NH1 2.92Å; L183-A834 HydrophobicContact CB-CB 3.88Å; L183-A834 HydrophobicContact CD1-CB 3.8Å
184T94.8Very high95.4Very high23 Ų2328 Ų2814%0.14114%0.144CC..Hα-helixtrans-81.9-38.4179.4-56.30000112.9Y180 T181 R182 R756 L829 E833Y180-T184 VanDerWaalsContact O-CB 3.3Å; Y180-T184 WeakPolarHBondContact O-CB 3.35Å; Y180-T184 PolarHBondContact O-N 3.29Å; Y180-T184 VanDerWaalsContact O-N 3.17Å; Y180-T184 PolarHBondContact O-OG1 3.1Å; T181-T184 PolarHBondContact O-N 3.01Å; R182-T184 PolarHBondContact O-N 3Å; R182-T184 VanDerWaalsContact O-N 3.14Å; T184-R756 PolarHBondContact O-NH1 3.37Å; T184-L829 HydrophobicContact CG2-CD1 4.01Å; T184-L829 HydrophobicContact CG2-CD2 4.47Å; T184-E833 HydrophobicContact CG2-CB 4.02Å; T184-E833 HydrophobicContact CG2-CG 3.91Å; T184-E833 PolarHBondContact OG1-N 3.03Å; T184-E833 VanDerWaalsContact OG1-N 3.12Å
185K92.5Very high95.5Very high119 Ų11928 Ų2852%0.51714%0.143SC..Hα-helixtrans-105.1-26.8-169.7-62.9-179.9-176.3167.80115.6T181 R182 L829T181-K185 HydrophobicContact CG2-CD 3.86Å; T181-K185 WeakPolarHBondContact O-CB 3.1Å; T181-K185 WeakPolarHBondContact O-CG 3.39Å; T181-K185 PolarHBondContact O-N 3.38Å; R182-K185 PolarHBondContact O-N 3.29Å; K185-L829 HydrophobicContact CG-CD1 4.43Å
186D92.9Very high95.6Very high35 Ų3528 Ų2819%0.18714%0.143CC..  trans-96.1119.4-172.4-170.1-46000111.1T40 R182 G188 W189T40-D186 PolarHBondContact OG1-OD1 3.18Å; R182-D186 VanDerWaalsContact O-CB 3.32Å; R182-D186 WeakPolarHBondContact O-CB 3.44Å; R182-D186 PolarHBondContact O-N 2.86Å; D186-G188 VanDerWaalsContact C-N 3.3Å; D186-G188 PolarHBondContact O-N 3.39Å; D186-G188 WeakPolarHBondContact OD1-CA 3.31Å; D186-G188 PolarHBondContact OD1-N 2.82Å; D186-W189 HydrophobicContact CB-CB 4.21Å; D186-W189 HydrophobicContact CB-CG 4.1Å; D186-W189 PolarHBondContact O-N 2.88Å
187P93.2Very high95.7Very high88 Ų8825.8 Ų25.857%0.57114%0.135SC*.G310 helixtrans-60-33.5178.5-24.534.9000114.5W189 K190P187-W189 VanDerWaalsContact C-N 3.28Å; P187-W189 PolarHBondContact O-N 3.26Å; P187-K190 WeakPolarHBondContact O-CB 3.4Å; P187-K190 PolarHBondContact O-N 3.1Å
188G94.2Very high95.8Very high10 Ų1025.9 Ų25.910%0.10313%0.132CC..G310 helixtrans-70.5-24.9179.400000113.1T40 D186 K190T40-G188 WeakPolarHBondContact OG1-CA 3.45Å; D186-G188 VanDerWaalsContact C-N 3.3Å; D186-G188 PolarHBondContact O-N 3.39Å; D186-G188 WeakPolarHBondContact OD1-CA 3.31Å; D186-G188 PolarHBondContact OD1-N 2.82Å; G188-K190 VanDerWaalsContact C-N 3.3Å
189W96.8Very high95.9Very high0 Ų025.9 Ų25.90%013%0.133CC..G310 helixtrans-81-10.3174.9-73.260.4000113.1F91 L100 Y178 I179 R182 L183 D186 P187 N191 L192 V194F91-W189 AromaticContact CD1-NE1 3.56Å; F91-W189 AromaticContact CD2-CE2 3.91Å; F91-W189 HydrophobicContact CD2-CZ2 4.1Å; F91-W189 AromaticContact CD2-NE1 3.67Å; F91-W189 AromaticContact CE1-CD1 3.44Å; F91-W189 VanDerWaalsContact CE1-CD1 3.44Å; F91-W189 HydrophobicContact CE1-CG 4.47Å; F91-W189 AromaticContact CE1-NE1 3.41Å; F91-W189 AromaticContact CE2-CD1 3.83Å; F91-W189 HydrophobicContact CE2-CD2 4.24Å; F91-W189 AromaticContact CE2-CE2 3.8Å; F91-W189 HydrophobicContact CE2-CG 4.27Å; F91-W189 HydrophobicContact CE2-CZ2 4.36Å; F91-W189 AromaticContact CE2-NE1 3.51Å; F91-W189 AromaticContact CG-NE1 3.7Å; F91-W189 AromaticContact CZ-CD1 3.31Å; F91-W189 HydrophobicContact CZ-CD2 4.41Å; F91-W189 AromaticContact CZ-CG 3.96Å; F91-W189 HydrophobicContact CZ-CG 3.96Å; F91-W189 AromaticContact CZ-NE1 3.39Å; L100-W189 HydrophobicContact CD2-CE3 4.5Å; L100-W189 HydrophobicContact CD2-CH2 3.32Å; L100-W189 HydrophobicContact CD2-CZ2 3.76Å; L100-W189 HydrophobicContact CD2-CZ3 3.76Å; Y178-W189 AromaticContact CE1-CH2 3.7Å; Y178-W189 HydrophobicContact CE1-CH2 3.7Å; Y178-W189 HydrophobicContact CE1-CZ2 4.14Å; I179-W189 HydrophobicContact CG1-CZ3 4.45Å; R182-W189 HydrophobicContact CB-CD2 3.45Å; R182-W189 VanDerWaalsContact CB-CD2 3.45Å; R182-W189 HydrophobicContact CB-CE3 3.56Å; R182-W189 HydrophobicContact CB-CG 3.98Å; R182-W189 HydrophobicContact CB-CH2 3.96Å; R182-W189 HydrophobicContact CB-CZ2 3.87Å; R182-W189 HydrophobicContact CB-CZ3 3.81Å; R182-W189 HydrophobicContact CG-CD2 4.35Å; R182-W189 HydrophobicContact CG-CH2 4.16Å; R182-W189 HydrophobicContact CG-CZ2 3.9Å; R182-W189 HydrophobicContact CG-CZ3 4.49Å; L183-W189 HydrophobicContact CD2-CB 4.35Å; L183-W189 HydrophobicContact CD2-CE3 4.32Å; L183-W189 WeakPolarHBondContact CD2-O 3.4Å; L183-W189 HydrophobicContact CG-CE3 4.18Å; D186-W189 HydrophobicContact CB-CB 4.21Å; D186-W189 HydrophobicContact CB-CG 4.1Å; D186-W189 PolarHBondContact O-N 2.88Å; P187-W189 VanDerWaalsContact C-N 3.28Å; P187-W189 PolarHBondContact O-N 3.26Å; W189-N191 VanDerWaalsContact C-N 3.33Å; W189-N191 PolarHBondContact O-N 2.63Å; W189-L192 PolarHBondContact O-N 2.8Å; W189-V194 HydrophobicContact CE3-CG2 3.82Å; W189-V194 HydrophobicContact CZ3-CG1 4.19Å; W189-V194 HydrophobicContact CZ3-CG2 3.81Å
190K93.8Very high95.8Very high84 Ų8427.3 Ų27.337%0.36514%0.141SC..THydrogen-bonded Turntrans-54.5-44.5-167.3-178.1173.4178.3161.40114P187 G188 R756 D758P187-K190 WeakPolarHBondContact O-CB 3.4Å; P187-K190 PolarHBondContact O-N 3.1Å; G188-K190 VanDerWaalsContact C-N 3.3Å; K190-R756 WeakPolarHBondContact O-CD 3.4Å; K190-D758 WeakPolarHBondContact CE-OD2 3.4Å; K190-D758 IonicContact NZ-OD2 2.83Å; K190-D758 PolarHBondContact NZ-OD2 2.68Å
191N94.3Very high95.8Very high97 Ų9728 Ų2852%0.51915%0.145SC..THydrogen-bonded Turntrans-100.217.7-172.5-62.1-28000113.1W189W189-N191 VanDerWaalsContact C-N 3.33Å; W189-N191 PolarHBondContact O-N 2.63Å
192L97.2Very high95.9Very high3 Ų328.8 Ų28.82%0.01615%0.151CC..  trans-96.5147.6-175-58.6-173.7000113.6F91 P96 W189 V194F91-L192 HydrophobicContact CE2-CD1 3.48Å; F91-L192 VanDerWaalsContact CE2-CD1 3.48Å; F91-L192 HydrophobicContact CZ-CD1 3.69Å; P96-L192 HydrophobicContact CG-CD1 4.21Å; P96-L192 WeakPolarHBondContact O-CD2 3.47Å; W189-L192 PolarHBondContact O-N 2.8Å; L192-V194 HydrophobicContact CB-CG2 4.32Å
193M97.8Very high96Very high0 Ų026.5 Ų26.50%014%0.144CC..EExtended strand (participates in β ladder)trans-94.3119.5157.2-65.4179.566.800108.4R98 V99 L100 F195 L753 I793 T798 F799R98-M193 PolarHBondContact O-N 3.05Å; V99-M193 WeakPolarHBondContact CA-O 3.26Å; L100-M193 PolarHBondContact N-O 3.09Å; M193-F195 HydrophobicContact CB-CE2 3.96Å; M193-F195 HydrophobicContact CE-CE2 4.38Å; M193-F195 HydrophobicContact CE-CZ 4.03Å; M193-L753 HydrophobicContact CB-CD1 3.98Å; M193-L753 HydrophobicContact CE-CD1 3.61Å; M193-L753 HydrophobicContact CE-CD2 3.79Å; M193-L753 HydrophobicContact CE-CG 4.36Å; M193-L753 HydrophobicContact CG-CD1 4.44Å; M193-I793 HydrophobicContact CE-CD1 4.42Å; M193-T798 HydrophobicContact CE-CG2 3.61Å; M193-T798 VanDerWaalsContact SD-CA 3.54Å; M193-T798 VanDerWaalsContact SD-CB 3.53Å; M193-T798 HydrophobicContact SD-CG2 3.81Å; M193-F799 HydrophobicContact SD-CD2 4.29Å
194V98.4Very high96Very high0 Ų026.6 Ų26.60%014%0.144CC..EExtended strand (participates in β ladder)trans-107.3127.8179.9-1740000108.8L100 M102 I179 L183 W189 L192 L753 F754L100-V194 HydrophobicContact CB-CG1 4.35Å; L100-V194 HydrophobicContact CB-CG2 4.33Å; L100-V194 HydrophobicContact CD2-CG1 4.2Å; L100-V194 HydrophobicContact CG-CG1 4.32Å; L100-V194 CarbonylContact O-C 3.59Å; L100-V194 VanDerWaalsContact O-CA 3.28Å; L100-V194 WeakPolarHBondContact O-CA 3.33Å; M102-V194 HydrophobicContact SD-CG1 4.41Å; I179-V194 HydrophobicContact CD1-CG1 3.99Å; I179-V194 HydrophobicContact CG1-CG1 4.05Å; I179-V194 HydrophobicContact CG2-CB 4.12Å; I179-V194 HydrophobicContact CG2-CG1 3.92Å; L183-V194 HydrophobicContact CD1-CG2 4.4Å; L183-V194 HydrophobicContact CD2-CG2 4.02Å; L183-V194 HydrophobicContact CG-CG2 4.34Å; W189-V194 HydrophobicContact CE3-CG2 3.82Å; W189-V194 HydrophobicContact CZ3-CG1 4.19Å; W189-V194 HydrophobicContact CZ3-CG2 3.81Å; L192-V194 HydrophobicContact CB-CG2 4.32Å; V194-L753 CarbonylContact O-C 3.52Å; V194-F754 HydrophobicContact CB-CB 4.31Å; V194-F754 PolarHBondContact N-O 2.81Å; V194-F754 PolarHBondContact O-N 3.42Å
195F98.4Very high96.1Very high0 Ų025.5 Ų25.50%014%0.138CC..EExtended strand (participates in β ladder)trans-111.2133176.4-65.1-102.3000109.2V99 L100 Y101 M102 M193 F212 Q752 L753 I801 F839V99-F195 HydrophobicContact CG1-CD2 3.78Å; V99-F195 HydrophobicContact CG1-CE2 3.92Å; V99-F195 HydrophobicContact CG2-CE2 4.49Å; L100-F195 PolarHBondContact O-N 2.9Å; Y101-F195 HydrophobicContact CD2-CB 3.36Å; Y101-F195 HydrophobicContact CD2-CD1 4.38Å; Y101-F195 HydrophobicContact CD2-CD2 4.23Å; Y101-F195 AromaticContact CD2-CG 3.77Å; Y101-F195 HydrophobicContact CD2-CG 3.77Å; Y101-F195 HydrophobicContact CE2-CB 3.74Å; Y101-F195 HydrophobicContact CE2-CD1 4.36Å; Y101-F195 HydrophobicContact CE2-CG 4.15Å; Y101-F195 HydrophobicContact CG-CB 4.02Å; M102-F195 PolarHBondContact N-O 2.86Å; M193-F195 HydrophobicContact CB-CE2 3.96Å; M193-F195 HydrophobicContact CE-CE2 4.38Å; M193-F195 HydrophobicContact CE-CZ 4.03Å; F195-F212 HydrophobicContact CD1-CE2 4.37Å; F195-F212 HydrophobicContact CE1-CE2 4.07Å; F195-F212 HydrophobicContact CE2-CE2 4.48Å; F195-F212 HydrophobicContact CE2-CZ 4.27Å; F195-F212 HydrophobicContact CZ-CE2 4.13Å; F195-F212 HydrophobicContact CZ-CZ 4.27Å; F195-Q752 CarbonylContact C-O 3.53Å; F195-Q752 WeakPolarHBondContact CA-O 3.42Å; F195-L753 HydrophobicContact CD1-CB 4.28Å; F195-L753 HydrophobicContact CD1-CD1 4.38Å; F195-L753 HydrophobicContact CD2-CD1 4.37Å; F195-L753 HydrophobicContact CE1-CB 4.15Å; F195-L753 HydrophobicContact CE1-CD1 3.95Å; F195-L753 HydrophobicContact CE1-CG 4.43Å; F195-L753 HydrophobicContact CE2-CD1 3.95Å; F195-L753 HydrophobicContact CZ-CD1 3.72Å; F195-I801 HydrophobicContact CZ-CG2 4Å; F195-F839 AromaticContact CD1-CD1 3.93Å; F195-F839 HydrophobicContact CD1-CD1 3.93Å; F195-F839 HydrophobicContact CD1-CE1 4.24Å; F195-F839 HydrophobicContact CD1-CG 4.26Å; F195-F839 AromaticContact CE1-CD1 3.68Å; F195-F839 HydrophobicContact CE1-CD1 3.68Å; F195-F839 AromaticContact CE1-CD2 3.98Å; F195-F839 HydrophobicContact CE1-CD2 3.98Å; F195-F839 AromaticContact CE1-CE1 3.74Å; F195-F839 HydrophobicContact CE1-CE1 3.74Å; F195-F839 HydrophobicContact CE1-CE2 4.04Å; F195-F839 AromaticContact CE1-CG 3.81Å; F195-F839 HydrophobicContact CE1-CG 3.81Å; F195-F839 AromaticContact CE1-CZ 3.92Å; F195-F839 HydrophobicContact CE1-CZ 3.92Å
196L98.4Very high96.2Very high0 Ų020.2 Ų20.20%012%0.115CC..EExtended strand (participates in β ladder)trans-115.9112.1169.9179.964.9000108.5M102 I104 L175 R176 I179 Q752 F754M102-L196 HydrophobicContact CB-CD1 4.12Å; I104-L196 HydrophobicContact CD1-CD1 4.47Å; L175-L196 HydrophobicContact CB-CD1 4.26Å; L175-L196 HydrophobicContact CB-CD2 4.28Å; L175-L196 HydrophobicContact CD1-CD1 4.28Å; R176-L196 HydrophobicContact CG-CD2 3.6Å; I179-L196 HydrophobicContact CD1-CB 4.04Å; I179-L196 HydrophobicContact CD1-CD2 4.29Å; L196-Q752 PolarHBondContact N-O 2.9Å; L196-Q752 PolarHBondContact O-N 3.49Å; L196-F754 HydrophobicContact CB-CE2 3.96Å
197S98.1Very high96.4Very high0 Ų018.7 Ų18.70%011%0.107CC..EExtended strand (participates in β ladder)trans-102.793.5169.1-166.80000108.8Y101 M102 I104 V201 K208 D751Y101-S197 WeakPolarHBondContact OH-CB 3.22Å; M102-S197 PolarHBondContact O-N 2.75Å; I104-S197 PolarHBondContact N-O 3.09Å; S197-V201 WeakPolarHBondContact OG-CB 3.37Å; S197-K208 WeakPolarHBondContact OG-CD 3.45Å; S197-K208 PolarHBondContact OG-NZ 2.83Å; S197-D751 WeakPolarHBondContact CB-OD1 3.44Å; S197-D751 PolarHBondContact OG-OD1 3.11Å
198D97Very high96.6Very high13 Ų1315.1 Ų15.17%0.078%0.082CC..  trans-77.7178-176.668.236.9000113I104 A172 N200 V201 K208I104-D198 HydrophobicContact CD1-CB 4.27Å; A172-D198 HydrophobicContact CB-CB 3.94Å; D198-N200 PolarHBondContact O-N 3.42Å; D198-N200 VanDerWaalsContact O-N 3.15Å; D198-N200 WeakPolarHBondContact OD1-CB 3.38Å; D198-N200 PolarHBondContact OD1-N 3.14Å; D198-V201 PolarHBondContact O-N 3.34Å; D198-V201 VanDerWaalsContact O-N 3.1Å; D198-K208 PolarHBondContact O-NZ 3.36Å
199A97.4Very high96.8Very high3 Ų314.7 Ų14.73%0.0258%0.077CC..THydrogen-bonded Turntrans-68.7-9.2-174.500000114.5I104 D105 G106 P163 M168I104-A199 HydrophobicContact CG2-CB 4.08Å; D105-A199 WeakPolarHBondContact O-CA 3.42Å; D105-A199 VanDerWaalsContact O-CB 3.26Å; D105-A199 WeakPolarHBondContact O-CB 3.24Å; G106-A199 WeakPolarHBondContact CA-O 3.16Å; P163-A199 HydrophobicContact CB-CB 4.36Å; P163-A199 HydrophobicContact CG-CB 4.38Å; M168-A199 HydrophobicContact CB-CB 4.19Å; M168-A199 HydrophobicContact CE-CB 4.12Å
200N95.1Very high96.9Very high30 Ų3014.9 Ų14.916%0.168%0.079CC..THydrogen-bonded Turntrans-83.9-21.3173.3-78.478.8000111.9D198 P202 R745 V747 R748 G749D198-N200 PolarHBondContact O-N 3.42Å; D198-N200 VanDerWaalsContact O-N 3.15Å; D198-N200 WeakPolarHBondContact OD1-CB 3.38Å; D198-N200 PolarHBondContact OD1-N 3.14Å; N200-P202 WeakPolarHBondContact O-CD 3.23Å; N200-R745 PolarHBondContact ND2-O 2.98Å; N200-V747 PolarHBondContact ND2-O 2.8Å; N200-R748 CarbonylContact O-C 3.53Å; N200-R748 WeakPolarHBondContact O-CA 3.5Å; N200-G749 PolarHBondContact O-N 3.18Å
201V96Very high97Very high18 Ų1812.4 Ų12.411%0.1097%0.069CC..SBendtrans-74.1122.7168.3-174.90000108.6G106 S197 D198 K208 S750G106-V201 VanDerWaalsContact CA-O 3.25Å; G106-V201 WeakPolarHBondContact CA-O 3.3Å; S197-V201 WeakPolarHBondContact OG-CB 3.37Å; D198-V201 PolarHBondContact O-N 3.34Å; D198-V201 VanDerWaalsContact O-N 3.1Å; V201-K208 HydrophobicContact CG1-CD 4.28Å; V201-K208 WeakPolarHBondContact O-CE 3.37Å; V201-K208 PolarHBondContact O-NZ 3.05Å; V201-S750 VanDerWaalsContact CG2-C 3.45Å
202P96.6Very high97.2Very high26 Ų267.9 Ų7.917%0.1695%0.045CC..  trans-65.4160.2-179.7-21.333.5000114.2N200 K208 W628 P660 R748N200-P202 WeakPolarHBondContact O-CD 3.23Å; P202-K208 WeakPolarHBondContact O-CE 3.39Å; P202-W628 HydrophobicContact CB-CH2 4.1Å; P202-P660 HydrophobicContact CB-CB 3.87Å; P202-P660 HydrophobicContact CB-CG 3.65Å; P202-P660 HydrophobicContact CG-CB 4.3Å; P202-P660 HydrophobicContact CG-CG 3.72Å; P202-R748 HydrophobicContact CG-CB 4.32Å; P202-R748 HydrophobicContact CG-CG 4.13Å
203G96.6Very high97.2Very high7 Ų77.9 Ų7.97%0.0725%0.045CC..SBendtrans101.9155.4-178.300000113.3G106 V107 K208G106-G203 CarbonylContact C-O 3.55Å; G106-G203 VanDerWaalsContact CA-O 3.25Å; G106-G203 WeakPolarHBondContact CA-O 3.19Å; G106-G203 PolarHBondContact N-O 3.37Å; V107-G203 PolarHBondContact O-N 3.37Å; G203-K208 WeakPolarHBondContact O-CE 3.15Å
204E96.9Very high97.2Very high2 Ų29 Ų91%0.0095%0.049CC..  trans-74.3146.3173-61.1170.6-109.200110D105 A108 K112 E206 H207 K208 Y620D105-E204 WeakPolarHBondContact OD1-CA 3.28Å; A108-E204 HydrophobicContact CB-CG 3.7Å; K112-E204 WeakPolarHBondContact CD-OE2 3.3Å; K112-E204 WeakPolarHBondContact CE-OE2 3.43Å; K112-E204 HydrophobicContact CG-CG 4.44Å; K112-E204 VanDerWaalsContact CG-OE2 3.25Å; K112-E204 WeakPolarHBondContact CG-OE2 3.35Å; K112-E204 IonicContact NZ-OE2 3.35Å; K112-E204 PolarHBondContact NZ-OE2 3.18Å; E204-E206 VanDerWaalsContact C-N 3.33Å; E204-E206 PolarHBondContact O-N 3Å; E204-H207 HydrophobicContact CB-CB 4.46Å; E204-H207 CarbonylContact O-C 3.55Å; E204-H207 WeakPolarHBondContact O-CA 3.28Å; E204-H207 PolarHBondContact O-N 2.89Å; E204-K208 WeakPolarHBondContact O-CG 3.31Å; E204-K208 PolarHBondContact O-N 2.8Å; E204-Y620 WeakPolarHBondContact OE1-CE1 3.38Å; E204-Y620 PolarHBondContact OE1-OH 3.4Å
205G95.9Very high97.1Very high0 Ų011.5 Ų11.50%06%0.059CC..Hα-helixtrans-55.1-46.1-171.200000113A103 D105 H207 K208 I209A103-G205 WeakPolarHBondContact CB-O 3.24Å; D105-G205 PolarHBondContact OD1-N 3.33Å; G205-H207 PolarHBondContact O-N 3.42Å; G205-K208 PolarHBondContact O-N 2.98Å; G205-I209 WeakPolarHBondContact O-CD1 3.41Å; G205-I209 WeakPolarHBondContact O-CG1 3.29Å; G205-I209 PolarHBondContact O-N 3.05Å; G205-I209 VanDerWaalsContact O-N 3.15Å
206E95.4Very high97Very high8 Ų811.7 Ų11.74%0.0376%0.059CC..Hα-helixtrans-59.4-42174.465.4-178.3168.600112.7E204 I209 M210 L237 L240E204-E206 VanDerWaalsContact C-N 3.33Å; E204-E206 PolarHBondContact O-N 3Å; E206-I209 WeakPolarHBondContact O-CB 3.41Å; E206-I209 PolarHBondContact O-N 3.07Å; E206-M210 WeakPolarHBondContact O-CG 3.22Å; E206-M210 PolarHBondContact O-N 2.67Å; E206-L237 HydrophobicContact CB-CD2 3.61Å; E206-L237 WeakPolarHBondContact OE2-CD2 3.44Å; E206-L240 HydrophobicContact CB-CD1 4.01Å; E206-L240 HydrophobicContact CG-CD1 3.82Å; E206-L240 VanDerWaalsContact OE2-CD1 3.27Å; E206-L240 WeakPolarHBondContact OE2-CD1 3.39Å
207H97.1Very high96.9Very high3 Ų312.7 Ų12.71%0.0146%0.063CC..Hα-helixtrans-74.8-31.8-179.5-84.8-85.2000112.9E204 G205 I209 M210 D211 Y620 Y621E204-H207 HydrophobicContact CB-CB 4.46Å; E204-H207 CarbonylContact O-C 3.55Å; E204-H207 WeakPolarHBondContact O-CA 3.28Å; E204-H207 PolarHBondContact O-N 2.89Å; G205-H207 PolarHBondContact O-N 3.42Å; H207-I209 VanDerWaalsContact C-N 3.31Å; H207-M210 PolarHBondContact O-N 3.37Å; H207-D211 WeakPolarHBondContact O-CB 3.23Å; H207-D211 PolarHBondContact O-N 2.94Å; H207-Y620 HydrophobicContact CB-CE2 3.83Å; H207-Y620 AromaticContact CD2-CE1 3.52Å; H207-Y620 AromaticContact CD2-CZ 3.43Å; H207-Y620 VanDerWaalsContact CD2-CZ 3.43Å; H207-Y620 AromaticContact CE1-CD1 3.47Å; H207-Y620 VanDerWaalsContact CE1-CD1 3.47Å; H207-Y620 WeakPolarHBondContact CE1-CD1 3.38Å; H207-Y620 AromaticContact CE1-CD2 3.72Å; H207-Y620 AromaticContact CE1-CE1 3.59Å; H207-Y620 AromaticContact CE1-CE2 3.83Å; H207-Y620 AromaticContact CE1-CG 3.55Å; H207-Y620 AromaticContact CE1-CZ 3.77Å; H207-Y620 AromaticContact CG-CE1 3.84Å; H207-Y620 AromaticContact CG-CE2 3.48Å; H207-Y620 VanDerWaalsContact CG-CE2 3.48Å; H207-Y620 AromaticContact CG-CZ 3.32Å; H207-Y620 AromaticContact ND1-CD2 3.48Å; H207-Y620 WeakPolarHBondContact ND1-CD2 3.07Å; H207-Y620 AromaticContact ND1-CE1 3.88Å; H207-Y620 AromaticContact ND1-CE2 3.34Å; H207-Y620 VanDerWaalsContact ND1-CE2 3.34Å; H207-Y620 WeakPolarHBondContact ND1-CE2 3.25Å; H207-Y620 AromaticContact ND1-CG 3.84Å; H207-Y620 AromaticContact ND1-CZ 3.55Å; H207-Y620 PolarHBondContact ND1-O 2.66Å; H207-Y620 AromaticContact NE2-CD1 3.59Å; H207-Y620 AromaticContact NE2-CE1 3.35Å; H207-Y620 WeakPolarHBondContact NE2-CE1 3.27Å; H207-Y620 AromaticContact NE2-CZ 3.72Å; H207-Y621 AromaticContact CE1-CD2 3.65Å; H207-Y621 AromaticContact CE1-CE2 3.88Å; H207-Y621 AromaticContact NE2-CE2 3.82Å
208K97.7Very high96.7Very high14 Ų1415 Ų156%0.0618%0.075CC..Hα-helixtrans-60.8-42.9169.2-61.2-172.3-162.6172.80111.2I104 S197 D198 V201 P202 G203 E204 G205 D211 F212I104-K208 WeakPolarHBondContact O-CE 3.41Å; I104-K208 PolarHBondContact O-NZ 2.89Å; S197-K208 WeakPolarHBondContact OG-CD 3.45Å; S197-K208 PolarHBondContact OG-NZ 2.83Å; D198-K208 PolarHBondContact O-NZ 3.36Å; V201-K208 HydrophobicContact CG1-CD 4.28Å; V201-K208 WeakPolarHBondContact O-CE 3.37Å; V201-K208 PolarHBondContact O-NZ 3.05Å; P202-K208 WeakPolarHBondContact O-CE 3.39Å; G203-K208 WeakPolarHBondContact O-CE 3.15Å; E204-K208 WeakPolarHBondContact O-CG 3.31Å; E204-K208 PolarHBondContact O-N 2.8Å; G205-K208 PolarHBondContact O-N 2.98Å; K208-D211 PolarHBondContact O-N 3.28Å; K208-F212 PolarHBondContact O-N 3.09Å
209I98.1Very high96.5Very high0 Ų016.2 Ų16.20%08%0.082CC..Hα-helixtrans-60.8-45.7174.8-72.2157.9000110.9Y54 Y101 A103 G205 E206 H207 F212 I213 L230Y54-I209 HydrophobicContact CD1-CB 4.42Å; Y54-I209 HydrophobicContact CD1-CG1 4.24Å; Y54-I209 HydrophobicContact CD1-CG2 3.56Å; Y54-I209 HydrophobicContact CE1-CG2 4.31Å; Y54-I209 HydrophobicContact CG-CG2 3.7Å; Y101-I209 HydrophobicContact CD1-CG1 3.71Å; Y101-I209 HydrophobicContact CE1-CG1 3.94Å; A103-I209 HydrophobicContact CB-CD1 3.66Å; A103-I209 HydrophobicContact CB-CG1 3.79Å; G205-I209 WeakPolarHBondContact O-CD1 3.41Å; G205-I209 WeakPolarHBondContact O-CG1 3.29Å; G205-I209 PolarHBondContact O-N 3.05Å; G205-I209 VanDerWaalsContact O-N 3.15Å; E206-I209 WeakPolarHBondContact O-CB 3.41Å; E206-I209 PolarHBondContact O-N 3.07Å; H207-I209 VanDerWaalsContact C-N 3.31Å; I209-F212 PolarHBondContact O-N 2.97Å; I209-I213 HydrophobicContact CG2-CD1 3.89Å; I209-I213 WeakPolarHBondContact O-CG1 3.44Å; I209-I213 PolarHBondContact O-N 3.48Å; I209-L230 HydrophobicContact CD1-CD1 3.91Å; I209-L230 HydrophobicContact CG2-CD1 4.3Å
210M97.8Very high96.2Very high5 Ų522.4 Ų22.43%0.02512%0.122CC..Hα-helixtrans-66.6-37177.8-59.9-47149.400112.7E206 H207 I213 R214 L230 L240 T244 F249E206-M210 WeakPolarHBondContact O-CG 3.22Å; E206-M210 PolarHBondContact O-N 2.67Å; H207-M210 PolarHBondContact O-N 3.37Å; M210-I213 PolarHBondContact O-N 2.92Å; M210-R214 WeakPolarHBondContact O-CB 3.48Å; M210-R214 PolarHBondContact O-N 2.68Å; M210-R214 PolarHBondContact O-NH1 3.02Å; M210-L230 HydrophobicContact CE-CD2 3.39Å; M210-L240 HydrophobicContact CE-CB 3.57Å; M210-L240 HydrophobicContact CE-CD1 4.33Å; M210-L240 HydrophobicContact CG-CB 3.86Å; M210-L240 HydrophobicContact CG-CD1 4.38Å; M210-L240 HydrophobicContact CG-CD2 3.97Å; M210-L240 HydrophobicContact CG-CG 4.29Å; M210-L240 HydrophobicContact SD-CB 3.89Å; M210-T244 HydrophobicContact SD-CG2 3.73Å; M210-F249 HydrophobicContact CE-CZ 4.39Å
211D97Very high96.1Very high32 Ų3224 Ų2417%0.17113%0.133CC..Hα-helixtrans-63-45.4174.3-92.842.8000111.9H207 K208 R214 R215H207-D211 WeakPolarHBondContact O-CB 3.23Å; H207-D211 PolarHBondContact O-N 2.94Å; K208-D211 PolarHBondContact O-N 3.28Å; D211-R214 IonicContact OD1-CZ 3.25Å; D211-R214 IonicContact OD1-NH1 3.24Å; D211-R214 PolarHBondContact OD1-NH1 3.4Å; D211-R214 IonicContact OD1-NH2 3.69Å; D211-R214 PolarHBondContact OD1-NH2 3.45Å; D211-R214 IonicContact OD2-NH2 2.77Å; D211-R214 PolarHBondContact OD2-NH2 2.8Å; D211-R215 VanDerWaalsContact O-CB 3.28Å; D211-R215 WeakPolarHBondContact O-CB 3.4Å; D211-R215 WeakPolarHBondContact O-CD 3.4Å; D211-R215 WeakPolarHBondContact O-CG 3.23Å; D211-R215 PolarHBondContact O-N 3.21Å; D211-R215 IonicContact OD2-NE 3.4Å; D211-R215 IonicContact OD2-NH2 2.74Å
212F97.8Very high96Very high2 Ų224.2 Ų24.21%0.00913%0.133CC..Hα-helixtrans-56.6-57.1172177.5-93.5000110.6Y54 Y101 F195 K208 I209 R214 R215 Q216 I801 F839 D841Y54-F212 AromaticContact CE1-CD1 3.86Å; Y54-F212 HydrophobicContact CE1-CD1 3.86Å; Y54-F212 HydrophobicContact CE1-CE1 4.03Å; Y101-F212 HydrophobicContact CD2-CD1 4.25Å; Y101-F212 HydrophobicContact CD2-CD2 4.01Å; Y101-F212 HydrophobicContact CD2-CE1 4.38Å; Y101-F212 HydrophobicContact CD2-CE2 4.15Å; Y101-F212 HydrophobicContact CD2-CG 4.05Å; Y101-F212 HydrophobicContact CD2-CZ 4.33Å; Y101-F212 HydrophobicContact CE2-CB 4.16Å; Y101-F212 AromaticContact CE2-CD2 3.65Å; Y101-F212 HydrophobicContact CE2-CD2 3.65Å; Y101-F212 HydrophobicContact CE2-CE2 4.13Å; Y101-F212 AromaticContact CE2-CG 3.87Å; Y101-F212 HydrophobicContact CE2-CG 3.87Å; F195-F212 HydrophobicContact CD1-CE2 4.37Å; F195-F212 HydrophobicContact CE1-CE2 4.07Å; F195-F212 HydrophobicContact CE2-CE2 4.48Å; F195-F212 HydrophobicContact CE2-CZ 4.27Å; F195-F212 HydrophobicContact CZ-CE2 4.13Å; F195-F212 HydrophobicContact CZ-CZ 4.27Å; K208-F212 PolarHBondContact O-N 3.09Å; I209-F212 PolarHBondContact O-N 2.97Å; F212-R214 VanDerWaalsContact C-N 3.33Å; F212-R214 PolarHBondContact O-N 3.48Å; F212-R215 PolarHBondContact O-N 3.17Å; F212-Q216 HydrophobicContact CD1-CG 4.26Å; F212-Q216 HydrophobicContact CD2-CG 4.26Å; F212-Q216 HydrophobicContact CE1-CG 4.05Å; F212-Q216 HydrophobicContact CE2-CG 4.06Å; F212-Q216 HydrophobicContact CG-CG 4.37Å; F212-Q216 HydrophobicContact CZ-CG 3.96Å; F212-Q216 WeakPolarHBondContact O-CB 3.5Å; F212-Q216 VanDerWaalsContact O-CG 3.27Å; F212-Q216 WeakPolarHBondContact O-CG 3.37Å; F212-Q216 PolarHBondContact O-N 3.14Å; F212-I801 HydrophobicContact CE1-CD1 4.38Å; F212-I801 HydrophobicContact CZ-CD1 3.94Å; F212-I801 HydrophobicContact CZ-CG2 4.43Å; F212-F839 HydrophobicContact CD2-CE1 4.31Å; F212-F839 HydrophobicContact CE2-CE1 4.11Å; F212-F839 HydrophobicContact CE2-CZ 4.32Å; F212-D841 WeakPolarHBondContact CD2-OD1 3.43Å
213I98Very high96Very high2 Ų225.4 Ų25.41%0.0114%0.138CC..Hα-helixtrans-56.3-47.5-178.2-67.1173.1000111.1Y54 I209 M210 R215 Q216 R217 T244 E246 F249Y54-I213 HydrophobicContact CD1-CD1 4.38Å; Y54-I213 HydrophobicContact CD2-CD1 4.31Å; Y54-I213 HydrophobicContact CE1-CD1 3.95Å; Y54-I213 HydrophobicContact CE1-CG1 3.81Å; Y54-I213 HydrophobicContact CE2-CD1 3.88Å; Y54-I213 HydrophobicContact CE2-CG1 4.4Å; I209-I213 HydrophobicContact CG2-CD1 3.89Å; I209-I213 WeakPolarHBondContact O-CG1 3.44Å; I209-I213 PolarHBondContact O-N 3.48Å; M210-I213 PolarHBondContact O-N 2.92Å; I213-R215 PolarHBondContact O-N 3.29Å; I213-Q216 PolarHBondContact O-N 3.18Å; I213-R217 WeakPolarHBondContact O-CB 3.45Å; I213-R217 PolarHBondContact O-N 3.28Å; I213-T244 HydrophobicContact CG2-CG2 4.01Å; I213-E246 HydrophobicContact CG2-CG 4.15Å; I213-F249 HydrophobicContact CD1-CE2 3.85Å; I213-F249 HydrophobicContact CD1-CZ 4.38Å
214R97.4Very high95.9Very high23 Ų2325.1 Ų25.19%0.08714%0.135CC..Hα-helixtrans-64.2-40.8-178.4-174.5172.573.4-97.4-0.9112.8M210 D211 F212 N218 Y622 Q623 F850M210-R214 WeakPolarHBondContact O-CB 3.48Å; M210-R214 PolarHBondContact O-N 2.68Å; M210-R214 PolarHBondContact O-NH1 3.02Å; D211-R214 IonicContact OD1-CZ 3.25Å; D211-R214 IonicContact OD1-NH1 3.24Å; D211-R214 PolarHBondContact OD1-NH1 3.4Å; D211-R214 IonicContact OD1-NH2 3.69Å; D211-R214 PolarHBondContact OD1-NH2 3.45Å; D211-R214 IonicContact OD2-NH2 2.77Å; D211-R214 PolarHBondContact OD2-NH2 2.8Å; F212-R214 VanDerWaalsContact C-N 3.33Å; F212-R214 PolarHBondContact O-N 3.48Å; R214-N218 PolarHBondContact O-N 2.95Å; R214-Y622 WeakPolarHBondContact CD-O 3.49Å; R214-Q623 PolarHBondContact NH2-O 3.13Å; R214-F850 HydrophobicContact CG-CB 3.83Å; R214-F850 HydrophobicContact CG-CD1 3.64Å; R214-F850 HydrophobicContact CG-CD2 3.92Å; R214-F850 HydrophobicContact CG-CE1 4.16Å; R214-F850 HydrophobicContact CG-CE2 4.4Å; R214-F850 HydrophobicContact CG-CG 3.51Å
215R96.6Very high96Very high54 Ų5426.8 Ų26.820%0.20414%0.144CC..Hα-helixtrans-73.4-37.4178.7-69.7170.3-176.6-99.83.6112.3D211 F212 I213 D841 P842 Y844 F850D211-R215 VanDerWaalsContact O-CB 3.28Å; D211-R215 WeakPolarHBondContact O-CB 3.4Å; D211-R215 WeakPolarHBondContact O-CD 3.4Å; D211-R215 WeakPolarHBondContact O-CG 3.23Å; D211-R215 PolarHBondContact O-N 3.21Å; D211-R215 IonicContact OD2-NE 3.4Å; D211-R215 IonicContact OD2-NH2 2.74Å; F212-R215 PolarHBondContact O-N 3.17Å; I213-R215 PolarHBondContact O-N 3.29Å; R215-D841 HydrophobicContact CB-CB 4.13Å; R215-D841 VanDerWaalsContact CD-CB 3.44Å; R215-D841 HydrophobicContact CG-CB 4.44Å; R215-P842 PolarHBondContact NH1-O 2.79Å; R215-P842 VanDerWaalsContact NH1-O 3.08Å; R215-Y844 HydrophobicContact CB-CE2 4.12Å; R215-Y844 HydrophobicContact CG-CD2 4.37Å; R215-Y844 HydrophobicContact CG-CE2 4.18Å; R215-Y844 PolarHBondContact O-OH 3.01Å; R215-F850 HydrophobicContact CG-CE1 4.41Å; R215-F850 HydrophobicContact CG-CZ 4.03Å
216Q96.5Very high96Very high3 Ų327 Ų271%0.01415%0.145CC..Hα-helixtrans-67.5-47.8173.2-61.9-53.2-34.800111.1F212 I213 N218 N219 H222 I801 S802 D841 P842F212-Q216 HydrophobicContact CD1-CG 4.26Å; F212-Q216 HydrophobicContact CD2-CG 4.26Å; F212-Q216 HydrophobicContact CE1-CG 4.05Å; F212-Q216 HydrophobicContact CE2-CG 4.06Å; F212-Q216 HydrophobicContact CG-CG 4.37Å; F212-Q216 HydrophobicContact CZ-CG 3.96Å; F212-Q216 WeakPolarHBondContact O-CB 3.5Å; F212-Q216 VanDerWaalsContact O-CG 3.27Å; F212-Q216 WeakPolarHBondContact O-CG 3.37Å; F212-Q216 PolarHBondContact O-N 3.14Å; I213-Q216 PolarHBondContact O-N 3.18Å; Q216-N218 PolarHBondContact O-N 2.92Å; Q216-N218 VanDerWaalsContact O-N 3.13Å; Q216-N219 VanDerWaalsContact O-CB 3.26Å; Q216-N219 WeakPolarHBondContact O-CB 3.43Å; Q216-N219 PolarHBondContact O-N 3.35Å; Q216-H222 WeakPolarHBondContact O-CB 3.03Å; Q216-I801 HydrophobicContact CG-CD1 4.11Å; Q216-S802 PolarHBondContact NE2-O 2.86Å; Q216-S802 PolarHBondContact OE1-O 3.47Å; Q216-S802 PolarHBondContact OE1-OG 3.16Å; Q216-S802 VanDerWaalsContact OE1-OG 3.06Å; Q216-D841 PolarHBondContact NE2-OD1 2.84Å; Q216-P842 VanDerWaalsContact NE2-CD 3.29Å
217R95.8Very high96.2Very high22 Ų2229.9 Ų29.98%0.08316%0.157CC..Hα-helixtrans-51.5-38179.4-179.6-170.1178.691.9-10.5113.8I213 N219 T244 H245 E246 K853 L855I213-R217 WeakPolarHBondContact O-CB 3.45Å; I213-R217 PolarHBondContact O-N 3.28Å; R217-N219 VanDerWaalsContact C-N 3.26Å; R217-N219 PolarHBondContact O-N 3.17Å; R217-T244 VanDerWaalsContact CZ-O 3.22Å; R217-T244 PolarHBondContact NE-O 3.31Å; R217-T244 PolarHBondContact NH1-O 3.48Å; R217-H245 VanDerWaalsContact NH1-C 3.3Å; R217-H245 PolarHBondContact NH1-O 3.47Å; R217-H245 PolarHBondContact NH2-O 2.67Å; R217-E246 WeakPolarHBondContact CG-OE1 3.36Å; R217-E246 IonicContact CZ-OE1 2.62Å; R217-E246 IonicContact NH1-OE1 3.22Å; R217-E246 PolarHBondContact NH1-OE1 2.95Å; R217-E246 IonicContact NH1-OE2 2.88Å; R217-E246 PolarHBondContact NH1-OE2 2.69Å; R217-K853 PolarHBondContact NH2-O 2.86Å; R217-L855 HydrophobicContact CG-CD1 3.92Å; R217-L855 HydrophobicContact CG-CD2 4.4Å; R217-L855 HydrophobicContact CG-CG 4.31Å
218N93.7Very high96.2Very high48 Ų4829.8 Ų29.826%0.25716%0.157SC..THydrogen-bonded Turntrans-82.61.2-179-167.573.2000113.3R214 Q216 Y844 F848 F850R214-N218 PolarHBondContact O-N 2.95Å; Q216-N218 PolarHBondContact O-N 2.92Å; Q216-N218 VanDerWaalsContact O-N 3.13Å; N218-Y844 WeakPolarHBondContact ND2-CE1 3.33Å; N218-Y844 VanDerWaalsContact ND2-CZ 3.33Å; N218-Y844 PolarHBondContact ND2-OH 3.08Å; N218-Y844 PolarHBondContact O-OH 3.27Å; N218-F848 WeakPolarHBondContact ND2-CE1 3.39Å; N218-F848 WeakPolarHBondContact ND2-CZ 3.3Å; N218-F850 HydrophobicContact CB-CD1 3.88Å; N218-F850 HydrophobicContact CB-CE1 4Å
219N92.2Very high96.3Very high39 Ų3929.1 Ų29.121%0.20915%0.154CC..SBendtrans-84.7132.5168.3-165.8-53.1000110.7Q216 R217 T221 H222 S802Q216-N219 VanDerWaalsContact O-CB 3.26Å; Q216-N219 WeakPolarHBondContact O-CB 3.43Å; Q216-N219 PolarHBondContact O-N 3.35Å; R217-N219 VanDerWaalsContact C-N 3.26Å; R217-N219 PolarHBondContact O-N 3.17Å; N219-T221 PolarHBondContact O-N 3.21Å; N219-T221 PolarHBondContact OD1-N 3.14Å; N219-T221 PolarHBondContact OD1-OG1 3.49Å; N219-H222 WeakPolarHBondContact O-CB 3.32Å; N219-H222 PolarHBondContact O-N 3.05Å; N219-S802 WeakPolarHBondContact ND2-CB 3.15Å; N219-S802 PolarHBondContact ND2-OG 3.29Å
220P92Very high96.3Very high132 Ų13229.1 Ų29.186%0.85715%0.154SC*.THydrogen-bonded Turntrans-55.6-15.1175.5-27.735.6000116.5
221T92.8Very high96.3Very high64 Ų6429.2 Ų29.239%0.39316%0.155SC..THydrogen-bonded Turntrans-92-2.4177.460.20000114.8N219 P795 G800N219-T221 PolarHBondContact O-N 3.21Å; N219-T221 PolarHBondContact OD1-N 3.14Å; N219-T221 PolarHBondContact OD1-OG1 3.49Å; T221-P795 HydrophobicContact CG2-CB 3.85Å; T221-P795 HydrophobicContact CG2-CG 4.08Å; T221-P795 VanDerWaalsContact OG1-CB 3.31Å; T221-P795 WeakPolarHBondContact OG1-CB 3.39Å; T221-G800 WeakPolarHBondContact O-CA 3.24Å; T221-G800 PolarHBondContact OG1-O 3.13Å
222H94.7Very high95.9Very high23 Ų2327.9 Ų27.911%0.10615%0.149CC..SBendtrans-69.4136.2177.4179.581.3000112Q216 N219 A224 E246Q216-H222 WeakPolarHBondContact O-CB 3.03Å; N219-H222 WeakPolarHBondContact O-CB 3.32Å; N219-H222 PolarHBondContact O-N 3.05Å; H222-A224 PolarHBondContact O-N 3.04Å; H222-E246 IonicContact CD2-OE1 2.78Å; H222-E246 IonicContact CE1-OE1 3.17Å; H222-E246 IonicContact NE2-OE1 2.67Å; H222-E246 PolarHBondContact NE2-OE1 2.63Å
223D95.3Very high95.2Very high51 Ų5129.9 Ų29.927%0.27317%0.166SC..  trans-81.1107174.2175.28.9000109.6R98 N225 T226R98-D223 IonicContact CZ-OD2 2.66Å; R98-D223 IonicContact NH1-OD2 3.51Å; R98-D223 PolarHBondContact NH1-OD2 3.24Å; R98-D223 IonicContact NH2-OD2 3.24Å; R98-D223 PolarHBondContact NH2-OD2 3.46Å; D223-N225 PolarHBondContact O-N 3.24Å; D223-N225 PolarHBondContact OD1-N 2.95Å; D223-T226 WeakPolarHBondContact O-CB 3.38Å; D223-T226 PolarHBondContact O-N 3.21Å; D223-T226 PolarHBondContact O-OG1 3.11Å
224A96.3Very high94.6Very high1 Ų132.9 Ų32.91%0.00818%0.182CC..THydrogen-bonded Turntrans-60.1-6.4178.500000115.1H222 L855 S857 V858H222-A224 PolarHBondContact O-N 3.04Å; A224-L855 HydrophobicContact CB-CB 3.66Å; A224-L855 HydrophobicContact CB-CD1 3.76Å; A224-L855 HydrophobicContact CB-CG 4.36Å; A224-S857 VanDerWaalsContact CB-OG 3.3Å; A224-S857 WeakPolarHBondContact CB-OG 3.36Å; A224-V858 HydrophobicContact CB-CB 4.15Å; A224-V858 VanDerWaalsContact O-CG2 3.23Å; A224-V858 WeakPolarHBondContact O-CG2 3.18Å
225N97.1Very high94Very high37 Ų3732 Ų3220%0.19818%0.18CC..THydrogen-bonded Turntrans-112.512.8178.4-54.1-87000112.3D223 K227 Y248 S857 K859D223-N225 PolarHBondContact O-N 3.24Å; D223-N225 PolarHBondContact OD1-N 2.95Å; N225-K227 PolarHBondContact O-N 3.21Å; N225-Y248 HydrophobicContact CB-CE2 4.42Å; N225-S857 PolarHBondContact ND2-O 3.16Å; N225-K859 WeakPolarHBondContact OD1-CB 3.22Å; N225-K859 PolarHBondContact OD1-N 2.73Å
226T97.6Very high93.6Very high5 Ų530.3 Ų30.33%0.03118%0.175CC..  trans-55.2131174-61.60000110.1D51 N52 D223 H228D51-T226 HydrophobicContact CB-CG2 3.95Å; N52-T226 WeakPolarHBondContact ND2-CG2 3.34Å; D223-T226 WeakPolarHBondContact O-CB 3.38Å; D223-T226 PolarHBondContact O-N 3.21Å; D223-T226 PolarHBondContact O-OG1 3.11Å; T226-H228 PolarHBondContact O-CD2 2.96Å; T226-H228 PolarHBondContact O-NE2 2.98Å
227K98.2Very high93.4Very high68 Ų6830.1 Ų30.130%0.29617%0.174SC..  trans-96.8112.9179.2-61.7179.7174179.80111E49 D51 N52 N225 Y248E49-K227 WeakPolarHBondContact O-CD 3.19Å; E49-K227 PolarHBondContact O-NZ 2.85Å; D51-K227 PolarHBondContact N-O 3.22Å; D51-K227 WeakPolarHBondContact OD2-CB 3.25Å; D51-K227 PolarHBondContact OD2-N 3.35Å; N52-K227 PolarHBondContact N-O 3.35Å; N225-K227 PolarHBondContact O-N 3.21Å; K227-Y248 HydrophobicContact CG-CD1 4.22Å; K227-Y248 HydrophobicContact CG-CG 4.16Å
228H98.5Very high93.4Very high1 Ų129.1 Ų29.11%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-97.8129.4-175.7-57.1-95.5000110.9Y54 T226 E246 Y248 F249 T250Y54-H228 HydrophobicContact CE2-CB 3.91Å; Y54-H228 AromaticContact CE2-ND1 3.38Å; Y54-H228 WeakPolarHBondContact CE2-ND1 3.47Å; Y54-H228 AromaticContact CZ-ND1 3.55Å; Y54-H228 PolarHBondContact OH-CE1 3.08Å; Y54-H228 PolarHBondContact OH-ND1 3.41Å; T226-H228 PolarHBondContact O-CD2 2.96Å; T226-H228 PolarHBondContact O-NE2 2.98Å; H228-E246 IonicContact NE2-OE2 3.27Å; H228-Y248 PolarHBondContact N-O 3.32Å; H228-F249 HydrophobicContact CB-CD2 3.68Å; H228-F249 HydrophobicContact CB-CE2 3.95Å; H228-F249 HydrophobicContact CB-CG 4.16Å; H228-T250 PolarHBondContact O-N 3.31Å
229C98.5Very high93.4Very high0 Ų027 Ų270%016%0.158CC..EExtended strand (participates in β ladder)trans-120119.3167.7-174.30000109.9F50 N52 L53 Y54 V94 T250F50-C229 HydrophobicContact CB-CB 4.43Å; F50-C229 HydrophobicContact CD1-CB 3.63Å; F50-C229 HydrophobicContact CE1-CB 4Å; F50-C229 HydrophobicContact CG-CB 4.02Å; N52-C229 PolarHBondContact O-N 2.88Å; L53-C229 CarbonylContact C-O 3.45Å; L53-C229 WeakPolarHBondContact CA-O 3.27Å; L53-C229 HydrophobicContact CD1-CB 4.34Å; L53-C229 WeakPolarHBondContact CD1-O 3.37Å; Y54-C229 WeakPolarHBondContact CD2-O 3.44Å; Y54-C229 PolarHBondContact N-O 3.03Å; V94-C229 HydrophobicContact CG1-CB 3.66Å; C229-T250 CarbonylContact C-O 3.58Å; C229-T250 VanDerWaalsContact CA-O 3.29Å; C229-T250 WeakPolarHBondContact CA-O 3.28Å
230L98.2Very high93.6Very high0 Ų025.1 Ų25.10%015%0.149CC..EExtended strand (participates in β ladder)trans-107.9122.8178.8172.556.5000110.5I209 M210 L237 F249 T250 I251 I252I209-L230 HydrophobicContact CD1-CD1 3.91Å; I209-L230 HydrophobicContact CG2-CD1 4.3Å; M210-L230 HydrophobicContact CE-CD2 3.39Å; L230-L237 HydrophobicContact CD2-CB 4.29Å; L230-L237 HydrophobicContact CD2-CD2 3.96Å; L230-L237 HydrophobicContact CG-CD2 4.49Å; L230-F249 HydrophobicContact CB-CE1 3.75Å; L230-F249 HydrophobicContact CB-CZ 3.99Å; L230-F249 HydrophobicContact CD2-CE1 3.95Å; L230-F249 HydrophobicContact CD2-CZ 3.9Å; L230-T250 PolarHBondContact N-O 3.03Å; L230-I251 HydrophobicContact CB-CG1 4.38Å; L230-I251 CarbonylContact O-C 3.52Å; L230-I251 WeakPolarHBondContact O-CA 3.28Å; L230-I251 WeakPolarHBondContact O-CG2 3.39Å; L230-I252 PolarHBondContact O-N 3.19Å
231C97.2Very high93.9Very high6 Ų618.9 Ų18.94%0.04111%0.108CC..EExtended strand (participates in β ladder)trans-91.2126.4173.3-175.30000110.8Y54 L55 D56 L90 I252Y54-C231 PolarHBondContact O-N 3.11Å; L55-C231 HydrophobicContact CD2-CB 3.5Å; L55-C231 VanDerWaalsContact CD2-CB 3.5Å; D56-C231 PolarHBondContact N-O 3.01Å; L90-C231 HydrophobicContact CD1-CB 4.26Å; L90-C231 WeakPolarHBondContact CD1-SG 3.45Å; C231-I252 WeakPolarHBondContact CA-O 3.03Å; C231-I252 HydrophobicContact CB-CG2 3.61Å
232G89.8Confident94.1Very high5 Ų516 Ų165%0.0529%0.09CC..  trans171.2159.6171.700000112.5L237 I252 R253G232-L237 VanDerWaalsContact CA-CD1 3.46Å; G232-I252 PolarHBondContact N-O 2.73Å; G232-R253 WeakPolarHBondContact O-CB 3.17Å
233A83.7Confident94.2Very high44 Ų4415.4 Ų15.436%0.3649%0.09SC..  trans-94.1-16.3-175.200000113.9V3 R253V3-A233 WeakPolarHBondContact CG1-O 3.49Å; A233-R253 PolarHBondContact O-NH1 2.9Å; A233-R253 PolarHBondContact O-NH2 3.17Å
234D84.7Confident94.3Very high64 Ų6413.7 Ų13.734%0.3428%0.081SC..  trans-75.2155.6-166.7-73.5-5.6000113.9L237D234-L237 HydrophobicContact CB-CD1 4.25Å; D234-L237 HydrophobicContact CB-CG 4.14Å
235A84.1Confident94.4Very high6 Ų613.8 Ų13.85%0.058%0.081CC..SBendtrans-74.5-34-17900000111.4V3 F6 L237 I238V3-A235 HydrophobicContact CG2-CB 4.37Å; F6-A235 HydrophobicContact CB-CB 4.2Å; F6-A235 HydrophobicContact CD1-CB 3.86Å; F6-A235 HydrophobicContact CG-CB 4.3Å; A235-L237 PolarHBondContact O-N 3.13Å; A235-I238 WeakPolarHBondContact O-CB 3.5Å; A235-I238 PolarHBondContact O-N 3.14Å; A235-I238 VanDerWaalsContact O-N 3.11Å
236D88.2Confident94.4Very high17 Ų1712.2 Ų12.29%0.0917%0.073CC..Hα-helixtrans-65.2-29.5-175.9-70.824.6000110.8I238 M239 L240 Y621D236-I238 PolarHBondContact O-N 3.08Å; D236-I238 VanDerWaalsContact O-N 3.11Å; D236-M239 CarbonylContact O-C 3.59Å; D236-M239 WeakPolarHBondContact O-CA 3.49Å; D236-M239 WeakPolarHBondContact O-CB 3.47Å; D236-M239 PolarHBondContact O-N 2.84Å; D236-L240 WeakPolarHBondContact O-CG 3.26Å; D236-L240 PolarHBondContact O-N 2.69Å; D236-Y621 VanDerWaalsContact CB-OH 3.31Å; D236-Y621 WeakPolarHBondContact CB-OH 3.41Å; D236-Y621 VanDerWaalsContact CG-OH 3.25Å; D236-Y621 PolarHBondContact OD2-OH 3.34Å
237L93Very high94.4Very high0 Ų012.1 Ų12.10%07%0.072CC..Hα-helixtrans-52.6-33.2171.2-55.8174000113.8E206 L230 G232 D234 A235 G241 I251E206-L237 HydrophobicContact CB-CD2 3.61Å; E206-L237 WeakPolarHBondContact OE2-CD2 3.44Å; L230-L237 HydrophobicContact CD2-CB 4.29Å; L230-L237 HydrophobicContact CD2-CD2 3.96Å; L230-L237 HydrophobicContact CG-CD2 4.49Å; G232-L237 VanDerWaalsContact CA-CD1 3.46Å; D234-L237 HydrophobicContact CB-CD1 4.25Å; D234-L237 HydrophobicContact CB-CG 4.14Å; A235-L237 PolarHBondContact O-N 3.13Å; L237-G241 PolarHBondContact O-N 3.05Å; L237-I251 HydrophobicContact CB-CD1 4.05Å; L237-I251 WeakPolarHBondContact O-CD1 3.47Å
238I94.7Very high94.4Very high1 Ų111.2 Ų11.21%0.0057%0.067CC..Hα-helixtrans-69.7-39.2177.2-63.2172000110.3F6 L10 A235 D236 L242 I251 I303 L305 L308F6-I238 HydrophobicContact CD1-CD1 4.48Å; F6-I238 HydrophobicContact CE1-CD1 4.03Å; F6-I238 HydrophobicContact CE1-CG2 4.49Å; L10-I238 HydrophobicContact CD2-CD1 3.73Å; L10-I238 HydrophobicContact CD2-CG2 4.12Å; A235-I238 WeakPolarHBondContact O-CB 3.5Å; A235-I238 PolarHBondContact O-N 3.14Å; A235-I238 VanDerWaalsContact O-N 3.11Å; D236-I238 PolarHBondContact O-N 3.08Å; D236-I238 VanDerWaalsContact O-N 3.11Å; I238-L242 VanDerWaalsContact O-CG 3.3Å; I238-L242 WeakPolarHBondContact O-CG 3.39Å; I238-L242 PolarHBondContact O-N 3.31Å; I238-I251 HydrophobicContact CB-CD1 4.32Å; I238-I251 HydrophobicContact CG1-CD1 3.73Å; I238-I303 HydrophobicContact CD1-CD1 4.03Å; I238-I303 HydrophobicContact CG1-CD1 4.44Å; I238-L305 HydrophobicContact CG2-CD2 4.01Å; I238-L308 HydrophobicContact CG2-CD2 3.76Å
239M94.8Very high94.3Very high2 Ų211.2 Ų11.21%0.017%0.067CC..Hα-helixtrans-72.5-46.2177.4-60.5-57.4165.400111.3F6 D236 L242 A243 W334 V335 C338 Y621F6-M239 HydrophobicContact CE1-CE 3.89Å; F6-M239 HydrophobicContact CE2-CE 3.64Å; F6-M239 HydrophobicContact CZ-CE 3.18Å; D236-M239 CarbonylContact O-C 3.59Å; D236-M239 WeakPolarHBondContact O-CA 3.49Å; D236-M239 WeakPolarHBondContact O-CB 3.47Å; D236-M239 PolarHBondContact O-N 2.84Å; M239-L242 PolarHBondContact O-N 3.31Å; M239-A243 WeakPolarHBondContact O-CB 3.38Å; M239-A243 PolarHBondContact O-N 2.84Å; M239-W334 HydrophobicContact CE-CH2 3.74Å; M239-W334 HydrophobicContact CE-CZ3 3.67Å; M239-W334 HydrophobicContact SD-CE3 4.1Å; M239-W334 HydrophobicContact SD-CH2 4.23Å; M239-W334 HydrophobicContact SD-CZ3 3.54Å; M239-W334 VanDerWaalsContact SD-CZ3 3.54Å; M239-V335 HydrophobicContact CB-CG1 4.09Å; M239-V335 HydrophobicContact CB-CG2 4.44Å; M239-V335 HydrophobicContact SD-CB 4.4Å; M239-V335 HydrophobicContact SD-CG1 4.49Å; M239-V335 HydrophobicContact SD-CG2 3.99Å; M239-C338 HydrophobicContact CE-CB 3.49Å; M239-C338 VanDerWaalsContact CE-CB 3.49Å; M239-C338 WeakPolarHBondContact CE-SG 3.43Å; M239-C338 HydrophobicContact SD-CB 4.03Å; M239-Y621 HydrophobicContact CB-CD1 4.4Å; M239-Y621 HydrophobicContact CB-CE1 3.81Å
240L96.3Very high94.3Very high1 Ų111.5 Ų11.51%0.0057%0.069CC..Hα-helixtrans-60-46.8176.2-68.9168.7000111.1E206 M210 D236 L242 A243 T244 Y621E206-L240 HydrophobicContact CB-CD1 4.01Å; E206-L240 HydrophobicContact CG-CD1 3.82Å; E206-L240 VanDerWaalsContact OE2-CD1 3.27Å; E206-L240 WeakPolarHBondContact OE2-CD1 3.39Å; M210-L240 HydrophobicContact CE-CB 3.57Å; M210-L240 HydrophobicContact CE-CD1 4.33Å; M210-L240 HydrophobicContact CG-CB 3.86Å; M210-L240 HydrophobicContact CG-CD1 4.38Å; M210-L240 HydrophobicContact CG-CD2 3.97Å; M210-L240 HydrophobicContact CG-CG 4.29Å; M210-L240 HydrophobicContact SD-CB 3.89Å; D236-L240 WeakPolarHBondContact O-CG 3.26Å; D236-L240 PolarHBondContact O-N 2.69Å; L240-L242 VanDerWaalsContact C-N 3.33Å; L240-L242 PolarHBondContact O-N 3.16Å; L240-A243 WeakPolarHBondContact O-CB 3.37Å; L240-A243 PolarHBondContact O-N 2.7Å; L240-A243 VanDerWaalsContact O-N 3.17Å; L240-T244 WeakPolarHBondContact O-CG2 3.26Å; L240-T244 PolarHBondContact O-N 3.37Å; L240-T244 VanDerWaalsContact O-N 3.15Å; L240-Y621 HydrophobicContact CD2-CD1 3.34Å; L240-Y621 HydrophobicContact CD2-CD2 3.95Å; L240-Y621 HydrophobicContact CD2-CE1 3.53Å; L240-Y621 HydrophobicContact CD2-CE2 4.1Å; L240-Y621 HydrophobicContact CD2-CG 3.57Å; L240-Y621 HydrophobicContact CG-CD1 3.91Å; L240-Y621 HydrophobicContact CG-CE1 3.67Å
241G97.3Very high94.3Very high1 Ų111.6 Ų11.61%0.017%0.07CC..Hα-helixtrans-61.3-37.6176.400000113.2L237 T244L237-G241 PolarHBondContact O-N 3.05Å; G241-T244 PolarHBondContact O-OG1 3.18Å
242L97.7Very high94.3Very high2 Ų211.3 Ų11.31%0.017%0.068CC..Hα-helixtrans-66.6-43.6172-76.5171.7000112.2I238 M239 L240 T244 H245 L305 L308 R309 L312 I331 W334 V335I238-L242 VanDerWaalsContact O-CG 3.3Å; I238-L242 WeakPolarHBondContact O-CG 3.39Å; I238-L242 PolarHBondContact O-N 3.31Å; M239-L242 PolarHBondContact O-N 3.31Å; L240-L242 VanDerWaalsContact C-N 3.33Å; L240-L242 PolarHBondContact O-N 3.16Å; L242-T244 PolarHBondContact O-N 3.32Å; L242-H245 PolarHBondContact O-N 3.04Å; L242-L305 HydrophobicContact CD2-CB 4.41Å; L242-L305 HydrophobicContact CG-CD1 4.48Å; L242-L308 HydrophobicContact CD1-CD2 3.93Å; L242-R309 HydrophobicContact CD2-CG 3.53Å; L242-L312 HydrophobicContact CD1-CD1 4.24Å; L242-I331 HydrophobicContact CB-CG2 3.92Å; L242-I331 HydrophobicContact CD2-CG2 4.32Å; L242-W334 HydrophobicContact CD1-CE3 3.99Å; L242-W334 HydrophobicContact CD1-CZ3 3.57Å; L242-V335 HydrophobicContact CB-CG2 4.18Å; L242-V335 HydrophobicContact CD1-CG2 4.45Å
243A97.3Very high94.4Very high11 Ų1112.1 Ų12.19%0.0917%0.069CC..Hα-helixtrans-64.3-15.4179.200000114.1M239 L240 H245 Y622M239-A243 WeakPolarHBondContact O-CB 3.38Å; M239-A243 PolarHBondContact O-N 2.84Å; L240-A243 WeakPolarHBondContact O-CB 3.37Å; L240-A243 PolarHBondContact O-N 2.7Å; L240-A243 VanDerWaalsContact O-N 3.17Å; A243-H245 PolarHBondContact O-CD2 3.42Å; A243-H245 VanDerWaalsContact O-CD2 3.25Å; A243-H245 PolarHBondContact O-N 2.98Å; A243-Y622 HydrophobicContact CB-CD1 4.26Å; A243-Y622 HydrophobicContact CB-CD2 4.28Å; A243-Y622 HydrophobicContact CB-CE1 3.7Å; A243-Y622 HydrophobicContact CB-CE2 3.72Å; A243-Y622 WeakPolarHBondContact CB-OH 3.37Å
244T97.4Very high94.7Very high15 Ų1512.9 Ų12.99%0.0927%0.065CC..THydrogen-bonded Turntrans-68.3-23.3170690000113.5M210 I213 R217 L240 G241 L242 E246 F249M210-T244 HydrophobicContact SD-CG2 3.73Å; I213-T244 HydrophobicContact CG2-CG2 4.01Å; R217-T244 VanDerWaalsContact CZ-O 3.22Å; R217-T244 PolarHBondContact NE-O 3.31Å; R217-T244 PolarHBondContact NH1-O 3.48Å; L240-T244 WeakPolarHBondContact O-CG2 3.26Å; L240-T244 PolarHBondContact O-N 3.37Å; L240-T244 VanDerWaalsContact O-N 3.15Å; G241-T244 PolarHBondContact O-OG1 3.18Å; L242-T244 PolarHBondContact O-N 3.32Å; T244-E246 PolarHBondContact O-N 3.18Å; T244-E246 VanDerWaalsContact O-N 3.16Å; T244-E246 PolarHBondContact OG1-N 3.1Å; T244-E246 VanDerWaalsContact OG1-N 3.11Å; T244-F249 HydrophobicContact CG2-CD2 4.38Å; T244-F249 HydrophobicContact CG2-CE2 3.87Å
245H97.8Very high94.8Very high4 Ų412.6 Ų12.62%0.0196%0.062CC..THydrogen-bonded Turntrans52.423-166.3-57.4-91.5000114.6R217 L242 A243 P247 E328 D332 Y622 S852 L854R217-H245 VanDerWaalsContact NH1-C 3.3Å; R217-H245 PolarHBondContact NH1-O 3.47Å; R217-H245 PolarHBondContact NH2-O 2.67Å; L242-H245 PolarHBondContact O-N 3.04Å; A243-H245 PolarHBondContact O-CD2 3.42Å; A243-H245 VanDerWaalsContact O-CD2 3.25Å; A243-H245 PolarHBondContact O-N 2.98Å; H245-P247 WeakPolarHBondContact O-CD 3.32Å; H245-E328 IonicContact CE1-OE2 2.59Å; H245-E328 IonicContact CG-OE2 2.79Å; H245-E328 IonicContact ND1-OE2 3.27Å; H245-E328 PolarHBondContact ND1-OE2 2.73Å; H245-D332 IonicContact CE1-OD1 2.75Å; H245-D332 PolarHBondContact CE1-OD1 3.15Å; H245-D332 IonicContact NE2-OD1 3.61Å; H245-D332 PolarHBondContact NE2-OD1 3.04Å; H245-Y622 AromaticContact NE2-CE1 3.69Å; H245-S852 VanDerWaalsContact NE2-CB 3.29Å; H245-S852 WeakPolarHBondContact NE2-CB 3.48Å; H245-S852 PolarHBondContact NE2-OG 2.91Å; H245-L854 WeakPolarHBondContact O-CD2 3.39Å
246E97.7Very high94.4Very high4 Ų418.8 Ų18.82%0.0199%0.088CC..  trans-79.5116168.3-68.8-63.8161.700109.1I213 R217 H222 H228 T244 Y248 F249I213-E246 HydrophobicContact CG2-CG 4.15Å; R217-E246 WeakPolarHBondContact CG-OE1 3.36Å; R217-E246 IonicContact CZ-OE1 2.62Å; R217-E246 IonicContact NH1-OE1 3.22Å; R217-E246 PolarHBondContact NH1-OE1 2.95Å; R217-E246 IonicContact NH1-OE2 2.88Å; R217-E246 PolarHBondContact NH1-OE2 2.69Å; H222-E246 IonicContact CD2-OE1 2.78Å; H222-E246 IonicContact CE1-OE1 3.17Å; H222-E246 IonicContact NE2-OE1 2.67Å; H222-E246 PolarHBondContact NE2-OE1 2.63Å; H228-E246 IonicContact NE2-OE2 3.27Å; T244-E246 PolarHBondContact O-N 3.18Å; T244-E246 VanDerWaalsContact O-N 3.16Å; T244-E246 PolarHBondContact OG1-N 3.1Å; T244-E246 VanDerWaalsContact OG1-N 3.11Å; E246-Y248 PolarHBondContact O-N 2.82Å; E246-F249 HydrophobicContact CB-CD2 4.17Å
247P96.9Very high93.7Very high2 Ų221.9 Ų21.91%0.01310%0.1CC..SBendtrans-76.8-10.2-175.429.7-32.5000113.1H245 N306 L854 V858 M860 P861H245-P247 WeakPolarHBondContact O-CD 3.32Å; P247-N306 WeakPolarHBondContact O-CB 3.38Å; P247-L854 HydrophobicContact CB-CD2 4.45Å; P247-L854 HydrophobicContact CG-CD2 4.21Å; P247-V858 HydrophobicContact CG-CG2 3.4Å; P247-V858 VanDerWaalsContact CG-CG2 3.4Å; P247-M860 HydrophobicContact CB-CE 4.27Å; P247-M860 HydrophobicContact CB-SD 4.2Å; P247-M860 HydrophobicContact CG-SD 4.39Å; P247-P861 HydrophobicContact CB-CG 4.26Å; P247-P861 VanDerWaalsContact O-CG 3.3Å; P247-P861 WeakPolarHBondContact O-CG 3.36Å
248Y97.8Very high92.5Very high49 Ų4925.5 Ų25.519%0.19212%0.124CC..SBendtrans-106.561.6172.5-67-83.4000111.2N225 K227 H228 E246 K859 P861N225-Y248 HydrophobicContact CB-CE2 4.42Å; K227-Y248 HydrophobicContact CG-CD1 4.22Å; K227-Y248 HydrophobicContact CG-CG 4.16Å; H228-Y248 PolarHBondContact N-O 3.32Å; E246-Y248 PolarHBondContact O-N 2.82Å; Y248-K859 WeakPolarHBondContact CE2-O 3.44Å; Y248-K859 VanDerWaalsContact CZ-O 3.31Å; Y248-K859 PolarHBondContact OH-O 3.4Å; Y248-P861 HydrophobicContact CD1-CB 4.48Å; Y248-P861 HydrophobicContact CD1-CG 3.93Å; Y248-P861 HydrophobicContact CD2-CG 4.45Å; Y248-P861 HydrophobicContact CE1-CB 3.9Å; Y248-P861 HydrophobicContact CE1-CG 3.64Å; Y248-P861 HydrophobicContact CE2-CG 4.18Å; Y248-P861 HydrophobicContact CG-CG 4.33Å
249F98.2Very high91.2Very high1 Ų132 Ų320%0.00416%0.159CC..EExtended strand (participates in β ladder)trans-115.3127.8179.9-151.9-71.7000111.6M210 I213 H228 L230 T244 E246 I251 L305M210-F249 HydrophobicContact CE-CZ 4.39Å; I213-F249 HydrophobicContact CD1-CE2 3.85Å; I213-F249 HydrophobicContact CD1-CZ 4.38Å; H228-F249 HydrophobicContact CB-CD2 3.68Å; H228-F249 HydrophobicContact CB-CE2 3.95Å; H228-F249 HydrophobicContact CB-CG 4.16Å; L230-F249 HydrophobicContact CB-CE1 3.75Å; L230-F249 HydrophobicContact CB-CZ 3.99Å; L230-F249 HydrophobicContact CD2-CE1 3.95Å; L230-F249 HydrophobicContact CD2-CZ 3.9Å; T244-F249 HydrophobicContact CG2-CD2 4.38Å; T244-F249 HydrophobicContact CG2-CE2 3.87Å; E246-F249 HydrophobicContact CB-CD2 4.17Å; F249-I251 HydrophobicContact CD1-CG1 4.43Å; F249-I251 HydrophobicContact CE1-CG1 4.14Å; F249-L305 HydrophobicContact CB-CB 4.39Å; F249-L305 HydrophobicContact CB-CD1 4.17Å; F249-L305 HydrophobicContact CD1-CD1 3.56Å; F249-L305 HydrophobicContact CD1-CG 4.3Å; F249-L305 HydrophobicContact CE1-CD1 4.28Å; F249-L305 HydrophobicContact CG-CD1 4.11Å; F249-L305 WeakPolarHBondContact O-CB 3.48Å; F249-L305 PolarHBondContact O-N 3.27Å
250T98.1Very high89.9Confident7 Ų736.1 Ų36.14%0.04318%0.178CC..EExtended strand (participates in β ladder)trans-130143.7177.3-60.60000109.7F50 H228 C229 L230 F302 I303 R304F50-T250 HydrophobicContact CE1-CG2 4.31Å; F50-T250 HydrophobicContact CZ-CG2 4.38Å; H228-T250 PolarHBondContact O-N 3.31Å; C229-T250 CarbonylContact C-O 3.58Å; C229-T250 VanDerWaalsContact CA-O 3.29Å; C229-T250 WeakPolarHBondContact CA-O 3.28Å; L230-T250 PolarHBondContact N-O 3.03Å; T250-F302 HydrophobicContact CG2-CB 3.7Å; T250-F302 HydrophobicContact CG2-CD1 3.53Å; T250-F302 HydrophobicContact CG2-CE1 4.35Å; T250-F302 HydrophobicContact CG2-CG 3.82Å; T250-I303 WeakPolarHBondContact CA-O 3.25Å; T250-R304 HydrophobicContact CG2-CG 4.48Å
251I97.7Very high88.5Confident2 Ų239.4 Ų39.41%0.0120%0.2CC..EExtended strand (participates in β ladder)trans-109.6133.4172.6-62.7162.8000108.5L230 L237 I238 F249 F302 I303 L305L230-I251 HydrophobicContact CB-CG1 4.38Å; L230-I251 CarbonylContact O-C 3.52Å; L230-I251 WeakPolarHBondContact O-CA 3.28Å; L230-I251 WeakPolarHBondContact O-CG2 3.39Å; L237-I251 HydrophobicContact CB-CD1 4.05Å; L237-I251 WeakPolarHBondContact O-CD1 3.47Å; I238-I251 HydrophobicContact CB-CD1 4.32Å; I238-I251 HydrophobicContact CG1-CD1 3.73Å; F249-I251 HydrophobicContact CD1-CG1 4.43Å; F249-I251 HydrophobicContact CE1-CG1 4.14Å; I251-F302 CarbonylContact O-C 3.59Å; I251-F302 VanDerWaalsContact O-CA 3.28Å; I251-F302 WeakPolarHBondContact O-CA 3.45Å; I251-I303 HydrophobicContact CB-CB 4.27Å; I251-I303 PolarHBondContact N-O 2.94Å; I251-I303 PolarHBondContact O-N 3.21Å; I251-L305 HydrophobicContact CD1-CD1 4.2Å; I251-L305 HydrophobicContact CD1-CD2 4.17Å; I251-L305 HydrophobicContact CD1-CG 4.45Å
252I96.7Very high87.2Confident0 Ų044.3 Ų44.30%022%0.221CC..EExtended strand (participates in β ladder)trans-105.1136.6171-171.9172.7000110L90 I93 V94 L230 C231 G232 F300 I301 F302L90-I252 HydrophobicContact CD2-CD1 4.17Å; I93-I252 HydrophobicContact CG2-CD1 3.87Å; V94-I252 HydrophobicContact CG2-CD1 3.81Å; V94-I252 HydrophobicContact CG2-CG2 4.38Å; L230-I252 PolarHBondContact O-N 3.19Å; C231-I252 WeakPolarHBondContact CA-O 3.03Å; C231-I252 HydrophobicContact CB-CG2 3.61Å; G232-I252 PolarHBondContact N-O 2.73Å; I252-F300 HydrophobicContact CD1-CB 4.27Å; I252-F300 HydrophobicContact CD1-CD1 4.21Å; I252-F300 HydrophobicContact CD1-CG 4.35Å; I252-F300 HydrophobicContact CG1-CB 4.31Å; I252-F300 HydrophobicContact CG1-CD1 4.02Å; I252-F300 HydrophobicContact CG1-CG 4.48Å; I252-I301 WeakPolarHBondContact CA-O 3.33Å; I252-F302 HydrophobicContact CB-CD1 3.82Å; I252-F302 HydrophobicContact CB-CE1 3.82Å; I252-F302 HydrophobicContact CD1-CD1 4.41Å; I252-F302 HydrophobicContact CD1-CE1 3.81Å; I252-F302 HydrophobicContact CD1-CZ 4.38Å; I252-F302 HydrophobicContact CG1-CD1 4.09Å; I252-F302 HydrophobicContact CG1-CE1 3.97Å
253R93.3Very high86.2Confident21 Ų2146.7 Ų46.78%0.07924%0.236CC..EExtended strand (participates in β ladder)trans-152.4162.317865.9179.6-63.3137.411.2111.6G232 A233 F300 I301 I303G232-R253 WeakPolarHBondContact O-CB 3.17Å; A233-R253 PolarHBondContact O-NH1 2.9Å; A233-R253 PolarHBondContact O-NH2 3.17Å; R253-F300 WeakPolarHBondContact O-CA 3.44Å; R253-F300 WeakPolarHBondContact O-CD1 3.43Å; R253-I301 HydrophobicContact CG-CD1 3.98Å; R253-I301 HydrophobicContact CG-CG1 3.59Å; R253-I301 PolarHBondContact N-O 3.32Å; R253-I301 PolarHBondContact O-N 2.97Å; R253-I303 HydrophobicContact CG-CD1 4.49Å
254E90.1Very high85.4Confident61 Ų6146.3 Ų46.329%0.28523%0.233SC..EExtended strand (participates in β ladder)trans-64.9143.3165.5-72.7-173.9-177.100111.9Y86 F256 V298 F300Y86-E254 VanDerWaalsContact CE2-OE1 3.31Å; Y86-E254 WeakPolarHBondContact CE2-OE1 2.97Å; Y86-E254 VanDerWaalsContact OH-CD 3.3Å; Y86-E254 WeakPolarHBondContact OH-CG 3.49Å; Y86-E254 PolarHBondContact OH-OE1 3Å; E254-F256 PolarHBondContact O-N 3.4Å; E254-V298 HydrophobicContact CB-CG1 3.71Å; E254-V298 HydrophobicContact CG-CB 4.28Å; E254-V298 HydrophobicContact CG-CG1 3.76Å; E254-F300 HydrophobicContact CG-CD1 4.24Å; E254-F300 HydrophobicContact CG-CE1 3.75Å; E254-F300 HydrophobicContact CG-CZ 4.2Å
255E85.3Confident84.5Confident57 Ų5747.9 Ų47.927%0.26624%0.24SC..  trans-72.6113.7170.7-172.8-178.3-157.500110.3H20 K257 D299 I301H20-E255 IonicContact CE1-OE1 2.67Å; H20-E255 PolarHBondContact CE1-OE1 3.27Å; H20-E255 IonicContact CE1-OE2 3.82Å; E255-K257 HydrophobicContact CG-CG 4.41Å; E255-K257 PolarHBondContact O-N 3.11Å; E255-K257 WeakPolarHBondContact OE2-CE 3.29Å; E255-K257 IonicContact OE2-NZ 2.86Å; E255-D299 HydrophobicContact CB-CB 4.43Å; E255-D299 PolarHBondContact N-O 3.47Å; E255-I301 HydrophobicContact CB-CG2 4.18Å; E255-I301 HydrophobicContact CG-CG2 4.45Å
256F77Confident83.8Confident136 Ų13648 Ų4860%0.59624%0.241SC*.  trans-70.4104.7174.9180-100.3000111.2E254 P258E254-F256 PolarHBondContact O-N 3.4Å; F256-P258 HydrophobicContact CE1-CB 3.91Å; F256-P258 HydrophobicContact CZ-CB 4.43Å; F256-P258 WeakPolarHBondContact O-CD 3.38Å
257K72.6Confident83Confident82 Ų8248.3 Ų48.336%0.35724%0.244SC..  trans-96.5106.3173.6-64.6175.3-175.6172.60109.2E255 D299E255-K257 HydrophobicContact CG-CG 4.41Å; E255-K257 PolarHBondContact O-N 3.11Å; E255-K257 WeakPolarHBondContact OE2-CE 3.29Å; E255-K257 IonicContact OE2-NZ 2.86Å; K257-D299 IonicContact NZ-OD2 2.65Å; K257-D299 PolarHBondContact NZ-OD2 3.48Å
258P68Low82.1Confident77 Ų7750.1 Ų50.150%0.526%0.263SS..THydrogen-bonded Turntrans-64.6156.7-178.527-34.7000112F256 Q260F256-P258 HydrophobicContact CE1-CB 3.91Å; F256-P258 HydrophobicContact CZ-CB 4.43Å; F256-P258 WeakPolarHBondContact O-CD 3.38Å; P258-Q260 VanDerWaalsContact C-N 3.34Å; P258-Q260 PolarHBondContact O-N 3.41Å
259N67.5Low81Confident137 Ų13750.7 Ų50.773%0.73327%0.267SS*.THydrogen-bonded Turntrans57.138.5172-53.2-4.1000114.3
260Q67.7Low80Confident88 Ų8853 Ų5341%0.41128%0.279SS..  trans-62.3136.4165.1-66.6-51.7-55.400109.8P258P258-Q260 VanDerWaalsContact C-N 3.34Å; P258-Q260 PolarHBondContact O-N 3.41Å
261P67.5Low79Confident71 Ų7156.3 Ų56.346%0.46131%0.314SS..  trans-70135.4178.431.1-34.9000109.6M270P261-M270 HydrophobicContact CB-CE 3.96Å; P261-M270 HydrophobicContact CG-CE 4.03Å; P261-M270 VanDerWaalsContact O-CE 3.23Å; P261-M270 WeakPolarHBondContact O-CE 3.2Å
262K69.7Low78.2Confident104 Ų10458.2 Ų58.245%0.45232%0.323SS..  trans-106.6150.3175.9-65.4-173.8176.4-175.80110.3E68E68-K262 IonicContact OE1-NZ 3.72Å; E68-K262 PolarHBondContact OE1-NZ 3.41Å; E68-K262 VanDerWaalsContact OE2-CE 3.31Å; E68-K262 WeakPolarHBondContact OE2-CE 3.39Å; E68-K262 IonicContact OE2-NZ 2.98Å; E68-K262 PolarHBondContact OE2-NZ 3.26Å
263P75.4Confident77.3Confident51 Ų5164.4 Ų64.433%0.33135%0.352SS..BIsolated β-bridgetrans-70.1143173.128.2-33.5000111D265 G268 M270P263-D265 PolarHBondContact O-N 3.09Å; P263-G268 WeakPolarHBondContact CB-O 3.13Å; P263-M270 VanDerWaalsContact CA-SD 3.56Å; P263-M270 HydrophobicContact CB-SD 3.71Å; P263-M270 HydrophobicContact CG-SD 4.39Å
264C80.7Confident76.7Confident4 Ų465.1 Ų65.13%0.02736%0.357CS..  trans-62.2130176168.80000111L266 G268 Q269C264-L266 PolarHBondContact O-N 2.97Å; C264-L266 VanDerWaalsContact O-N 3.16Å; C264-L266 PolarHBondContact SG-N 3.23Å; C264-G268 VanDerWaalsContact O-CA 3.26Å; C264-G268 WeakPolarHBondContact O-CA 3.43Å; C264-G268 PolarHBondContact O-N 3.11Å; C264-Q269 WeakPolarHBondContact CB-O 3.48Å; C264-Q269 PolarHBondContact N-O 3.06Å
265D79.1Confident76.2Confident47 Ų4766.2 Ų66.225%0.25136%0.362SS..THydrogen-bonded Turntrans-64.5-20.4-176.3-92.1-52.1000115.1K130 I134 K152 P263K130-D265 WeakPolarHBondContact CE-OD2 3.36Å; K130-D265 IonicContact NZ-OD1 2.69Å; K130-D265 IonicContact NZ-OD2 2.75Å; K130-D265 PolarHBondContact NZ-OD2 2.94Å; I134-D265 HydrophobicContact CD1-CB 4.15Å; K152-D265 IonicContact NZ-OD1 3.37Å; K152-D265 PolarHBondContact NZ-OD1 3.35Å; P263-D265 PolarHBondContact O-N 3.09Å
266L82.1Confident76.1Confident6 Ų668.9 Ų68.93%0.03138%0.378CS..THydrogen-bonded Turntrans-90.9-51.8-178.8-67.5166.7000113.7I134 L137 R138 L141 L148 P149 C264 M274 C277I134-L266 HydrophobicContact CG2-CD2 4.02Å; L137-L266 HydrophobicContact CB-CD1 3.76Å; L137-L266 HydrophobicContact CB-CD2 4.37Å; L137-L266 HydrophobicContact CD1-CD1 4.11Å; R138-L266 HydrophobicContact CB-CD2 4.08Å; L141-L266 HydrophobicContact CD1-CD1 3.98Å; L148-L266 HydrophobicContact CD2-CB 4.23Å; P149-L266 WeakPolarHBondContact CD-O 3.31Å; P149-L266 WeakPolarHBondContact CG-O 3.43Å; C264-L266 PolarHBondContact O-N 2.97Å; C264-L266 VanDerWaalsContact O-N 3.16Å; C264-L266 PolarHBondContact SG-N 3.23Å; L266-M274 HydrophobicContact CD1-CB 4.05Å; L266-M274 VanDerWaalsContact CD1-O 3.3Å; L266-M274 WeakPolarHBondContact CD1-O 3.5Å; L266-M274 HydrophobicContact CG-CB 4.32Å; L266-C277 HydrophobicContact CB-CB 4.29Å; L266-C277 HydrophobicContact CD1-CB 3.88Å
267C81.8Confident76.4Confident11 Ų1162.8 Ų62.87%0.07435%0.352CS..THydrogen-bonded Turntrans-105.8-10.8-17570.30000114.6L148 Q269 H272L148-C267 HydrophobicContact CD2-CB 4.02Å; C267-Q269 VanDerWaalsContact C-N 3.27Å; C267-Q269 PolarHBondContact O-N 3.16Å; C267-Q269 PolarHBondContact SG-N 2.83Å; C267-H272 PolarHBondContact SG-CE1 2.72Å; C267-H272 PolarHBondContact SG-NE2 2.75Å
268G77Confident76.9Confident40 Ų4064.5 Ų64.541%0.41237%0.369SS..  trans78.1-3.7-178.200000116P263 C264P263-G268 WeakPolarHBondContact CB-O 3.13Å; C264-G268 VanDerWaalsContact O-CA 3.26Å; C264-G268 WeakPolarHBondContact O-CA 3.43Å; C264-G268 PolarHBondContact O-N 3.11Å
269Q75.5Confident77.3Confident61 Ų6161.1 Ų61.129%0.28535%0.348SS..  trans-79.8156.5-178.4-61.2-178.1-14.500112.9C264 C267C264-Q269 WeakPolarHBondContact CB-O 3.48Å; C264-Q269 PolarHBondContact N-O 3.06Å; C267-Q269 VanDerWaalsContact C-N 3.27Å; C267-Q269 PolarHBondContact O-N 3.16Å; C267-Q269 PolarHBondContact SG-N 2.83Å
270M77.1Confident77.5Confident50 Ų5055.8 Ų55.825%0.24632%0.323CS..BIsolated β-bridgetrans-86.3154.5176.4-55.8-60.1-75.900111.8P261 P263 L293P261-M270 HydrophobicContact CB-CE 3.96Å; P261-M270 HydrophobicContact CG-CE 4.03Å; P261-M270 VanDerWaalsContact O-CE 3.23Å; P261-M270 WeakPolarHBondContact O-CE 3.2Å; P263-M270 VanDerWaalsContact CA-SD 3.56Å; P263-M270 HydrophobicContact CB-SD 3.71Å; P263-M270 HydrophobicContact CG-SD 4.39Å; M270-L293 HydrophobicContact CE-CD2 3.89Å; M270-L293 HydrophobicContact SD-CD2 3.6Å; M270-L293 VanDerWaalsContact SD-CD2 3.6Å
271G76.6Confident77.3Confident77 Ų7755.9 Ų55.979%0.79433%0.332SS*.SBendtrans94.85.716500000116.6
272H80.9Confident76.8Confident42 Ų4260.1 Ų60.119%0.19434%0.343CS..SBendtrans-146.1157.2170.963.4-91.6000111.1C267 D276C267-H272 PolarHBondContact SG-CE1 2.72Å; C267-H272 PolarHBondContact SG-NE2 2.75Å; H272-D276 HydrophobicContact CB-CB 4.22Å
273E79.1Confident76.1Confident129 Ų12963 Ų6360%0.60336%0.358SS*.  trans-89.4166.8175.5-61.7-170.817200111.2E275 D276 C277E273-E275 PolarHBondContact O-N 3.3Å; E273-E275 VanDerWaalsContact O-N 3.13Å; E273-D276 PolarHBondContact O-N 3.25Å; E273-C277 PolarHBondContact O-N 3.39Å
274M80.2Confident74.8Confident36 Ų3669.1 Ų69.118%0.17738%0.382CS..G310 helixtrans-60.2-25.2-177.962.1-172.9-76.800113.8T133 I134 L137 L266T133-M274 HydrophobicContact CG2-CE 3.73Å; I134-M274 HydrophobicContact CG1-CE 3.7Å; L137-M274 HydrophobicContact CD1-CB 4.48Å; L137-M274 HydrophobicContact CD1-CE 3.74Å; L137-M274 HydrophobicContact CD1-CG 4.37Å; L266-M274 HydrophobicContact CD1-CB 4.05Å; L266-M274 VanDerWaalsContact CD1-O 3.3Å; L266-M274 WeakPolarHBondContact CD1-O 3.5Å; L266-M274 HydrophobicContact CG-CB 4.32Å
275E79.2Confident73.2Confident85 Ų8576 Ų7640%0.39742%0.419SS..G310 helixtrans-71.6-29.9176.6-71167.9-135.400112.9E273 W496E273-E275 PolarHBondContact O-N 3.3Å; E273-E275 VanDerWaalsContact O-N 3.13Å; E275-W496 WeakPolarHBondContact OE1-CB 3.5Å; E275-W496 WeakPolarHBondContact OE2-CB 3.44Å; E275-W496 PolarHBondContact OE2-N 3.41Å
276D82.8Confident71Confident112 Ų11278.6 Ų78.660%0.59944%0.44SS*.G310 helixtrans-97.24.3-179.2-63.4-48.1000113.1H272 E273 V278H272-D276 HydrophobicContact CB-CB 4.22Å; E273-D276 PolarHBondContact O-N 3.25Å; D276-V278 PolarHBondContact O-N 3.45Å
277C83.8Confident69Low8 Ų886.2 Ų86.25%0.05448%0.481CS..  trans-65.4125.3-176.1176.30000112.2L141 L266 E273 G279L141-C277 HydrophobicContact CD1-CB 4.13Å; L141-C277 VanDerWaalsContact CD2-O 3.23Å; L141-C277 WeakPolarHBondContact CD2-O 3.27Å; L266-C277 HydrophobicContact CB-CB 4.29Å; L266-C277 HydrophobicContact CD1-CB 3.88Å; E273-C277 PolarHBondContact O-N 3.39Å; C277-G279 PolarHBondContact SG-N 3.41Å; C277-G279 VanDerWaalsContact SG-N 3.44Å
278V82.7Confident66.9Low119 Ų11994.6 Ų94.672%0.72152%0.519SS*.  trans-101.1-2.9175.1-64.20000114A146 D276A146-V278 WeakPolarHBondContact CB-O 3.37Å; D276-V278 PolarHBondContact O-N 3.45Å
279G77.3Confident65.4Low6 Ų695.4 Ų95.46%0.06253%0.528CS..  trans101.7174.3-174.400000113.7H147 C277H147-G279 WeakPolarHBondContact O-CA 3.39Å; C277-G279 PolarHBondContact SG-N 3.41Å; C277-G279 VanDerWaalsContact SG-N 3.44Å
280A72.6Confident63.9Low25 Ų2597.4 Ų97.421%0.20755%0.546CS..BIsolated β-bridgetrans-84.4151.517100000110.7H147H147-A280 PolarHBondContact O-N 3.05Å
281P62.6Low62.2Low90 Ų9099.4 Ų99.458%0.58456%0.562SS**PPolyproline II helixtrans-59.6153.2169.827.5-35.5000110.6
282K57.6Low60.7Low159 Ų159101.4 Ų101.469%0.69156%0.562SS**PPolyproline II helixtrans-69.2144.1177.7-64.6-178.7178.7-179.10110.1E284K282-E284 PolarHBondContact O-N 3.08Å
283E54.4Low59.2Low166 Ų166102 Ų10278%0.77657%0.566SS**THydrogen-bonded Turntrans-65.96.9-171.1-58.7-178.5135.400116
284E48.9Very low57.4Low178 Ų178100.1 Ų100.183%0.83257%0.565SS**THydrogen-bonded Turntrans-82.1-18.9-176.3-66-177.5158.400113.6K282 S286K282-E284 PolarHBondContact O-N 3.08Å; E284-S286 PolarHBondContact O-N 2.88Å; E284-S286 VanDerWaalsContact O-N 3.16Å
285D45.2Very low55.8Low150 Ų150103.6 Ų103.680%0.80259%0.593SS**SBendtrans-87.174.3171.5-84.7-41000111.7N287D285-N287 PolarHBondContact O-N 3.3Å
286S33.7Very low54.6Low100 Ų100102.7 Ų102.770%0.69961%0.607SS**THydrogen-bonded Turntrans-7381.2-179.5480000113.5E284E284-S286 PolarHBondContact O-N 2.88Å; E284-S286 VanDerWaalsContact O-N 3.16Å
287N40.3Very low53.9Low166 Ų166100.1 Ų100.189%0.88859%0.593SS**THydrogen-bonded Turntrans-171.7-8150.2-99-42.4000115.8D285D285-N287 PolarHBondContact O-N 3.3Å
288E37.5Very low53.6Low187 Ų187101.3 Ų101.387%0.87460%0.599SS**  trans-111.489.7179.9-65.4-167.2171.100111.6
289G45.5Very low53.9Low58 Ų5898.9 Ų98.960%0.59858%0.583SS**PPolyproline II helixtrans-62.2164.9162.500000111.3
290P44.9Very low54.6Low103 Ų10399 Ų9967%0.66958%0.581SS**SBendtrans-53.4134.3176.323.9-33.5000109.5
291P41Very low55.7Low91 Ų9198 Ų9859%0.59157%0.572SS**PPolyproline II helixtrans-56.5135.9-175.422.6-33.3000109.2L293P291-L293 PolarHBondContact O-N 2.92Å
292P44.6Very low57.3Low120 Ų12093.8 Ų93.878%0.77955%0.545SS*.PPolyproline II helixtrans-55.4133.9-176.522.1-32.8000109.6
293L48.5Very low59.2Low53 Ų5386.2 Ų86.228%0.27751%0.512SS..PPolyproline II helixtrans-48.4134.8173.2-74.8162.2000108.6P71 M270 P291 S295P71-L293 HydrophobicContact CG-CD1 4.41Å; M270-L293 HydrophobicContact CE-CD2 3.89Å; M270-L293 HydrophobicContact SD-CD2 3.6Å; M270-L293 VanDerWaalsContact SD-CD2 3.6Å; P291-L293 PolarHBondContact O-N 2.92Å; L293-S295 PolarHBondContact O-N 3.38Å
294P42.4Very low61.2Low91 Ų9180.3 Ų80.359%0.59148%0.483SS*.  trans-59.3103.4-176.523.2-32.8000109.5G296P294-G296 PolarHBondContact O-N 3.12Å
295S46.1Very low63.5Low109 Ų10972 Ų7276%0.76244%0.444SS*.  trans-77.544.1-174.544.80000112.3L293 D297L293-S295 PolarHBondContact O-N 3.38Å; S295-D297 PolarHBondContact O-N 3.43Å
296G55.3Low65.9Low66 Ų6665.7 Ų65.768%0.6841%0.41SS*.  trans-74.8104.4164.600000108.9P294 V298P294-G296 PolarHBondContact O-N 3.12Å; G296-V298 PolarHBondContact O-N 3.13Å
297D66.4Low69Low58 Ų5860.9 Ų60.931%0.3138%0.377SS..PPolyproline II helixtrans-52.4139.1168.7-68.3-41.7000110.1R25 S295 D299R25-D297 IonicContact CZ-OD2 2.69Å; R25-D297 VanDerWaalsContact CZ-OD2 3.24Å; R25-D297 IonicContact NH1-OD2 3.45Å; R25-D297 PolarHBondContact NH1-OD2 3.02Å; R25-D297 IonicContact NH2-OD2 3.16Å; S295-D297 PolarHBondContact O-N 3.43Å; D297-D299 PolarHBondContact O-N 2.96Å
298V78.7Confident71.7Confident32 Ų3253 Ų5319%0.19433%0.334CS..PPolyproline II helixtrans-66.6131.8177.8-169.10000109.2R89 E254 G296R89-V298 PolarHBondContact NH1-O 3.47Å; R89-V298 VanDerWaalsContact NH1-O 3.14Å; R89-V298 PolarHBondContact NH2-O 3.05Å; E254-V298 HydrophobicContact CB-CG1 3.71Å; E254-V298 HydrophobicContact CG-CB 4.28Å; E254-V298 HydrophobicContact CG-CG1 3.76Å; G296-V298 PolarHBondContact O-N 3.13Å
299D88.1Confident74.6Confident69 Ų6944.6 Ų44.637%0.36930%0.295SS..PPolyproline II helixtrans-78.3144.9177.8-67.4-56.6000110.3E255 K257 D297E255-D299 HydrophobicContact CB-CB 4.43Å; E255-D299 PolarHBondContact N-O 3.47Å; K257-D299 IonicContact NZ-OD2 2.65Å; K257-D299 PolarHBondContact NZ-OD2 3.48Å; D297-D299 PolarHBondContact O-N 2.96Å
300F93.1Very high77Confident7 Ų743.9 Ų43.93%0.03128%0.276CS..EExtended strand (participates in β ladder)trans-98.8147.1174.1-74.4-81000111.5C21 Y86 R89 L90 I93 I252 R253 E254C21-F300 HydrophobicContact CB-CB 3.91Å; C21-F300 WeakPolarHBondContact CB-O 3.2Å; C21-F300 PolarHBondContact N-O 2.76Å; C21-F300 VanDerWaalsContact SG-C 3.59Å; Y86-F300 HydrophobicContact CE1-CZ 4.21Å; Y86-F300 AromaticContact CZ-CZ 3.86Å; R89-F300 HydrophobicContact CG-CE2 4.37Å; L90-F300 HydrophobicContact CD2-CD1 4.19Å; L90-F300 HydrophobicContact CD2-CE1 3.56Å; L90-F300 HydrophobicContact CD2-CE2 4.48Å; L90-F300 HydrophobicContact CD2-CZ 3.73Å; L90-F300 HydrophobicContact CG-CZ 4.49Å; I93-F300 HydrophobicContact CD1-CB 4.42Å; I93-F300 HydrophobicContact CD1-CD2 3.42Å; I93-F300 VanDerWaalsContact CD1-CD2 3.42Å; I93-F300 HydrophobicContact CD1-CE2 3.88Å; I93-F300 HydrophobicContact CD1-CG 4.08Å; I252-F300 HydrophobicContact CD1-CB 4.27Å; I252-F300 HydrophobicContact CD1-CD1 4.21Å; I252-F300 HydrophobicContact CD1-CG 4.35Å; I252-F300 HydrophobicContact CG1-CB 4.31Å; I252-F300 HydrophobicContact CG1-CD1 4.02Å; I252-F300 HydrophobicContact CG1-CG 4.48Å; R253-F300 WeakPolarHBondContact O-CA 3.44Å; R253-F300 WeakPolarHBondContact O-CD1 3.43Å; E254-F300 HydrophobicContact CG-CD1 4.24Å; E254-F300 HydrophobicContact CG-CE1 3.75Å; E254-F300 HydrophobicContact CG-CZ 4.2Å
301I94.9Very high79.5Confident4 Ų439.7 Ų39.72%0.02125%0.247CC..EExtended strand (participates in β ladder)trans-126.8145.1172.556.8170.8000110.5F7 V18 I252 R253 E255F7-I301 HydrophobicContact CE1-CD1 4.1Å; F7-I301 HydrophobicContact CZ-CD1 3.7Å; V18-I301 HydrophobicContact CG1-CB 4.15Å; V18-I301 HydrophobicContact CG1-CD1 4.05Å; V18-I301 HydrophobicContact CG1-CG2 4.27Å; I252-I301 WeakPolarHBondContact CA-O 3.33Å; R253-I301 HydrophobicContact CG-CD1 3.98Å; R253-I301 HydrophobicContact CG-CG1 3.59Å; R253-I301 PolarHBondContact N-O 3.32Å; R253-I301 PolarHBondContact O-N 2.97Å; E255-I301 HydrophobicContact CB-CG2 4.18Å; E255-I301 HydrophobicContact CG-CG2 4.45Å
302F96.6Very high82.2Confident3 Ų335.4 Ų35.41%0.01322%0.219CC..EExtended strand (participates in β ladder)trans-93.5139.9165.6-69.4-53.6000110.8V18 T19 C21 N46 F50 I93 V94 T250 I251 I252V18-F302 WeakPolarHBondContact CA-O 3.26Å; T19-F302 PolarHBondContact N-O 2.65Å; T19-F302 PolarHBondContact O-N 2.96Å; C21-F302 HydrophobicContact CB-CE2 4.33Å; C21-F302 VanDerWaalsContact SG-CD2 3.53Å; C21-F302 VanDerWaalsContact SG-CE2 3.58Å; N46-F302 HydrophobicContact CB-CE2 4.12Å; F50-F302 HydrophobicContact CE2-CE1 4.26Å; F50-F302 HydrophobicContact CE2-CE2 4.37Å; F50-F302 AromaticContact CE2-CZ 3.81Å; F50-F302 HydrophobicContact CE2-CZ 3.81Å; F50-F302 HydrophobicContact CZ-CE1 4.09Å; F50-F302 HydrophobicContact CZ-CE2 4.42Å; F50-F302 AromaticContact CZ-CZ 3.98Å; F50-F302 HydrophobicContact CZ-CZ 3.98Å; I93-F302 HydrophobicContact CG2-CZ 4.28Å; V94-F302 HydrophobicContact CG2-CE1 4.34Å; T250-F302 HydrophobicContact CG2-CB 3.7Å; T250-F302 HydrophobicContact CG2-CD1 3.53Å; T250-F302 HydrophobicContact CG2-CE1 4.35Å; T250-F302 HydrophobicContact CG2-CG 3.82Å; I251-F302 CarbonylContact O-C 3.59Å; I251-F302 VanDerWaalsContact O-CA 3.28Å; I251-F302 WeakPolarHBondContact O-CA 3.45Å; I252-F302 HydrophobicContact CB-CD1 3.82Å; I252-F302 HydrophobicContact CB-CE1 3.82Å; I252-F302 HydrophobicContact CD1-CD1 4.41Å; I252-F302 HydrophobicContact CD1-CE1 3.81Å; I252-F302 HydrophobicContact CD1-CZ 4.38Å; I252-F302 HydrophobicContact CG1-CD1 4.09Å; I252-F302 HydrophobicContact CG1-CE1 3.97Å
303I96.3Very high84.6Confident0 Ų030.7 Ų30.70%019%0.19CC..EExtended strand (participates in β ladder)trans-110.2112.9166.7-50.5173.6000107.5F7 I17 I238 T250 I251 R253 L305F7-I303 HydrophobicContact CD2-CD1 3.88Å; F7-I303 HydrophobicContact CE2-CD1 3.43Å; F7-I303 VanDerWaalsContact CE2-CD1 3.43Å; F7-I303 HydrophobicContact CE2-CG1 3.88Å; F7-I303 HydrophobicContact CZ-CD1 4.37Å; I17-I303 HydrophobicContact CB-CG2 4.46Å; I17-I303 HydrophobicContact CD1-CG2 4.13Å; I17-I303 HydrophobicContact CG1-CG2 4.18Å; I17-I303 CarbonylContact O-C 3.51Å; I17-I303 WeakPolarHBondContact O-CA 3.45Å; I238-I303 HydrophobicContact CD1-CD1 4.03Å; I238-I303 HydrophobicContact CG1-CD1 4.44Å; T250-I303 WeakPolarHBondContact CA-O 3.25Å; I251-I303 HydrophobicContact CB-CB 4.27Å; I251-I303 PolarHBondContact N-O 2.94Å; I251-I303 PolarHBondContact O-N 3.21Å; R253-I303 HydrophobicContact CG-CD1 4.49Å; I303-L305 HydrophobicContact CG2-CD2 4.25Å; I303-L305 PolarHBondContact O-N 2.87Å
304R96.8Very high86.8Confident42 Ų4234.7 Ų34.716%0.15821%0.207CC..EExtended strand (participates in β ladder)trans-94.897.9-170.2-62.7176.870.1-1372.9110.3I17 T19 T250 N306 V307 L308I17-R304 PolarHBondContact O-N 3.04Å; T19-R304 WeakPolarHBondContact OG1-CD 3.43Å; T250-R304 HydrophobicContact CG2-CG 4.48Å; R304-N306 VanDerWaalsContact C-N 3.25Å; R304-N306 WeakPolarHBondContact CB-OD1 3.47Å; R304-N306 PolarHBondContact O-N 3.49Å; R304-V307 HydrophobicContact CB-CB 4.36Å; R304-V307 HydrophobicContact CB-CG2 3.94Å; R304-V307 WeakPolarHBondContact O-CB 3.43Å; R304-V307 PolarHBondContact O-N 2.61Å; R304-L308 PolarHBondContact O-N 3.47Å
305L97.4Very high89.2Confident2 Ų232 Ų321%0.0119%0.188CC..Hα-helixtrans-67.7-27.2-173.9-56.5-170.8000112.2I238 L242 F249 I251 I303 V307 L308 R309I238-L305 HydrophobicContact CG2-CD2 4.01Å; L242-L305 HydrophobicContact CD2-CB 4.41Å; L242-L305 HydrophobicContact CG-CD1 4.48Å; F249-L305 HydrophobicContact CB-CB 4.39Å; F249-L305 HydrophobicContact CB-CD1 4.17Å; F249-L305 HydrophobicContact CD1-CD1 3.56Å; F249-L305 HydrophobicContact CD1-CG 4.3Å; F249-L305 HydrophobicContact CE1-CD1 4.28Å; F249-L305 HydrophobicContact CG-CD1 4.11Å; F249-L305 WeakPolarHBondContact O-CB 3.48Å; F249-L305 PolarHBondContact O-N 3.27Å; I251-L305 HydrophobicContact CD1-CD1 4.2Å; I251-L305 HydrophobicContact CD1-CD2 4.17Å; I251-L305 HydrophobicContact CD1-CG 4.45Å; I303-L305 HydrophobicContact CG2-CD2 4.25Å; I303-L305 PolarHBondContact O-N 2.87Å; L305-V307 PolarHBondContact O-N 2.86Å; L305-L308 HydrophobicContact CD2-CD2 4.21Å; L305-L308 WeakPolarHBondContact O-CB 3.17Å; L305-L308 PolarHBondContact O-N 2.97Å; L305-L308 VanDerWaalsContact O-N 3.15Å; L305-R309 VanDerWaalsContact O-CG 3.27Å; L305-R309 WeakPolarHBondContact O-CG 3.47Å; L305-R309 PolarHBondContact O-N 3.49Å
306N96.7Very high91.5Very high18 Ų1826.8 Ų26.810%0.09615%0.152CC..Hα-helixtrans-61.1-27.7171.473.4-39.8000113.8P247 R304 Q310 P861P247-N306 WeakPolarHBondContact O-CB 3.38Å; R304-N306 VanDerWaalsContact C-N 3.25Å; R304-N306 WeakPolarHBondContact CB-OD1 3.47Å; R304-N306 PolarHBondContact O-N 3.49Å; N306-Q310 PolarHBondContact O-NE2 3.39Å; N306-P861 HydrophobicContact CB-CB 4.3Å; N306-P861 HydrophobicContact CB-CG 3.97Å
307V97.5Very high93.3Very high0 Ų030.8 Ų30.80%015%0.15CC..Hα-helixtrans-83.1-38.5172.8-174.90000110.4I17 R304 L305 R309 Q310 Y311 V864 L866I17-V307 HydrophobicContact CG2-CB 4.35Å; I17-V307 HydrophobicContact CG2-CG1 4.28Å; R304-V307 HydrophobicContact CB-CB 4.36Å; R304-V307 HydrophobicContact CB-CG2 3.94Å; R304-V307 WeakPolarHBondContact O-CB 3.43Å; R304-V307 PolarHBondContact O-N 2.61Å; L305-V307 PolarHBondContact O-N 2.86Å; V307-R309 VanDerWaalsContact C-N 3.29Å; V307-R309 PolarHBondContact O-N 2.68Å; V307-Q310 WeakPolarHBondContact O-CB 3.36Å; V307-Q310 PolarHBondContact O-N 2.64Å; V307-Q310 VanDerWaalsContact O-N 3.1Å; V307-Y311 HydrophobicContact CG1-CD2 4.13Å; V307-Y311 HydrophobicContact CG1-CE2 3.84Å; V307-Y311 WeakPolarHBondContact O-CD2 3.43Å; V307-Y311 PolarHBondContact O-N 3.38Å; V307-Y311 VanDerWaalsContact O-N 3.12Å; V307-V864 HydrophobicContact CG2-CB 4.32Å; V307-V864 HydrophobicContact CG2-CG2 4.05Å; V307-L866 HydrophobicContact CG1-CD2 3.73Å
308L97.4Very high94.4Very high0 Ų028.8 Ų28.80%014%0.14CC..Hα-helixtrans-58.4-42.3173.6-178.556.5000111.4L10 Y14 I17 I238 L242 R304 L305 Q310 Y311 L312L10-L308 HydrophobicContact CD1-CD1 4.09Å; L10-L308 HydrophobicContact CD2-CD2 4.34Å; Y14-L308 HydrophobicContact CD2-CD1 3.4Å; Y14-L308 VanDerWaalsContact CD2-CD1 3.4Å; Y14-L308 HydrophobicContact CE2-CD1 3.79Å; Y14-L308 HydrophobicContact CG-CD1 4.14Å; I17-L308 HydrophobicContact CG2-CB 3.9Å; I17-L308 HydrophobicContact CG2-CD1 4.36Å; I238-L308 HydrophobicContact CG2-CD2 3.76Å; L242-L308 HydrophobicContact CD1-CD2 3.93Å; R304-L308 PolarHBondContact O-N 3.47Å; L305-L308 HydrophobicContact CD2-CD2 4.21Å; L305-L308 WeakPolarHBondContact O-CB 3.17Å; L305-L308 PolarHBondContact O-N 2.97Å; L305-L308 VanDerWaalsContact O-N 3.15Å; L308-Q310 VanDerWaalsContact C-N 3.28Å; L308-Q310 PolarHBondContact O-N 3.44Å; L308-Y311 WeakPolarHBondContact O-CB 3.26Å; L308-Y311 PolarHBondContact O-N 3.07Å; L308-Y311 VanDerWaalsContact O-N 3.14Å; L308-L312 HydrophobicContact CD1-CG 4.25Å; L308-L312 HydrophobicContact CG-CD1 4.18Å; L308-L312 HydrophobicContact CG-CG 4.37Å; L308-L312 WeakPolarHBondContact O-CG 3.36Å; L308-L312 PolarHBondContact O-N 2.78Å
309R97.8Very high94.7Very high10 Ų1031 Ų314%0.03816%0.162CC..Hα-helixtrans-59.2-35.5174.9-71172.458.3102.5-2.7112.8L242 L305 V307 A313 E328 I331L242-R309 HydrophobicContact CD2-CG 3.53Å; L305-R309 VanDerWaalsContact O-CG 3.27Å; L305-R309 WeakPolarHBondContact O-CG 3.47Å; L305-R309 PolarHBondContact O-N 3.49Å; V307-R309 VanDerWaalsContact C-N 3.29Å; V307-R309 PolarHBondContact O-N 2.68Å; R309-A313 VanDerWaalsContact O-CB 3.31Å; R309-A313 WeakPolarHBondContact O-CB 3.1Å; R309-A313 PolarHBondContact O-N 3.24Å; R309-E328 IonicContact CZ-OE1 3.77Å; R309-E328 IonicContact CZ-OE2 3.27Å; R309-E328 VanDerWaalsContact CZ-OE2 3.26Å; R309-E328 IonicContact NH1-OE1 3.9Å; R309-E328 IonicContact NH1-OE2 2.66Å; R309-E328 PolarHBondContact NH1-OE2 3.21Å; R309-E328 IonicContact NH2-OE1 3.72Å; R309-E328 PolarHBondContact NH2-OE1 3.49Å; R309-E328 IonicContact NH2-OE2 3.99Å; R309-E328 PolarHBondContact NH2-OE2 3.2Å; R309-I331 HydrophobicContact CB-CD1 4.4Å; R309-I331 HydrophobicContact CG-CD1 3.79Å
310Q97.2Very high94.5Very high44 Ų4431.6 Ų31.621%0.20618%0.183CC..Hα-helixtrans-67.9-44173.6-70.1167.66400111.6N306 V307 L308 A313 E314 L866N306-Q310 PolarHBondContact O-NE2 3.39Å; V307-Q310 WeakPolarHBondContact O-CB 3.36Å; V307-Q310 PolarHBondContact O-N 2.64Å; V307-Q310 VanDerWaalsContact O-N 3.1Å; L308-Q310 VanDerWaalsContact C-N 3.28Å; L308-Q310 PolarHBondContact O-N 3.44Å; Q310-A313 PolarHBondContact O-N 3.46Å; Q310-E314 PolarHBondContact O-N 3.35Å; Q310-L866 HydrophobicContact CB-CD1 4.15Å; Q310-L866 HydrophobicContact CB-CD2 4.22Å
311Y97.3Very high94.2Very high15 Ų1532.8 Ų32.86%0.05919%0.19CC..Hα-helixtrans-61.3-43.9173.5-77.9-74.2000112.9Y14 S16 I17 V307 L308 A313 E314 D315 L866 Q867Y14-Y311 AromaticContact CD1-CD1 3.55Å; Y14-Y311 HydrophobicContact CD1-CD1 3.55Å; Y14-Y311 HydrophobicContact CD1-CD2 4.18Å; Y14-Y311 HydrophobicContact CD1-CE1 4.2Å; Y14-Y311 AromaticContact CD1-CG 3.53Å; Y14-Y311 HydrophobicContact CD1-CG 3.53Å; Y14-Y311 HydrophobicContact CE1-CD1 4.33Å; Y14-Y311 HydrophobicContact CE1-CG 4.3Å; Y14-Y311 HydrophobicContact CG-CD1 4.28Å; Y14-Y311 HydrophobicContact CG-CD2 4.12Å; Y14-Y311 AromaticContact CG-CG 3.92Å; Y14-Y311 HydrophobicContact CG-CG 3.92Å; S16-Y311 WeakPolarHBondContact CB-OH 3.42Å; S16-Y311 PolarHBondContact N-OH 2.79Å; S16-Y311 PolarHBondContact OG-OH 2.83Å; I17-Y311 HydrophobicContact CG2-CD2 3.9Å; I17-Y311 HydrophobicContact CG2-CE2 3.9Å; V307-Y311 HydrophobicContact CG1-CD2 4.13Å; V307-Y311 HydrophobicContact CG1-CE2 3.84Å; V307-Y311 WeakPolarHBondContact O-CD2 3.43Å; V307-Y311 PolarHBondContact O-N 3.38Å; V307-Y311 VanDerWaalsContact O-N 3.12Å; L308-Y311 WeakPolarHBondContact O-CB 3.26Å; L308-Y311 PolarHBondContact O-N 3.07Å; L308-Y311 VanDerWaalsContact O-N 3.14Å; Y311-A313 VanDerWaalsContact C-N 3.33Å; Y311-A313 PolarHBondContact O-N 2.67Å; Y311-E314 PolarHBondContact O-N 2.88Å; Y311-D315 PolarHBondContact O-N 3.42Å; Y311-L866 HydrophobicContact CD1-CB 4.36Å; Y311-L866 HydrophobicContact CD1-CD1 4Å; Y311-L866 HydrophobicContact CD2-CD2 4.08Å; Y311-L866 HydrophobicContact CE1-CB 3.77Å; Y311-L866 HydrophobicContact CE1-CD1 4.26Å; Y311-L866 HydrophobicContact CE1-CD2 4.35Å; Y311-L866 HydrophobicContact CE1-CG 4.35Å; Y311-L866 HydrophobicContact CE2-CD2 3.84Å; Y311-L866 HydrophobicContact CG-CD1 4.23Å; Y311-L866 HydrophobicContact CG-CD2 4.45Å; Y311-Q867 PolarHBondContact OH-O 3.47Å
312L96.6Very high94Very high0 Ų038.5 Ų38.50%023%0.225CC..Hα-helixtrans-65-37.9178.3-66.8177.9000111.4Y14 L242 L308 E314 D315 L316 I331 W334Y14-L312 HydrophobicContact CE2-CD2 4.36Å; L242-L312 HydrophobicContact CD1-CD1 4.24Å; L308-L312 HydrophobicContact CD1-CG 4.25Å; L308-L312 HydrophobicContact CG-CD1 4.18Å; L308-L312 HydrophobicContact CG-CG 4.37Å; L308-L312 WeakPolarHBondContact O-CG 3.36Å; L308-L312 PolarHBondContact O-N 2.78Å; L312-E314 VanDerWaalsContact C-N 3.26Å; L312-E314 PolarHBondContact O-N 2.92Å; L312-D315 PolarHBondContact O-N 3.06Å; L312-L316 HydrophobicContact CB-CD1 4.31Å; L312-L316 HydrophobicContact CD2-CD1 4.15Å; L312-L316 VanDerWaalsContact O-CB 3.26Å; L312-L316 WeakPolarHBondContact O-CB 3.22Å; L312-L316 PolarHBondContact O-N 3.14Å; L312-I331 HydrophobicContact CD1-CG1 4.35Å; L312-W334 HydrophobicContact CD1-CD2 4.01Å; L312-W334 HydrophobicContact CD1-CE3 3.85Å; L312-W334 HydrophobicContact CD1-CG 4.49Å; L312-W334 HydrophobicContact CD1-CZ3 4.19Å; L312-W334 HydrophobicContact CD2-CD2 3.87Å; L312-W334 HydrophobicContact CD2-CE3 4.46Å; L312-W334 HydrophobicContact CD2-CG 4.11Å; L312-W334 HydrophobicContact CD2-CZ2 4.09Å
313A95.7Very high93.7Very high22 Ų2240.9 Ų40.918%0.18224%0.235CC..Hα-helixtrans-62.4-30.1174.500000113.5R309 Q310 Y311 K317 W325 L327R309-A313 VanDerWaalsContact O-CB 3.31Å; R309-A313 WeakPolarHBondContact O-CB 3.1Å; R309-A313 PolarHBondContact O-N 3.24Å; Q310-A313 PolarHBondContact O-N 3.46Å; Y311-A313 VanDerWaalsContact C-N 3.33Å; Y311-A313 PolarHBondContact O-N 2.67Å; A313-K317 WeakPolarHBondContact O-CB 3.19Å; A313-W325 HydrophobicContact CB-CH2 4.05Å; A313-L327 HydrophobicContact CB-CD1 3.73Å; A313-L327 HydrophobicContact CB-CD2 3.93Å; A313-L327 HydrophobicContact CB-CG 4.46Å
314E93.5Very high93.5Very high136 Ų13649.2 Ų49.264%0.63627%0.274SS*.Hα-helixtrans-82.1-49.8173.7-69-171.8170.200112.3Q310 Y311 L312 K317Q310-E314 PolarHBondContact O-N 3.35Å; Y311-E314 PolarHBondContact O-N 2.88Å; L312-E314 VanDerWaalsContact C-N 3.26Å; L312-E314 PolarHBondContact O-N 2.92Å; E314-K317 PolarHBondContact O-N 3.29Å
315D93.2Very high93.4Very high34 Ų3450.9 Ų50.918%0.18228%0.281CS..Hα-helixtrans-69.5-35.9-174.9-168.518.3000112.4K13 Y14 Y311 L312 K367K13-D315 VanDerWaalsContact CE-OD2 3.25Å; K13-D315 WeakPolarHBondContact CE-OD2 3.01Å; K13-D315 IonicContact NZ-OD2 3.33Å; K13-D315 PolarHBondContact NZ-OD2 3.46Å; Y14-D315 PolarHBondContact OH-OD2 3.4Å; Y311-D315 PolarHBondContact O-N 3.42Å; L312-D315 PolarHBondContact O-N 3.06Å; D315-K367 WeakPolarHBondContact O-CE 3.37Å; D315-K367 PolarHBondContact O-NZ 2.92Å; D315-K367 IonicContact OD1-NZ 2.88Å
316L95Very high93.3Very high0 Ų053.9 Ų53.90%030%0.297CS..THydrogen-bonded Turntrans-95.510.9-178.6-55.9174.7000113.4L312 L318 V330 W334 I363L312-L316 HydrophobicContact CB-CD1 4.31Å; L312-L316 HydrophobicContact CD2-CD1 4.15Å; L312-L316 VanDerWaalsContact O-CB 3.26Å; L312-L316 WeakPolarHBondContact O-CB 3.22Å; L312-L316 PolarHBondContact O-N 3.14Å; L316-L318 PolarHBondContact O-N 3.46Å; L316-V330 HydrophobicContact CB-CG1 3.41Å; L316-V330 VanDerWaalsContact CB-CG1 3.41Å; L316-V330 HydrophobicContact CD1-CG1 3.46Å; L316-V330 VanDerWaalsContact CD1-CG1 3.46Å; L316-V330 HydrophobicContact CG-CG1 4.07Å; L316-W334 HydrophobicContact CD1-CB 3.84Å; L316-W334 HydrophobicContact CD1-CG 3.96Å; L316-I363 HydrophobicContact CD2-CB 4.38Å; L316-I363 HydrophobicContact CD2-CD1 4.19Å; L316-I363 HydrophobicContact CD2-CG1 3.95Å; L316-I363 HydrophobicContact CD2-CG2 3.63Å
317K93.2Very high93.3Very high150 Ų15054.5 Ų54.565%0.65230%0.3SS*.PPolyproline II helixtrans-65.9122.2177.1-165.2163.2-174.2165.70111.1A313 E314A313-K317 WeakPolarHBondContact O-CB 3.19Å; E314-K317 PolarHBondContact O-N 3.29Å
318L89.2Confident93.3Very high17 Ų1755 Ų559%0.08930%0.303CS..PPolyproline II helixtrans-102130.6177.2-72.2173.7000111.1L316 I321 K367 V370 Q371L316-L318 PolarHBondContact O-N 3.46Å; L318-I321 HydrophobicContact CB-CG2 3.68Å; L318-I321 HydrophobicContact CD1-CG2 3.96Å; L318-I321 HydrophobicContact CG-CG2 4.42Å; L318-K367 HydrophobicContact CD2-CB 3.7Å; L318-K367 HydrophobicContact CD2-CG 3.69Å; L318-V370 HydrophobicContact CD1-CB 3.96Å; L318-V370 HydrophobicContact CD1-CG1 3.59Å; L318-Q371 HydrophobicContact CD2-CG 4.08Å
319A85.2Confident93.2Very high79 Ų7957 Ų5765%0.65331%0.31SS*.SBendtrans-95.6144.616800000110.1Q371A319-Q371 PolarHBondContact O-NE2 2.8Å
320G83.4Confident93.2Very high80 Ų8056.5 Ų56.583%0.82531%0.308SS*.SBendtrans75.120.6171.900000116.2
321I88.2Confident93.2Very high32 Ų3254.4 Ų54.416%0.16430%0.298CS..  trans-72.8155.3171.360.9167.2000111.5L318 F323 W325 Q371L318-I321 HydrophobicContact CB-CG2 3.68Å; L318-I321 HydrophobicContact CD1-CG2 3.96Å; L318-I321 HydrophobicContact CG-CG2 4.42Å; I321-F323 HydrophobicContact CB-CD1 4.2Å; I321-F323 HydrophobicContact CB-CE1 3.88Å; I321-F323 HydrophobicContact CB-CZ 4.33Å; I321-F323 HydrophobicContact CD1-CD2 4.24Å; I321-F323 HydrophobicContact CD1-CE1 4.25Å; I321-F323 HydrophobicContact CD1-CE2 3.99Å; I321-F323 HydrophobicContact CD1-CG 4.48Å; I321-F323 HydrophobicContact CD1-CZ 3.97Å; I321-F323 WeakPolarHBondContact CD1-O 3.23Å; I321-F323 WeakPolarHBondContact CG1-O 3.37Å; I321-F323 HydrophobicContact CG2-CE1 4.25Å; I321-F323 HydrophobicContact CG2-CZ 4.47Å; I321-W325 HydrophobicContact CD1-CB 3.81Å; I321-W325 HydrophobicContact CD1-CG 4.46Å; I321-Q371 HydrophobicContact CG2-CG 4.05Å
322T89Confident93.2Very high124 Ų12453.7 Ų53.776%0.76130%0.296SS*.SBendtrans-92.35.7-175.652.70000114.4
323F91.6Very high93.3Very high53 Ų5353.7 Ų53.723%0.23230%0.296CS..SBendtrans-143.9172.6-173.961.5-81.5000109.8I321 V370 G374 G375 W376I321-F323 HydrophobicContact CB-CD1 4.2Å; I321-F323 HydrophobicContact CB-CE1 3.88Å; I321-F323 HydrophobicContact CB-CZ 4.33Å; I321-F323 HydrophobicContact CD1-CD2 4.24Å; I321-F323 HydrophobicContact CD1-CE1 4.25Å; I321-F323 HydrophobicContact CD1-CE2 3.99Å; I321-F323 HydrophobicContact CD1-CG 4.48Å; I321-F323 HydrophobicContact CD1-CZ 3.97Å; I321-F323 WeakPolarHBondContact CD1-O 3.23Å; I321-F323 WeakPolarHBondContact CG1-O 3.37Å; I321-F323 HydrophobicContact CG2-CE1 4.25Å; I321-F323 HydrophobicContact CG2-CZ 4.47Å; F323-V370 HydrophobicContact CE1-CG1 4.21Å; F323-V370 HydrophobicContact CZ-CG1 3.6Å; F323-G374 VanDerWaalsContact CD1-C 3.43Å; F323-G375 VanDerWaalsContact CE1-N 3.35Å; F323-W376 HydrophobicContact CD2-CZ2 4.3Å; F323-W376 HydrophobicContact CE2-CD2 4.14Å; F323-W376 AromaticContact CE2-CE2 3.66Å; F323-W376 HydrophobicContact CE2-CE3 4.41Å; F323-W376 AromaticContact CE2-CH2 3.84Å; F323-W376 HydrophobicContact CE2-CH2 3.84Å; F323-W376 AromaticContact CE2-CZ2 3.52Å; F323-W376 HydrophobicContact CE2-CZ2 3.52Å; F323-W376 HydrophobicContact CE2-CZ3 4.26Å; F323-W376 HydrophobicContact CZ-CH2 4.37Å; F323-W376 HydrophobicContact CZ-CZ2 4.45Å; F323-W376 HydrophobicContact CZ-CZ3 4.46Å
324E92.3Very high93.3Very high175 Ų17552.7 Ų52.782%0.81829%0.287SS*.  trans-69.9134.1-178.3-171.6167.1-168.400111.9
325W94.6Very high93.4Very high77 Ų7746.2 Ų46.229%0.29226%0.257SS..  trans-83.2123.1176-174.289000109.6A313 I321 L327 V330A313-W325 HydrophobicContact CB-CH2 4.05Å; I321-W325 HydrophobicContact CD1-CB 3.81Å; I321-W325 HydrophobicContact CD1-CG 4.46Å; W325-L327 HydrophobicContact CH2-CB 3.82Å; W325-L327 HydrophobicContact CH2-CD1 3.92Å; W325-L327 HydrophobicContact CH2-CG 4.36Å; W325-L327 HydrophobicContact CZ2-CD1 4.41Å; W325-L327 HydrophobicContact CZ3-CB 3.86Å; W325-V330 HydrophobicContact CZ2-CG2 4.24Å
326D94.8Very high93.6Very high65 Ų6544.6 Ų44.635%0.34825%0.248SC..  trans-125.5118.6-177.2-179.1-8.4000109.3E328 R329 V330 W376D326-E328 VanDerWaalsContact C-N 3.29Å; D326-E328 PolarHBondContact O-N 3.48Å; D326-E328 PolarHBondContact OD1-N 2.77Å; D326-R329 HydrophobicContact CB-CB 4.28Å; D326-R329 HydrophobicContact CB-CG 4.09Å; D326-R329 PolarHBondContact O-N 2.91Å; D326-R329 WeakPolarHBondContact OD2-CG 3.12Å; D326-V330 VanDerWaalsContact O-CG2 3.26Å; D326-V330 WeakPolarHBondContact O-CG2 3.48Å; D326-V330 PolarHBondContact O-N 2.92Å; D326-V330 VanDerWaalsContact O-N 3.09Å; D326-W376 HydrophobicContact CB-CZ2 4.13Å
327L96.1Very high93.5Very high32 Ų3244.8 Ų44.817%0.16825%0.249CC..Hα-helixtrans-63.2-34-179.4177.957.3000112.5A313 W325 R329 V330 I331A313-L327 HydrophobicContact CB-CD1 3.73Å; A313-L327 HydrophobicContact CB-CD2 3.93Å; A313-L327 HydrophobicContact CB-CG 4.46Å; W325-L327 HydrophobicContact CH2-CB 3.82Å; W325-L327 HydrophobicContact CH2-CD1 3.92Å; W325-L327 HydrophobicContact CH2-CG 4.36Å; W325-L327 HydrophobicContact CZ2-CD1 4.41Å; W325-L327 HydrophobicContact CZ3-CB 3.86Å; L327-R329 VanDerWaalsContact C-N 3.33Å; L327-R329 PolarHBondContact O-N 3.24Å; L327-V330 PolarHBondContact O-N 2.84Å; L327-I331 HydrophobicContact CD1-CD1 3.9Å; L327-I331 HydrophobicContact CD1-CG1 4.06Å; L327-I331 HydrophobicContact CG-CD1 3.8Å; L327-I331 HydrophobicContact CG-CG1 4.42Å; L327-I331 WeakPolarHBondContact O-CD1 3.14Å; L327-I331 VanDerWaalsContact O-CG1 3.26Å; L327-I331 WeakPolarHBondContact O-CG1 3.35Å; L327-I331 PolarHBondContact O-N 2.91Å
328E97.2Very high93.5Very high11 Ų1137.6 Ų37.65%0.05122%0.218CC..Hα-helixtrans-65.7-42.8-178.2-55.3-42.612200110.1H245 R309 D326 I331 D332 L854H245-E328 IonicContact CE1-OE2 2.59Å; H245-E328 IonicContact CG-OE2 2.79Å; H245-E328 IonicContact ND1-OE2 3.27Å; H245-E328 PolarHBondContact ND1-OE2 2.73Å; R309-E328 IonicContact CZ-OE1 3.77Å; R309-E328 IonicContact CZ-OE2 3.27Å; R309-E328 VanDerWaalsContact CZ-OE2 3.26Å; R309-E328 IonicContact NH1-OE1 3.9Å; R309-E328 IonicContact NH1-OE2 2.66Å; R309-E328 PolarHBondContact NH1-OE2 3.21Å; R309-E328 IonicContact NH2-OE1 3.72Å; R309-E328 PolarHBondContact NH2-OE1 3.49Å; R309-E328 IonicContact NH2-OE2 3.99Å; R309-E328 PolarHBondContact NH2-OE2 3.2Å; D326-E328 VanDerWaalsContact C-N 3.29Å; D326-E328 PolarHBondContact O-N 3.48Å; D326-E328 PolarHBondContact OD1-N 2.77Å; E328-I331 WeakPolarHBondContact O-CB 3.39Å; E328-I331 PolarHBondContact O-N 3.11Å; E328-D332 PolarHBondContact O-N 2.83Å; E328-D332 VanDerWaalsContact O-OD1 3.13Å; E328-L854 HydrophobicContact CG-CG 4.14Å
329R96.5Very high93.7Very high41 Ų4136.8 Ų36.816%0.15521%0.214CC..Hα-helixtrans-71.4-32.9178.3-57.5-61.9-66.2-94.2-11.1113.3D326 L327 I331 D332 D333 W376 T378 D379D326-R329 HydrophobicContact CB-CB 4.28Å; D326-R329 HydrophobicContact CB-CG 4.09Å; D326-R329 PolarHBondContact O-N 2.91Å; D326-R329 WeakPolarHBondContact OD2-CG 3.12Å; L327-R329 VanDerWaalsContact C-N 3.33Å; L327-R329 PolarHBondContact O-N 3.24Å; R329-I331 VanDerWaalsContact C-N 3.3Å; R329-D332 PolarHBondContact O-N 3.28Å; R329-D333 PolarHBondContact O-N 3.04Å; R329-D333 VanDerWaalsContact O-N 3.1Å; R329-W376 HydrophobicContact CB-CB 4.49Å; R329-W376 VanDerWaalsContact CB-CD1 3.5Å; R329-W376 HydrophobicContact CB-CD2 3.71Å; R329-W376 HydrophobicContact CB-CG 3.66Å; R329-W376 HydrophobicContact CB-CZ2 4.28Å; R329-W376 HydrophobicContact CG-CG 4.44Å; R329-T378 PolarHBondContact NE-O 2.78Å; R329-T378 PolarHBondContact NH2-O 2.89Å; R329-D379 IonicContact CZ-OD1 2.75Å; R329-D379 IonicContact CZ-OD2 2.67Å; R329-D379 IonicContact NH1-OD1 3.88Å; R329-D379 PolarHBondContact NH1-OD1 3.06Å; R329-D379 IonicContact NH1-OD2 3.75Å; R329-D379 PolarHBondContact NH1-OD2 3.38Å; R329-D379 IonicContact NH2-OD1 3.54Å; R329-D379 IonicContact NH2-OD2 3.17Å; R329-D379 PolarHBondContact NH2-OD2 2.91Å
330V96.9Very high93.8Very high0 Ų033.1 Ų33.10%018%0.183CC..Hα-helixtrans-64.1-36169.9168.90000111.5L316 W325 D326 L327 W334 W376L316-V330 HydrophobicContact CB-CG1 3.41Å; L316-V330 VanDerWaalsContact CB-CG1 3.41Å; L316-V330 HydrophobicContact CD1-CG1 3.46Å; L316-V330 VanDerWaalsContact CD1-CG1 3.46Å; L316-V330 HydrophobicContact CG-CG1 4.07Å; W325-V330 HydrophobicContact CZ2-CG2 4.24Å; D326-V330 VanDerWaalsContact O-CG2 3.26Å; D326-V330 WeakPolarHBondContact O-CG2 3.48Å; D326-V330 PolarHBondContact O-N 2.92Å; D326-V330 VanDerWaalsContact O-N 3.09Å; L327-V330 PolarHBondContact O-N 2.84Å; V330-W334 WeakPolarHBondContact O-CB 3.25Å; V330-W334 PolarHBondContact O-N 3.11Å; V330-W376 HydrophobicContact CG2-CE3 4.21Å; V330-W376 HydrophobicContact CG2-CH2 3.44Å; V330-W376 VanDerWaalsContact CG2-CH2 3.44Å; V330-W376 HydrophobicContact CG2-CZ2 4.37Å; V330-W376 HydrophobicContact CG2-CZ3 3.34Å
331I97.6Very high93.9Very high0 Ų029.5 Ų29.50%015%0.145CC..Hα-helixtrans-69.8-43.7175.7-72.1163.3000110.7L242 R309 L312 L327 E328 R329 D333 W334 V335L242-I331 HydrophobicContact CB-CG2 3.92Å; L242-I331 HydrophobicContact CD2-CG2 4.32Å; R309-I331 HydrophobicContact CB-CD1 4.4Å; R309-I331 HydrophobicContact CG-CD1 3.79Å; L312-I331 HydrophobicContact CD1-CG1 4.35Å; L327-I331 HydrophobicContact CD1-CD1 3.9Å; L327-I331 HydrophobicContact CD1-CG1 4.06Å; L327-I331 HydrophobicContact CG-CD1 3.8Å; L327-I331 HydrophobicContact CG-CG1 4.42Å; L327-I331 WeakPolarHBondContact O-CD1 3.14Å; L327-I331 VanDerWaalsContact O-CG1 3.26Å; L327-I331 WeakPolarHBondContact O-CG1 3.35Å; L327-I331 PolarHBondContact O-N 2.91Å; E328-I331 WeakPolarHBondContact O-CB 3.39Å; E328-I331 PolarHBondContact O-N 3.11Å; R329-I331 VanDerWaalsContact C-N 3.3Å; I331-D333 VanDerWaalsContact C-N 3.33Å; I331-D333 PolarHBondContact O-N 2.88Å; I331-W334 PolarHBondContact O-N 3.42Å; I331-W334 VanDerWaalsContact O-N 3.12Å; I331-V335 HydrophobicContact CG2-CG2 4.4Å; I331-V335 WeakPolarHBondContact O-CG2 3.43Å; I331-V335 PolarHBondContact O-N 3.34Å
332D97.9Very high93.5Very high0 Ų028.2 Ų28.20%014%0.139CC..Hα-helixtrans-56.3-48.6175.7-68.912.4000111.5H245 E328 R329 W334 V335 F336 T378 Y622 S852H245-D332 IonicContact CE1-OD1 2.75Å; H245-D332 PolarHBondContact CE1-OD1 3.15Å; H245-D332 IonicContact NE2-OD1 3.61Å; H245-D332 PolarHBondContact NE2-OD1 3.04Å; E328-D332 PolarHBondContact O-N 2.83Å; E328-D332 VanDerWaalsContact O-OD1 3.13Å; R329-D332 PolarHBondContact O-N 3.28Å; D332-W334 VanDerWaalsContact C-N 3.31Å; D332-W334 PolarHBondContact O-N 3.09Å; D332-V335 PolarHBondContact O-N 3.01Å; D332-F336 WeakPolarHBondContact O-CB 3.41Å; D332-F336 PolarHBondContact O-N 2.68Å; D332-T378 WeakPolarHBondContact CB-OG1 3.27Å; D332-Y622 WeakPolarHBondContact CA-OH 3.46Å; D332-Y622 HydrophobicContact CB-CE1 4.47Å; D332-Y622 VanDerWaalsContact OD1-CE1 3.3Å; D332-Y622 WeakPolarHBondContact OD1-CE1 3.27Å; D332-Y622 PolarHBondContact OD1-OH 3.4Å; D332-S852 WeakPolarHBondContact OD2-CB 3.49Å; D332-S852 PolarHBondContact OD2-OG 2.88Å
333D97.8Very high93.5Very high0 Ų023 Ų230%011%0.107CC..Hα-helixtrans-62.6-36.6177.3-73.8-9000111.9R329 I331 M337 Y366 W376 L377 T378R329-D333 PolarHBondContact O-N 3.04Å; R329-D333 VanDerWaalsContact O-N 3.1Å; I331-D333 VanDerWaalsContact C-N 3.33Å; I331-D333 PolarHBondContact O-N 2.88Å; D333-M337 WeakPolarHBondContact O-CB 3.48Å; D333-M337 WeakPolarHBondContact O-CG 3.42Å; D333-M337 PolarHBondContact O-N 2.84Å; D333-Y366 HydrophobicContact CB-CD2 4.48Å; D333-Y366 HydrophobicContact CB-CE2 3.51Å; D333-Y366 WeakPolarHBondContact CB-OH 3.39Å; D333-Y366 WeakPolarHBondContact OD2-CE2 3.11Å; D333-Y366 PolarHBondContact OD2-OH 3.35Å; D333-W376 VanDerWaalsContact OD2-CA 3.32Å; D333-W376 WeakPolarHBondContact OD2-CA 3.26Å; D333-W376 WeakPolarHBondContact OD2-CB 3.35Å; D333-L377 VanDerWaalsContact CG-N 3.31Å; D333-L377 WeakPolarHBondContact OD1-CA 3.32Å; D333-L377 VanDerWaalsContact OD1-CB 3.32Å; D333-L377 WeakPolarHBondContact OD1-CB 3.48Å; D333-L377 PolarHBondContact OD1-N 3.04Å; D333-L377 PolarHBondContact OD2-N 2.88Å; D333-T378 PolarHBondContact N-OG1 2.84Å; D333-T378 WeakPolarHBondContact OD1-CB 3.49Å; D333-T378 PolarHBondContact OD1-N 3.41Å; D333-T378 PolarHBondContact OD1-OG1 3.19Å
334W96.6Very high93.3Very high0 Ų022.9 Ų22.90%011%0.109CC..Hα-helixtrans-70.7-40.6177.1-17581.8000113F6 W9 L10 M239 L242 L312 L316 V330 I331 D332 M337 C338F6-W334 HydrophobicContact CZ-CH2 4.14Å; W9-W334 HydrophobicContact CH2-CZ2 4.19Å; W9-W334 HydrophobicContact CZ3-CZ2 4.14Å; L10-W334 HydrophobicContact CD1-CH2 4.09Å; L10-W334 HydrophobicContact CD1-CZ2 4.32Å; M239-W334 HydrophobicContact CE-CH2 3.74Å; M239-W334 HydrophobicContact CE-CZ3 3.67Å; M239-W334 HydrophobicContact SD-CE3 4.1Å; M239-W334 HydrophobicContact SD-CH2 4.23Å; M239-W334 HydrophobicContact SD-CZ3 3.54Å; M239-W334 VanDerWaalsContact SD-CZ3 3.54Å; L242-W334 HydrophobicContact CD1-CE3 3.99Å; L242-W334 HydrophobicContact CD1-CZ3 3.57Å; L312-W334 HydrophobicContact CD1-CD2 4.01Å; L312-W334 HydrophobicContact CD1-CE3 3.85Å; L312-W334 HydrophobicContact CD1-CG 4.49Å; L312-W334 HydrophobicContact CD1-CZ3 4.19Å; L312-W334 HydrophobicContact CD2-CD2 3.87Å; L312-W334 HydrophobicContact CD2-CE3 4.46Å; L312-W334 HydrophobicContact CD2-CG 4.11Å; L312-W334 HydrophobicContact CD2-CZ2 4.09Å; L316-W334 HydrophobicContact CD1-CB 3.84Å; L316-W334 HydrophobicContact CD1-CG 3.96Å; V330-W334 WeakPolarHBondContact O-CB 3.25Å; V330-W334 PolarHBondContact O-N 3.11Å; I331-W334 PolarHBondContact O-N 3.42Å; I331-W334 VanDerWaalsContact O-N 3.12Å; D332-W334 VanDerWaalsContact C-N 3.31Å; D332-W334 PolarHBondContact O-N 3.09Å; W334-M337 HydrophobicContact CB-CE 4.31Å; W334-M337 PolarHBondContact O-N 2.85Å; W334-C338 PolarHBondContact O-N 3.15Å; W334-C338 VanDerWaalsContact O-N 3.14Å; W334-C338 PolarHBondContact O-SG 3.35Å
335V96.2Very high93.4Very high0 Ų015.1 Ų15.10%07%0.072CC..Hα-helixtrans-60-48.3171.61670000109.8M239 L242 I331 D332 M337 C338 F339 Y621 Y622M239-V335 HydrophobicContact CB-CG1 4.09Å; M239-V335 HydrophobicContact CB-CG2 4.44Å; M239-V335 HydrophobicContact SD-CB 4.4Å; M239-V335 HydrophobicContact SD-CG1 4.49Å; M239-V335 HydrophobicContact SD-CG2 3.99Å; L242-V335 HydrophobicContact CB-CG2 4.18Å; L242-V335 HydrophobicContact CD1-CG2 4.45Å; I331-V335 HydrophobicContact CG2-CG2 4.4Å; I331-V335 WeakPolarHBondContact O-CG2 3.43Å; I331-V335 PolarHBondContact O-N 3.34Å; D332-V335 PolarHBondContact O-N 3.01Å; V335-M337 PolarHBondContact O-N 2.92Å; V335-C338 WeakPolarHBondContact O-CB 3.42Å; V335-C338 PolarHBondContact O-N 2.88Å; V335-C338 VanDerWaalsContact O-N 3.11Å; V335-F339 HydrophobicContact CG1-CE1 4.13Å; V335-F339 HydrophobicContact CG1-CE2 4.21Å; V335-F339 HydrophobicContact CG1-CZ 3.63Å; V335-F339 PolarHBondContact O-N 2.84Å; V335-Y621 HydrophobicContact CG1-CD1 4.5Å; V335-Y622 HydrophobicContact CG1-CE2 4.1Å
336F96.2Very high93.3Very high1 Ų111.8 Ų11.80%0.0046%0.06CC..Hα-helixtrans-61.1-40.8177.2-176.7-104.5000112.7D332 C338 F339 F340 L377 T378 V383 V388 L614 L618D332-F336 WeakPolarHBondContact O-CB 3.41Å; D332-F336 PolarHBondContact O-N 2.68Å; F336-C338 VanDerWaalsContact C-N 3.27Å; F336-C338 PolarHBondContact O-N 2.95Å; F336-F339 AromaticContact CD2-CD2 3.99Å; F336-F339 HydrophobicContact CD2-CD2 3.99Å; F336-F339 HydrophobicContact CD2-CE2 4.44Å; F336-F339 WeakPolarHBondContact O-CB 3.47Å; F336-F339 PolarHBondContact O-N 3.14Å; F336-F340 AromaticContact CD1-CE2 3.93Å; F336-F340 HydrophobicContact CD1-CE2 3.93Å; F336-F340 HydrophobicContact CD1-CZ 4.41Å; F336-F340 AromaticContact CE1-CE2 3.6Å; F336-F340 HydrophobicContact CE1-CE2 3.6Å; F336-F340 AromaticContact CE1-CZ 3.61Å; F336-F340 HydrophobicContact CE1-CZ 3.61Å; F336-F340 HydrophobicContact CZ-CE2 4.26Å; F336-F340 AromaticContact CZ-CZ 3.99Å; F336-F340 HydrophobicContact CZ-CZ 3.99Å; F336-L377 HydrophobicContact CD1-CD1 4.27Å; F336-T378 HydrophobicContact CB-CG2 3.75Å; F336-T378 HydrophobicContact CD1-CG2 4.03Å; F336-T378 HydrophobicContact CD2-CG2 4.17Å; F336-T378 HydrophobicContact CG-CG2 3.71Å; F336-V383 HydrophobicContact CD2-CG2 4.3Å; F336-V383 HydrophobicContact CE1-CG1 4.26Å; F336-V383 HydrophobicContact CE2-CG1 4.26Å; F336-V383 HydrophobicContact CE2-CG2 3.64Å; F336-V383 HydrophobicContact CZ-CG1 3.75Å; F336-V383 HydrophobicContact CZ-CG2 4.02Å; F336-V388 HydrophobicContact CE1-CG1 4.42Å; F336-V388 HydrophobicContact CE1-CG2 3.56Å; F336-V388 HydrophobicContact CZ-CG2 4.04Å; F336-L614 HydrophobicContact CE2-CB 4.01Å; F336-L614 HydrophobicContact CZ-CB 4.19Å; F336-L618 HydrophobicContact CB-CD1 4.21Å; F336-L618 HydrophobicContact CD2-CB 4.13Å; F336-L618 HydrophobicContact CD2-CD1 4.07Å; F336-L618 HydrophobicContact CD2-CD2 3.94Å; F336-L618 HydrophobicContact CD2-CG 4.26Å; F336-L618 HydrophobicContact CE2-CB 4.47Å; F336-L618 HydrophobicContact CE2-CD2 4.45Å
337M94Very high93.1Very high3 Ų310.4 Ų10.42%0.0155%0.054CC..Hα-helixtrans-59.2-36174.1-83.2-168.4-7200113D333 W334 V335 F339 F340 L362 I363 Y366 L377D333-M337 WeakPolarHBondContact O-CB 3.48Å; D333-M337 WeakPolarHBondContact O-CG 3.42Å; D333-M337 PolarHBondContact O-N 2.84Å; W334-M337 HydrophobicContact CB-CE 4.31Å; W334-M337 PolarHBondContact O-N 2.85Å; V335-M337 PolarHBondContact O-N 2.92Å; M337-F339 VanDerWaalsContact C-N 3.26Å; M337-F339 PolarHBondContact O-N 3.38Å; M337-F340 WeakPolarHBondContact O-CD2 3.42Å; M337-F340 PolarHBondContact O-N 2.99Å; M337-L362 WeakPolarHBondContact O-CD1 3.39Å; M337-L362 HydrophobicContact SD-CB 4.09Å; M337-I363 HydrophobicContact CE-CG1 4.26Å; M337-Y366 HydrophobicContact CE-CD1 3.7Å; M337-Y366 HydrophobicContact CE-CD2 4.1Å; M337-Y366 HydrophobicContact CE-CE1 4.2Å; M337-Y366 HydrophobicContact CE-CG 3.63Å; M337-Y366 WeakPolarHBondContact SD-CB 3.4Å; M337-Y366 HydrophobicContact SD-CD1 4.33Å; M337-Y366 HydrophobicContact SD-CD2 4.17Å; M337-Y366 HydrophobicContact SD-CG 3.72Å; M337-L377 HydrophobicContact CG-CD1 4.48Å
338C92.9Very high92.6Very high0 Ų011.8 Ų11.80%06%0.06CC..Hα-helixtrans-68-26.8179.9-66.50000112.6M1 M239 W334 V335 F336 F340 V341M1-C338 WeakPolarHBondContact CE-O 3.39Å; M1-C338 HydrophobicContact SD-CB 4.48Å; M239-C338 HydrophobicContact CE-CB 3.49Å; M239-C338 VanDerWaalsContact CE-CB 3.49Å; M239-C338 WeakPolarHBondContact CE-SG 3.43Å; M239-C338 HydrophobicContact SD-CB 4.03Å; W334-C338 PolarHBondContact O-N 3.15Å; W334-C338 VanDerWaalsContact O-N 3.14Å; W334-C338 PolarHBondContact O-SG 3.35Å; V335-C338 WeakPolarHBondContact O-CB 3.42Å; V335-C338 PolarHBondContact O-N 2.88Å; V335-C338 VanDerWaalsContact O-N 3.11Å; F336-C338 VanDerWaalsContact C-N 3.27Å; F336-C338 PolarHBondContact O-N 2.95Å; C338-F340 VanDerWaalsContact C-N 3.29Å; C338-F340 PolarHBondContact O-N 3.42Å; C338-V341 PolarHBondContact O-N 3.33Å; C338-V341 VanDerWaalsContact O-N 3.16Å
339F92.2Very high92.3Very high0 Ų011.2 Ų11.20%06%0.057CC..Hα-helixtrans-62.1-32177.9-59.7-30.8000113.6V335 F336 M337 V341 G342 N343 L614 V617 L618 Y621V335-F339 HydrophobicContact CG1-CE1 4.13Å; V335-F339 HydrophobicContact CG1-CE2 4.21Å; V335-F339 HydrophobicContact CG1-CZ 3.63Å; V335-F339 PolarHBondContact O-N 2.84Å; F336-F339 AromaticContact CD2-CD2 3.99Å; F336-F339 HydrophobicContact CD2-CD2 3.99Å; F336-F339 HydrophobicContact CD2-CE2 4.44Å; F336-F339 WeakPolarHBondContact O-CB 3.47Å; F336-F339 PolarHBondContact O-N 3.14Å; M337-F339 VanDerWaalsContact C-N 3.26Å; M337-F339 PolarHBondContact O-N 3.38Å; F339-V341 PolarHBondContact O-N 3.2Å; F339-G342 PolarHBondContact O-N 3.15Å; F339-G342 VanDerWaalsContact O-N 3.1Å; F339-N343 HydrophobicContact CD1-CB 4.48Å; F339-N343 PolarHBondContact O-ND2 3.34Å; F339-N343 VanDerWaalsContact O-ND2 3.11Å; F339-L614 HydrophobicContact CB-CD2 4.01Å; F339-V617 HydrophobicContact CD1-CG1 4.05Å; F339-V617 HydrophobicContact CD2-CG1 3.94Å; F339-V617 HydrophobicContact CE1-CG1 4Å; F339-V617 HydrophobicContact CE2-CG1 3.89Å; F339-V617 HydrophobicContact CG-CG1 4.03Å; F339-V617 HydrophobicContact CZ-CG1 3.92Å; F339-L618 HydrophobicContact CE2-CB 4.23Å; F339-L618 HydrophobicContact CE2-CD1 3.82Å; F339-Y621 AromaticContact CE1-CD1 3.96Å; F339-Y621 HydrophobicContact CE1-CD1 3.96Å; F339-Y621 AromaticContact CE1-CE1 3.55Å; F339-Y621 HydrophobicContact CE1-CE1 3.55Å; F339-Y621 HydrophobicContact CE1-CE2 4.25Å; F339-Y621 HydrophobicContact CE1-CG 4.45Å; F339-Y621 AromaticContact CE1-CZ 3.71Å; F339-Y621 AromaticContact CZ-CD1 3.61Å; F339-Y621 HydrophobicContact CZ-CD1 3.61Å; F339-Y621 HydrophobicContact CZ-CD2 4.17Å; F339-Y621 AromaticContact CZ-CE1 3.72Å; F339-Y621 HydrophobicContact CZ-CE1 3.72Å; F339-Y621 HydrophobicContact CZ-CE2 4.3Å; F339-Y621 AromaticContact CZ-CG 3.84Å; F339-Y621 HydrophobicContact CZ-CG 3.84Å
340F88.8Confident92.1Very high1 Ų19.9 Ų9.90%0.0045%0.054CC..THydrogen-bonded Turntrans-63.1-26.8176.8-64.9-79.9000113.4F336 M337 C338 G342 L349 L352 L362 V388 M392 L614F336-F340 AromaticContact CD1-CE2 3.93Å; F336-F340 HydrophobicContact CD1-CE2 3.93Å; F336-F340 HydrophobicContact CD1-CZ 4.41Å; F336-F340 AromaticContact CE1-CE2 3.6Å; F336-F340 HydrophobicContact CE1-CE2 3.6Å; F336-F340 AromaticContact CE1-CZ 3.61Å; F336-F340 HydrophobicContact CE1-CZ 3.61Å; F336-F340 HydrophobicContact CZ-CE2 4.26Å; F336-F340 AromaticContact CZ-CZ 3.99Å; F336-F340 HydrophobicContact CZ-CZ 3.99Å; M337-F340 WeakPolarHBondContact O-CD2 3.42Å; M337-F340 PolarHBondContact O-N 2.99Å; C338-F340 VanDerWaalsContact C-N 3.29Å; C338-F340 PolarHBondContact O-N 3.42Å; F340-G342 PolarHBondContact O-N 3.45Å; F340-L349 HydrophobicContact CD1-CD1 4.23Å; F340-L352 HydrophobicContact CB-CD1 3.63Å; F340-L362 HydrophobicContact CB-CD1 4.23Å; F340-V388 HydrophobicContact CE1-CG1 4.43Å; F340-V388 HydrophobicContact CZ-CG1 3.9Å; F340-M392 HydrophobicContact CD1-CE 3.69Å; F340-M392 HydrophobicContact CD1-SD 3.95Å; F340-M392 HydrophobicContact CE1-CE 3.39Å; F340-M392 HydrophobicContact CE1-SD 3.58Å; F340-M392 VanDerWaalsContact CE1-SD 3.58Å; F340-M392 HydrophobicContact CE2-CE 4.33Å; F340-M392 HydrophobicContact CG-CE 4.28Å; F340-M392 HydrophobicContact CZ-CE 3.76Å; F340-M392 HydrophobicContact CZ-SD 4.41Å; F340-L614 HydrophobicContact CD1-CD1 3.86Å; F340-L614 HydrophobicContact CD1-CD2 4.47Å; F340-L614 HydrophobicContact CE1-CD1 3.3Å; F340-L614 HydrophobicContact CZ-CD1 3.9Å
341V84.8Confident91.8Very high4 Ų410 Ų102%0.0246%0.055CC..THydrogen-bonded Turntrans-83.42.5179.5-157.60000111.9M1 C338 F339 L352 I354 A358 I359 L362M1-V341 HydrophobicContact CG-CB 3.92Å; M1-V341 HydrophobicContact CG-CG1 4.19Å; M1-V341 VanDerWaalsContact CG-O 3.22Å; M1-V341 WeakPolarHBondContact CG-O 3.46Å; M1-V341 PolarHBondContact N-O 3.43Å; M1-V341 HydrophobicContact SD-CB 4.22Å; C338-V341 PolarHBondContact O-N 3.33Å; C338-V341 VanDerWaalsContact O-N 3.16Å; F339-V341 PolarHBondContact O-N 3.2Å; V341-L352 HydrophobicContact CG1-CB 4.5Å; V341-I354 HydrophobicContact CG1-CD1 4.49Å; V341-I354 HydrophobicContact CG1-CG1 3.53Å; V341-A358 HydrophobicContact CG1-CB 4.11Å; V341-A358 HydrophobicContact CG2-CB 4.32Å; V341-I359 HydrophobicContact CG2-CG1 3.97Å; V341-L362 HydrophobicContact CG2-CD1 3.82Å
342G78.9Confident91.4Very high5 Ų510.1 Ų10.15%0.0526%0.055CC..THydrogen-bonded Turntrans105105.9166.700000113.9M1 F339 F340M1-G342 WeakPolarHBondContact CB-O 3.46Å; M1-G342 VanDerWaalsContact CG-O 3.24Å; M1-G342 WeakPolarHBondContact CG-O 3.44Å; M1-G342 PolarHBondContact N-O 3.45Å; F339-G342 PolarHBondContact O-N 3.15Å; F339-G342 VanDerWaalsContact O-N 3.1Å; F340-G342 PolarHBondContact O-N 3.45Å
343N89.3Confident90.9Very high15 Ų1512.1 Ų12.18%0.087%0.065CC..  trans-91.9-174169.256.880.2000110.5F339 F345 L346F339-N343 HydrophobicContact CD1-CB 4.48Å; F339-N343 PolarHBondContact O-ND2 3.34Å; F339-N343 VanDerWaalsContact O-ND2 3.11Å; N343-F345 VanDerWaalsContact C-N 3.35Å; N343-F345 HydrophobicContact CB-CD2 4.31Å; N343-F345 WeakPolarHBondContact OD1-CA 3.49Å; N343-F345 WeakPolarHBondContact OD1-CB 3.19Å; N343-F345 WeakPolarHBondContact OD1-CD2 3.11Å; N343-F345 PolarHBondContact OD1-N 2.87Å; N343-L346 PolarHBondContact OD1-N 3.13Å
344D87.8Confident90.3Very high51 Ų5112.7 Ų12.727%0.2737%0.068SC..SBendtrans-76.8-14.8-179.8-102.6-4.1000115.3K112 Q115K112-D344 HydrophobicContact CD-CB 4.07Å; K112-D344 WeakPolarHBondContact CE-OD2 3.36Å; K112-D344 IonicContact NZ-OD2 2.94Å; K112-D344 PolarHBondContact NZ-OD2 3.44Å; Q115-D344 WeakPolarHBondContact CB-O 3.48Å; Q115-D344 PolarHBondContact NE2-OD1 3.05Å; Q115-D344 PolarHBondContact NE2-OD2 2.86Å; Q115-D344 VanDerWaalsContact NE2-OD2 3.15Å
345F93.6Very high89.5Confident12 Ų1219.2 Ų19.25%0.0539%0.092CC..SBendtrans-100.8-21-172.3-42.6-80000112.9A111 K112 N343 W616 V617 Y620 Y621A111-F345 HydrophobicContact CB-CB 4.2Å; A111-F345 HydrophobicContact CB-CD1 3.93Å; K112-F345 HydrophobicContact CB-CD1 4.32Å; K112-F345 HydrophobicContact CB-CE1 4Å; K112-F345 HydrophobicContact CD-CE1 3.98Å; N343-F345 VanDerWaalsContact C-N 3.35Å; N343-F345 HydrophobicContact CB-CD2 4.31Å; N343-F345 WeakPolarHBondContact OD1-CA 3.49Å; N343-F345 WeakPolarHBondContact OD1-CB 3.19Å; N343-F345 WeakPolarHBondContact OD1-CD2 3.11Å; N343-F345 PolarHBondContact OD1-N 2.87Å; F345-W616 HydrophobicContact CB-CZ3 4.37Å; F345-W616 HydrophobicContact CD1-CH2 4.09Å; F345-W616 AromaticContact CD1-CZ3 3.61Å; F345-W616 HydrophobicContact CD1-CZ3 3.61Å; F345-W616 HydrophobicContact CD2-CZ3 4.33Å; F345-W616 HydrophobicContact CE1-CH2 4.15Å; F345-W616 AromaticContact CE1-CZ3 3.91Å; F345-W616 HydrophobicContact CE1-CZ3 3.91Å; F345-W616 AromaticContact CG-CZ3 3.83Å; F345-W616 HydrophobicContact CG-CZ3 3.83Å; F345-W616 HydrophobicContact CZ-CZ3 4.42Å; F345-V617 HydrophobicContact CB-CG2 3.83Å; F345-V617 HydrophobicContact CD2-CB 4.45Å; F345-V617 HydrophobicContact CD2-CG1 4.04Å; F345-V617 HydrophobicContact CD2-CG2 3.59Å; F345-V617 HydrophobicContact CE2-CG1 4.32Å; F345-V617 HydrophobicContact CG-CG2 3.97Å; F345-Y620 HydrophobicContact CE1-CD1 4.06Å; F345-Y620 AromaticContact CE1-CE1 3.8Å; F345-Y620 HydrophobicContact CE1-CE1 3.8Å; F345-Y620 HydrophobicContact CE2-CD1 4.41Å; F345-Y620 AromaticContact CZ-CD1 3.76Å; F345-Y620 HydrophobicContact CZ-CD1 3.76Å; F345-Y620 AromaticContact CZ-CE1 3.66Å; F345-Y620 HydrophobicContact CZ-CE1 3.66Å; F345-Y621 HydrophobicContact CE2-CE2 4.12Å
346L93.2Very high89.1Confident6 Ų621.4 Ų21.43%0.03110%0.103CC..SBendtrans-131.8135.4-176-67.5172.6000111.6N343 Y610 L614 V617 W630 F632N343-L346 PolarHBondContact OD1-N 3.13Å; L346-Y610 HydrophobicContact CB-CE2 3.93Å; L346-Y610 HydrophobicContact CD1-CD1 4.22Å; L346-Y610 HydrophobicContact CD1-CE1 3.89Å; L346-Y610 HydrophobicContact CD1-CE2 4.48Å; L346-Y610 HydrophobicContact CD2-CD2 4.09Å; L346-Y610 HydrophobicContact CD2-CE2 4.15Å; L346-Y610 HydrophobicContact CD2-CG 4.41Å; L346-Y610 HydrophobicContact CG-CE2 4.43Å; L346-L614 HydrophobicContact CD1-CD2 3.75Å; L346-L614 HydrophobicContact CD1-CG 3.89Å; L346-V617 HydrophobicContact CD1-CG2 4.45Å; L346-W630 HydrophobicContact CD2-CH2 4.22Å; L346-F632 HydrophobicContact CD2-CB 3.68Å; L346-F632 HydrophobicContact CD2-CD1 4.3Å; L346-F632 HydrophobicContact CD2-CD2 4.01Å; L346-F632 HydrophobicContact CD2-CG 3.74Å
347P90.2Very high88.6Confident36 Ų3622 Ų2223%0.23411%0.109CC..PPolyproline II helixtrans-61145170.924.7-30.8000110.7Y610 F632 A637P347-Y610 HydrophobicContact CG-CE2 4.3Å; P347-Y610 VanDerWaalsContact O-CE2 3.23Å; P347-Y610 WeakPolarHBondContact O-CE2 3.49Å; P347-Y610 PolarHBondContact O-OH 3.37Å; P347-F632 HydrophobicContact CG-CD1 4.07Å; P347-F632 HydrophobicContact CG-CE1 3.7Å; P347-A637 HydrophobicContact CB-CB 4.23Å; P347-A637 HydrophobicContact CG-CB 4.04Å
348H86.2Confident88.5Confident61 Ų6122 Ų2228%0.28211%0.11SC..PPolyproline II helixtrans-64.9142.7178.361.5-77.2000111.6A637 K709H348-A637 VanDerWaalsContact O-CB 3.28Å; H348-A637 WeakPolarHBondContact O-CB 3.42Å; H348-K709 VanDerWaalsContact NE2-CE 3.3Å; H348-K709 WeakPolarHBondContact NE2-CE 3.46Å; H348-K709 PolarHBondContact NE2-NZ 3.17Å
349L91.8Very high88.4Confident0 Ų022.1 Ų22.10%011%0.11CC..PPolyproline II helixtrans-61.1137.1173.3-58.1-169.4000109.6F340 S351 L352 M392 L395 Y610 A637 F643F340-L349 HydrophobicContact CD1-CD1 4.23Å; L349-S351 PolarHBondContact O-N 3.31Å; L349-S351 VanDerWaalsContact O-N 3.1Å; L349-L352 HydrophobicContact CB-CB 4.4Å; L349-L352 HydrophobicContact CB-CD1 4.13Å; L349-L352 HydrophobicContact CB-CG 4.25Å; L349-L352 HydrophobicContact CD1-CD1 3.9Å; L349-L352 HydrophobicContact CG-CD1 4.24Å; L349-L352 PolarHBondContact O-N 3.44Å; L349-M392 HydrophobicContact CD1-SD 4.29Å; L349-L395 HydrophobicContact CD1-CD2 4.48Å; L349-Y610 HydrophobicContact CD2-CD1 4.47Å; L349-Y610 HydrophobicContact CD2-CE1 3.83Å; L349-Y610 HydrophobicContact CD2-CE2 4.11Å; L349-A637 HydrophobicContact CD2-CB 4.03Å; L349-F643 HydrophobicContact CD1-CE2 4.35Å; L349-F643 HydrophobicContact CD2-CE2 4.1Å; L349-F643 HydrophobicContact CD2-CZ 4.12Å
350P90.6Very high88.4Confident13 Ų1324.1 Ų24.18%0.08412%0.121CC..THydrogen-bonded Turntrans-59.8-28.6-174.9-26.136.4000113.9F403 R406 F578 Y587 P638 F639P350-F403 HydrophobicContact CB-CE1 4.27Å; P350-F403 HydrophobicContact CB-CZ 4.21Å; P350-R406 PolarHBondContact O-NH1 2.94Å; P350-R406 PolarHBondContact O-NH2 3.42Å; P350-F578 HydrophobicContact CB-CE1 4.48Å; P350-F578 HydrophobicContact CB-CZ 4.37Å; P350-Y587 HydrophobicContact CG-CE2 4.28Å; P350-Y587 WeakPolarHBondContact CG-OH 3.36Å; P350-P638 WeakPolarHBondContact CD-O 3.38Å; P350-F639 HydrophobicContact CB-CD1 4.15Å; P350-F639 HydrophobicContact CB-CE1 3.75Å; P350-F639 HydrophobicContact CG-CD1 3.96Å; P350-F639 HydrophobicContact CG-CE1 3.67Å; P350-F639 HydrophobicContact CG-CZ 4.42Å
351S91.3Very high88.6Confident2 Ų226 Ų261%0.01413%0.128CC..THydrogen-bonded Turntrans-84.11.7179.644.30000114.5L349 E399L349-S351 PolarHBondContact O-N 3.31Å; L349-S351 VanDerWaalsContact O-N 3.1Å; S351-E399 WeakPolarHBondContact CB-OE1 3.43Å; S351-E399 PolarHBondContact OG-OE1 3.49Å
352L90.2Very high89.1Confident2 Ų225.8 Ų25.81%0.0113%0.127CC..  trans-125.4105.7-177.7-64.1179000113.6F340 V341 L349 A358 L362 L395F340-L352 HydrophobicContact CB-CD1 3.63Å; V341-L352 HydrophobicContact CG1-CB 4.5Å; L349-L352 HydrophobicContact CB-CB 4.4Å; L349-L352 HydrophobicContact CB-CD1 4.13Å; L349-L352 HydrophobicContact CB-CG 4.25Å; L349-L352 HydrophobicContact CD1-CD1 3.9Å; L349-L352 HydrophobicContact CG-CD1 4.24Å; L349-L352 PolarHBondContact O-N 3.44Å; L352-A358 HydrophobicContact CB-CB 4.06Å; L352-A358 HydrophobicContact CD2-CB 3.9Å; L352-L362 HydrophobicContact CD1-CD1 4.16Å; L352-L362 HydrophobicContact CD2-CD1 4.47Å; L352-L362 HydrophobicContact CD2-CG 4.36Å; L352-L395 HydrophobicContact CD1-CD2 4.01Å; L352-L395 HydrophobicContact CD2-CD1 3.97Å; L352-L395 HydrophobicContact CD2-CD2 3.93Å; L352-L395 HydrophobicContact CG-CD2 4.13Å
353E86.5Confident89.8Confident43 Ų4325.7 Ų25.720%0.20113%0.125CC..  trans-121.9135.2165.4-63.9-157.2-173.700112.8R355 E356 A358 K709E353-R355 PolarHBondContact O-N 2.81Å; E353-R355 VanDerWaalsContact O-N 3.17Å; E353-E356 HydrophobicContact CB-CB 4.43Å; E353-E356 HydrophobicContact CB-CG 4.04Å; E353-E356 PolarHBondContact O-N 2.82Å; E353-A358 VanDerWaalsContact C-CB 3.47Å; E353-A358 WeakPolarHBondContact O-CB 2.87Å; E353-A358 PolarHBondContact O-N 2.88Å; E353-K709 IonicContact OE1-NZ 2.65Å; E353-K709 PolarHBondContact OE1-NZ 3.17Å
354I84.2Confident90.1Very high11 Ų1129.8 Ų29.86%0.05615%0.147CC..G310 helixtrans-53.5-39.6176.2-60.6-179.5000111.3M1 F6 W9 V341 E356 G357 I359M1-I354 HydrophobicContact CB-CD1 3.8Å; M1-I354 HydrophobicContact CG-CD1 3.75Å; M1-I354 HydrophobicContact CG-CG1 4.37Å; M1-I354 HydrophobicContact SD-CD1 4.22Å; F6-I354 HydrophobicContact CB-CD1 3.78Å; F6-I354 HydrophobicContact CD2-CD1 3.95Å; F6-I354 HydrophobicContact CG-CD1 4.39Å; W9-I354 HydrophobicContact CB-CG2 3.54Å; W9-I354 HydrophobicContact CG-CG2 3.77Å; V341-I354 HydrophobicContact CG1-CD1 4.49Å; V341-I354 HydrophobicContact CG1-CG1 3.53Å; I354-E356 PolarHBondContact O-N 2.71Å; I354-E356 VanDerWaalsContact O-N 3.16Å; I354-G357 PolarHBondContact O-N 2.87Å; I354-G357 VanDerWaalsContact O-N 3.09Å; I354-I359 HydrophobicContact CG1-CD1 4.29Å
355R81.5Confident90.5Very high137 Ų13728.1 Ų28.152%0.51714%0.138SC..G310 helixtrans-65-16.3-178.2-61.2179.5-179-171.31.2113.4E353 Y898E353-R355 PolarHBondContact O-N 2.81Å; E353-R355 VanDerWaalsContact O-N 3.17Å; R355-Y898 VanDerWaalsContact O-CB 3.27Å; R355-Y898 WeakPolarHBondContact O-CB 3.09Å; R355-Y898 VanDerWaalsContact O-CD2 3.24Å; R355-Y898 WeakPolarHBondContact O-CD2 3.37Å; R355-Y898 VanDerWaalsContact O-CG 3.23Å
356E86.2Confident90.6Very high47 Ų4727.6 Ų27.622%0.2214%0.135CC..G310 helixtrans-104.39.3179.9-58.6-179.5146.900112.3E353 I354 R406E353-E356 HydrophobicContact CB-CB 4.43Å; E353-E356 HydrophobicContact CB-CG 4.04Å; E353-E356 PolarHBondContact O-N 2.82Å; I354-E356 PolarHBondContact O-N 2.71Å; I354-E356 VanDerWaalsContact O-N 3.16Å; E356-R406 WeakPolarHBondContact OE1-CB 3.33Å; E356-R406 WeakPolarHBondContact OE1-CD 3.35Å; E356-R406 WeakPolarHBondContact OE1-CG 3.42Å; E356-R406 IonicContact OE1-CZ 2.71Å; E356-R406 IonicContact OE1-NE 2.82Å; E356-R406 PolarHBondContact OE1-NE 2.96Å; E356-R406 IonicContact OE1-NH2 2.63Å; E356-R406 IonicContact OE2-CZ 3.91Å; E356-R406 IonicContact OE2-NE 3.22Å; E356-R406 PolarHBondContact OE2-NE 2.98Å; E356-R406 IonicContact OE2-NH2 3.17Å; E356-R406 PolarHBondContact OE2-NH2 2.79Å
357G87.2Confident90.7Very high14 Ų1429.1 Ų29.114%0.14414%0.142CC..THydrogen-bonded Turntrans75.327.1-177.100000113.7I354 I359 D360 R361I354-G357 PolarHBondContact O-N 2.87Å; I354-G357 VanDerWaalsContact O-N 3.09Å; G357-I359 VanDerWaalsContact C-N 3.29Å; G357-I359 PolarHBondContact O-N 3Å; G357-D360 PolarHBondContact O-N 3.43Å; G357-D360 VanDerWaalsContact O-N 3.12Å; G357-R361 PolarHBondContact O-N 3.28Å
358A91.4Very high90.8Very high3 Ų330.2 Ų30.23%0.02515%0.15CC..Hα-helixtrans-52.4-42.3-179.600000113.8V341 L352 E353 R361 L362V341-A358 HydrophobicContact CG1-CB 4.11Å; V341-A358 HydrophobicContact CG2-CB 4.32Å; L352-A358 HydrophobicContact CB-CB 4.06Å; L352-A358 HydrophobicContact CD2-CB 3.9Å; E353-A358 VanDerWaalsContact C-CB 3.47Å; E353-A358 WeakPolarHBondContact O-CB 2.87Å; E353-A358 PolarHBondContact O-N 2.88Å; A358-R361 PolarHBondContact O-N 3.43Å; A358-L362 WeakPolarHBondContact O-CG 3.03Å; A358-L362 PolarHBondContact O-N 2.97Å
359I90.8Very high91.2Very high2 Ų227.4 Ų27.41%0.0114%0.138CC..Hα-helixtrans-67.5-42179.5-58.4169.7000110.7F6 W9 V341 I354 G357 R361 L362 I363F6-I359 HydrophobicContact CD2-CD1 4.06Å; F6-I359 HydrophobicContact CE2-CD1 3.88Å; W9-I359 HydrophobicContact CD2-CD1 4.01Å; W9-I359 HydrophobicContact CE3-CD1 3.75Å; W9-I359 HydrophobicContact CH2-CB 4.01Å; W9-I359 HydrophobicContact CH2-CD1 3.91Å; W9-I359 HydrophobicContact CH2-CG2 3.49Å; W9-I359 VanDerWaalsContact CH2-CG2 3.49Å; W9-I359 HydrophobicContact CZ2-CB 3.73Å; W9-I359 HydrophobicContact CZ2-CD1 4.13Å; W9-I359 HydrophobicContact CZ2-CG2 3.62Å; W9-I359 HydrophobicContact CZ3-CD1 3.7Å; W9-I359 HydrophobicContact CZ3-CG2 4.29Å; V341-I359 HydrophobicContact CG2-CG1 3.97Å; I354-I359 HydrophobicContact CG1-CD1 4.29Å; G357-I359 VanDerWaalsContact C-N 3.29Å; G357-I359 PolarHBondContact O-N 3Å; I359-R361 VanDerWaalsContact C-N 3.35Å; I359-R361 PolarHBondContact O-N 3.41Å; I359-L362 PolarHBondContact O-N 3.34Å; I359-I363 HydrophobicContact CG2-CD1 4.03Å; I359-I363 HydrophobicContact CG2-CG1 4.49Å; I359-I363 VanDerWaalsContact O-CG1 3.29Å; I359-I363 WeakPolarHBondContact O-CG1 3.44Å; I359-I363 PolarHBondContact O-N 3.42Å
360D92Very high91.3Very high41 Ų4127.4 Ų27.422%0.21914%0.138CC..Hα-helixtrans-65.4-39.1178.6-58.2-68.2000111.3W9 K13 G357 I363 D364W9-D360 PolarHBondContact NE1-OD2 3.37Å; K13-D360 WeakPolarHBondContact CE-OD1 3.5Å; K13-D360 IonicContact NZ-OD1 2.71Å; K13-D360 PolarHBondContact NZ-OD1 2.97Å; G357-D360 PolarHBondContact O-N 3.43Å; G357-D360 VanDerWaalsContact O-N 3.12Å; D360-I363 PolarHBondContact O-N 3.39Å; D360-D364 PolarHBondContact O-N 3.04Å; D360-D364 VanDerWaalsContact O-N 3.12Å
361R93.8Very high91.4Very high40 Ų4031.4 Ų31.415%0.15116%0.155CC..Hα-helixtrans-62.6-43.9172-171.9-174.7-57.8-90.2-1.7112.4G357 A358 I359 I363 D364 I365 M398G357-R361 PolarHBondContact O-N 3.28Å; A358-R361 PolarHBondContact O-N 3.43Å; I359-R361 VanDerWaalsContact C-N 3.35Å; I359-R361 PolarHBondContact O-N 3.41Å; R361-I363 VanDerWaalsContact C-N 3.34Å; R361-D364 PolarHBondContact O-N 3.15Å; R361-I365 HydrophobicContact CG-CD1 4.27Å; R361-I365 WeakPolarHBondContact O-CG1 3.25Å; R361-I365 PolarHBondContact O-N 3.47Å; R361-I365 VanDerWaalsContact O-N 3.12Å; R361-M398 HydrophobicContact CG-SD 4.1Å; R361-M398 VanDerWaalsContact NH1-CE 3.33Å
362L94.7Very high91.4Very high1 Ų138.6 Ų38.61%0.00519%0.186CC..Hα-helixtrans-62.4-41.1175.7-75.9171.7000111.5M337 F340 V341 L352 A358 I359 D364 I365 Y366 I391 L395M337-L362 WeakPolarHBondContact O-CD1 3.39Å; M337-L362 HydrophobicContact SD-CB 4.09Å; F340-L362 HydrophobicContact CB-CD1 4.23Å; V341-L362 HydrophobicContact CG2-CD1 3.82Å; L352-L362 HydrophobicContact CD1-CD1 4.16Å; L352-L362 HydrophobicContact CD2-CD1 4.47Å; L352-L362 HydrophobicContact CD2-CG 4.36Å; A358-L362 WeakPolarHBondContact O-CG 3.03Å; A358-L362 PolarHBondContact O-N 2.97Å; I359-L362 PolarHBondContact O-N 3.34Å; L362-D364 VanDerWaalsContact C-N 3.35Å; L362-D364 PolarHBondContact O-N 2.94Å; L362-I365 PolarHBondContact O-N 3.32Å; L362-Y366 WeakPolarHBondContact O-CB 3.5Å; L362-Y366 PolarHBondContact O-N 3.36Å; L362-I391 HydrophobicContact CD2-CG2 4.33Å; L362-L395 HydrophobicContact CD2-CD2 4.3Å
363I94.4Very high91.6Very high3 Ų340.3 Ų40.32%0.01520%0.197CC..Hα-helixtrans-59.2-43.4175.8-73.1168.4000111.4L316 M337 I359 D360 R361 Y366 K367L316-I363 HydrophobicContact CD2-CB 4.38Å; L316-I363 HydrophobicContact CD2-CD1 4.19Å; L316-I363 HydrophobicContact CD2-CG1 3.95Å; L316-I363 HydrophobicContact CD2-CG2 3.63Å; M337-I363 HydrophobicContact CE-CG1 4.26Å; I359-I363 HydrophobicContact CG2-CD1 4.03Å; I359-I363 HydrophobicContact CG2-CG1 4.49Å; I359-I363 VanDerWaalsContact O-CG1 3.29Å; I359-I363 WeakPolarHBondContact O-CG1 3.44Å; I359-I363 PolarHBondContact O-N 3.42Å; D360-I363 PolarHBondContact O-N 3.39Å; R361-I363 VanDerWaalsContact C-N 3.34Å; I363-Y366 PolarHBondContact O-N 3.06Å; I363-K367 HydrophobicContact CG2-CD 3.96Å; I363-K367 VanDerWaalsContact CG2-CE 3.49Å; I363-K367 HydrophobicContact CG2-CG 4.48Å; I363-K367 WeakPolarHBondContact O-CB 3.48Å; I363-K367 VanDerWaalsContact O-CG 3.24Å; I363-K367 WeakPolarHBondContact O-CG 3.34Å; I363-K367 PolarHBondContact O-N 3.02Å
364D94.5Very high91.8Very high101 Ų10139.7 Ų39.754%0.5420%0.202SC..Hα-helixtrans-67-42178.9-76-20.5000112.3D360 R361 L362 S368D360-D364 PolarHBondContact O-N 3.04Å; D360-D364 VanDerWaalsContact O-N 3.12Å; R361-D364 PolarHBondContact O-N 3.15Å; L362-D364 VanDerWaalsContact C-N 3.35Å; L362-D364 PolarHBondContact O-N 2.94Å; D364-S368 PolarHBondContact O-N 3.33Å
365I95.7Very high92.3Very high16 Ų1639.4 Ų39.48%0.08220%0.201CC..Hα-helixtrans-64.5-43.8174.6-62167.4000110.5R361 L362 S368 T369 I391 D394 L395 M398R361-I365 HydrophobicContact CG-CD1 4.27Å; R361-I365 WeakPolarHBondContact O-CG1 3.25Å; R361-I365 PolarHBondContact O-N 3.47Å; R361-I365 VanDerWaalsContact O-N 3.12Å; L362-I365 PolarHBondContact O-N 3.32Å; I365-S368 WeakPolarHBondContact O-CB 3.48Å; I365-S368 PolarHBondContact O-N 3.42Å; I365-T369 PolarHBondContact O-N 2.92Å; I365-T369 PolarHBondContact O-OG1 3.07Å; I365-I391 HydrophobicContact CG2-CB 4.17Å; I365-I391 HydrophobicContact CG2-CG1 4.19Å; I365-I391 HydrophobicContact CG2-CG2 3.81Å; I365-D394 HydrophobicContact CG2-CB 3.9Å; I365-L395 HydrophobicContact CD1-CB 4.07Å; I365-L395 HydrophobicContact CD1-CD1 4.32Å; I365-M398 HydrophobicContact CD1-SD 4.24Å
366Y96Very high93Very high0 Ų034 Ų340%018%0.181CC..Hα-helixtrans-57.1-50.6176.9165.2-105.5000112.5D333 M337 L362 I363 S368 T369 V370 L377 I391D333-Y366 HydrophobicContact CB-CD2 4.48Å; D333-Y366 HydrophobicContact CB-CE2 3.51Å; D333-Y366 WeakPolarHBondContact CB-OH 3.39Å; D333-Y366 WeakPolarHBondContact OD2-CE2 3.11Å; D333-Y366 PolarHBondContact OD2-OH 3.35Å; M337-Y366 HydrophobicContact CE-CD1 3.7Å; M337-Y366 HydrophobicContact CE-CD2 4.1Å; M337-Y366 HydrophobicContact CE-CE1 4.2Å; M337-Y366 HydrophobicContact CE-CG 3.63Å; M337-Y366 WeakPolarHBondContact SD-CB 3.4Å; M337-Y366 HydrophobicContact SD-CD1 4.33Å; M337-Y366 HydrophobicContact SD-CD2 4.17Å; M337-Y366 HydrophobicContact SD-CG 3.72Å; L362-Y366 WeakPolarHBondContact O-CB 3.5Å; L362-Y366 PolarHBondContact O-N 3.36Å; I363-Y366 PolarHBondContact O-N 3.06Å; Y366-S368 VanDerWaalsContact C-N 3.27Å; Y366-S368 PolarHBondContact O-N 2.98Å; Y366-T369 PolarHBondContact O-N 3.49Å; Y366-T369 VanDerWaalsContact O-N 3.11Å; Y366-V370 HydrophobicContact CD2-CG2 3.66Å; Y366-V370 HydrophobicContact CE1-CG2 4.35Å; Y366-V370 HydrophobicContact CE2-CG2 3.25Å; Y366-V370 HydrophobicContact CG-CG2 4.37Å; Y366-V370 WeakPolarHBondContact O-CG2 3.32Å; Y366-V370 PolarHBondContact O-N 2.63Å; Y366-L377 HydrophobicContact CD2-CD1 3.8Å; Y366-L377 HydrophobicContact CD2-CG 4.02Å; Y366-L377 HydrophobicContact CE2-CD1 4.09Å; Y366-L377 HydrophobicContact CE2-CG 3.96Å; Y366-I391 HydrophobicContact CD2-CD1 4.45Å
367K94.8Very high93.5Very high39 Ų3931.8 Ų31.817%0.1717%0.171CC..Hα-helixtrans-54.9-44.7178.8-75.6169174.9168.50111.3D315 L318 I363 Q371D315-K367 WeakPolarHBondContact O-CE 3.37Å; D315-K367 PolarHBondContact O-NZ 2.92Å; D315-K367 IonicContact OD1-NZ 2.88Å; L318-K367 HydrophobicContact CD2-CB 3.7Å; L318-K367 HydrophobicContact CD2-CG 3.69Å; I363-K367 HydrophobicContact CG2-CD 3.96Å; I363-K367 VanDerWaalsContact CG2-CE 3.49Å; I363-K367 HydrophobicContact CG2-CG 4.48Å; I363-K367 WeakPolarHBondContact O-CB 3.48Å; I363-K367 VanDerWaalsContact O-CG 3.24Å; I363-K367 WeakPolarHBondContact O-CG 3.34Å; I363-K367 PolarHBondContact O-N 3.02Å; K367-Q371 WeakPolarHBondContact O-CB 3.41Å; K367-Q371 WeakPolarHBondContact O-CG 3.22Å; K367-Q371 PolarHBondContact O-N 3.01Å; K367-Q371 VanDerWaalsContact O-N 3.17Å
368S93.6Very high94Very high59 Ų5931.3 Ų31.341%0.41317%0.165SC..Hα-helixtrans-62.7-49.2174.8-178.10000112.4D364 I365 Y366 V370 Q371 K372D364-S368 PolarHBondContact O-N 3.33Å; I365-S368 WeakPolarHBondContact O-CB 3.48Å; I365-S368 PolarHBondContact O-N 3.42Å; Y366-S368 VanDerWaalsContact C-N 3.27Å; Y366-S368 PolarHBondContact O-N 2.98Å; S368-V370 PolarHBondContact O-N 2.78Å; S368-Q371 PolarHBondContact O-N 3.4Å; S368-K372 WeakPolarHBondContact O-CB 3.35Å; S368-K372 PolarHBondContact O-N 3.3Å
369T94.4Very high94.2Very high2 Ų234.5 Ų34.51%0.01218%0.182CC..Hα-helixtrans-63.1-42.6-179.2-63.30000112.4I365 Y366 K372 T373 L390 I391I365-T369 PolarHBondContact O-N 2.92Å; I365-T369 PolarHBondContact O-OG1 3.07Å; Y366-T369 PolarHBondContact O-N 3.49Å; Y366-T369 VanDerWaalsContact O-N 3.11Å; T369-K372 PolarHBondContact O-N 3.13Å; T369-T373 HydrophobicContact CG2-CG2 4.07Å; T369-T373 WeakPolarHBondContact O-CB 3.49Å; T369-T373 VanDerWaalsContact O-CG2 3.28Å; T369-T373 WeakPolarHBondContact O-CG2 3.49Å; T369-T373 PolarHBondContact O-N 2.89Å; T369-T373 PolarHBondContact O-OG1 2.84Å; T369-L390 HydrophobicContact CG2-CB 4.08Å; T369-L390 HydrophobicContact CG2-CD1 4.45Å; T369-I391 HydrophobicContact CG2-CG1 3.97Å
370V94.4Very high94.4Very high0 Ų035.1 Ų35.10%019%0.186CC..Hα-helixtrans-66.5-43.9179.1173.10000111.4L318 F323 Y366 S368 K372 T373 G374 W376L318-V370 HydrophobicContact CD1-CB 3.96Å; L318-V370 HydrophobicContact CD1-CG1 3.59Å; F323-V370 HydrophobicContact CE1-CG1 4.21Å; F323-V370 HydrophobicContact CZ-CG1 3.6Å; Y366-V370 HydrophobicContact CD2-CG2 3.66Å; Y366-V370 HydrophobicContact CE1-CG2 4.35Å; Y366-V370 HydrophobicContact CE2-CG2 3.25Å; Y366-V370 HydrophobicContact CG-CG2 4.37Å; Y366-V370 WeakPolarHBondContact O-CG2 3.32Å; Y366-V370 PolarHBondContact O-N 2.63Å; S368-V370 PolarHBondContact O-N 2.78Å; V370-K372 VanDerWaalsContact C-N 3.28Å; V370-K372 PolarHBondContact O-N 3.36Å; V370-T373 PolarHBondContact O-N 3.03Å; V370-G374 PolarHBondContact O-N 2.93Å; V370-W376 HydrophobicContact CG1-CE3 4.32Å; V370-W376 HydrophobicContact CG1-CZ3 4.2Å
371Q92.3Very high94.5Very high97 Ų9733.5 Ų33.545%0.45318%0.179SC..Hα-helixtrans-59.9-38173.6-76.8177.5-32.200112.3L318 A319 I321 K367 S368L318-Q371 HydrophobicContact CD2-CG 4.08Å; A319-Q371 PolarHBondContact O-NE2 2.8Å; I321-Q371 HydrophobicContact CG2-CG 4.05Å; K367-Q371 WeakPolarHBondContact O-CB 3.41Å; K367-Q371 WeakPolarHBondContact O-CG 3.22Å; K367-Q371 PolarHBondContact O-N 3.01Å; K367-Q371 VanDerWaalsContact O-N 3.17Å; S368-Q371 PolarHBondContact O-N 3.4Å
372K91.8Very high94.6Very high153 Ų15339.5 Ų39.567%0.66520%0.202SC*.Hα-helixtrans-74.8-35.8179.7-174.4-175178-171.50113.9S368 T369 V370S368-K372 WeakPolarHBondContact O-CB 3.35Å; S368-K372 PolarHBondContact O-N 3.3Å; T369-K372 PolarHBondContact O-N 3.13Å; V370-K372 VanDerWaalsContact C-N 3.28Å; V370-K372 PolarHBondContact O-N 3.36Å
373T93.4Very high94.7Very high38 Ų3840.8 Ų40.823%0.23321%0.21CC..Hα-helixtrans-104.5-3.9-168.962.30000114.8T369 V370 G375 R387 L390T369-T373 HydrophobicContact CG2-CG2 4.07Å; T369-T373 WeakPolarHBondContact O-CB 3.49Å; T369-T373 VanDerWaalsContact O-CG2 3.28Å; T369-T373 WeakPolarHBondContact O-CG2 3.49Å; T369-T373 PolarHBondContact O-N 2.89Å; T369-T373 PolarHBondContact O-OG1 2.84Å; V370-T373 PolarHBondContact O-N 3.03Å; T373-G375 PolarHBondContact O-N 2.81Å; T373-R387 HydrophobicContact CG2-CG 4.27Å; T373-R387 PolarHBondContact O-NH2 2.76Å; T373-R387 VanDerWaalsContact O-NH2 3.08Å; T373-R387 PolarHBondContact OG1-NE 3.39Å; T373-L390 HydrophobicContact CG2-CD1 3.41Å; T373-L390 VanDerWaalsContact CG2-CD1 3.41Å
374G91.9Very high94.9Very high30 Ų3043.3 Ų43.331%0.30922%0.223SC..THydrogen-bonded Turntrans66.233.8174.200000114.5F323 V370 R387F323-G374 VanDerWaalsContact CD1-C 3.43Å; V370-G374 PolarHBondContact O-N 2.93Å; G374-R387 PolarHBondContact O-NH2 3.17Å
375G93.2Very high95Very high4 Ų439.4 Ų39.44%0.04120%0.202CC..SBendtrans170177.3170.100000115.5F323 T373 R387F323-G375 VanDerWaalsContact CE1-N 3.35Å; T373-G375 PolarHBondContact O-N 2.81Å; G375-R387 VanDerWaalsContact C-CZ 3.45Å; G375-R387 VanDerWaalsContact C-NH1 3.31Å; G375-R387 VanDerWaalsContact CA-CZ 3.48Å; G375-R387 PolarHBondContact O-NE 2.93Å
376W96Very high94.9Very high23 Ų2344.8 Ų44.89%0.08723%0.227CC..  trans-68.4156.7-174.3-46.7121.2000114.4F323 D326 R329 V330 D333 V370 T378 R387F323-W376 HydrophobicContact CD2-CZ2 4.3Å; F323-W376 HydrophobicContact CE2-CD2 4.14Å; F323-W376 AromaticContact CE2-CE2 3.66Å; F323-W376 HydrophobicContact CE2-CE3 4.41Å; F323-W376 AromaticContact CE2-CH2 3.84Å; F323-W376 HydrophobicContact CE2-CH2 3.84Å; F323-W376 AromaticContact CE2-CZ2 3.52Å; F323-W376 HydrophobicContact CE2-CZ2 3.52Å; F323-W376 HydrophobicContact CE2-CZ3 4.26Å; F323-W376 HydrophobicContact CZ-CH2 4.37Å; F323-W376 HydrophobicContact CZ-CZ2 4.45Å; F323-W376 HydrophobicContact CZ-CZ3 4.46Å; D326-W376 HydrophobicContact CB-CZ2 4.13Å; R329-W376 HydrophobicContact CB-CB 4.49Å; R329-W376 VanDerWaalsContact CB-CD1 3.5Å; R329-W376 HydrophobicContact CB-CD2 3.71Å; R329-W376 HydrophobicContact CB-CG 3.66Å; R329-W376 HydrophobicContact CB-CZ2 4.28Å; R329-W376 HydrophobicContact CG-CG 4.44Å; V330-W376 HydrophobicContact CG2-CE3 4.21Å; V330-W376 HydrophobicContact CG2-CH2 3.44Å; V330-W376 VanDerWaalsContact CG2-CH2 3.44Å; V330-W376 HydrophobicContact CG2-CZ2 4.37Å; V330-W376 HydrophobicContact CG2-CZ3 3.34Å; D333-W376 VanDerWaalsContact OD2-CA 3.32Å; D333-W376 WeakPolarHBondContact OD2-CA 3.26Å; D333-W376 WeakPolarHBondContact OD2-CB 3.35Å; V370-W376 HydrophobicContact CG1-CE3 4.32Å; V370-W376 HydrophobicContact CG1-CZ3 4.2Å; W376-T378 VanDerWaalsContact C-N 3.34Å; W376-R387 WeakPolarHBondContact O-CD 3.44Å; W376-R387 PolarHBondContact O-NH1 2.98Å
377L96.8Very high95Very high1 Ų147.3 Ų47.31%0.00524%0.236CC..SBendtrans-74.1-28.9172.6-53.5178.7000112.1D333 F336 M337 Y366 N384 R387 I391D333-L377 VanDerWaalsContact CG-N 3.31Å; D333-L377 WeakPolarHBondContact OD1-CA 3.32Å; D333-L377 VanDerWaalsContact OD1-CB 3.32Å; D333-L377 WeakPolarHBondContact OD1-CB 3.48Å; D333-L377 PolarHBondContact OD1-N 3.04Å; D333-L377 PolarHBondContact OD2-N 2.88Å; F336-L377 HydrophobicContact CD1-CD1 4.27Å; M337-L377 HydrophobicContact CG-CD1 4.48Å; Y366-L377 HydrophobicContact CD2-CD1 3.8Å; Y366-L377 HydrophobicContact CD2-CG 4.02Å; Y366-L377 HydrophobicContact CE2-CD1 4.09Å; Y366-L377 HydrophobicContact CE2-CG 3.96Å; L377-N384 WeakPolarHBondContact O-CB 3.28Å; L377-N384 PolarHBondContact O-N 2.81Å; L377-R387 HydrophobicContact CD2-CB 3.7Å; L377-I391 HydrophobicContact CD1-CD1 3.5Å; L377-I391 VanDerWaalsContact CD1-CD1 3.5Å; L377-I391 HydrophobicContact CD2-CD1 3.65Å; L377-I391 HydrophobicContact CD2-CG1 4.48Å; L377-I391 HydrophobicContact CG-CD1 4.16Å
378T97.4Very high95Very high4 Ų445.5 Ų45.53%0.02523%0.229CC..EExtended strand (participates in β ladder)trans-132.9153.8-168.559.60000112.4R329 D332 D333 F336 W376 R382 L618R329-T378 PolarHBondContact NE-O 2.78Å; R329-T378 PolarHBondContact NH2-O 2.89Å; D332-T378 WeakPolarHBondContact CB-OG1 3.27Å; D333-T378 PolarHBondContact N-OG1 2.84Å; D333-T378 WeakPolarHBondContact OD1-CB 3.49Å; D333-T378 PolarHBondContact OD1-N 3.41Å; D333-T378 PolarHBondContact OD1-OG1 3.19Å; F336-T378 HydrophobicContact CB-CG2 3.75Å; F336-T378 HydrophobicContact CD1-CG2 4.03Å; F336-T378 HydrophobicContact CD2-CG2 4.17Å; F336-T378 HydrophobicContact CG-CG2 3.71Å; W376-T378 VanDerWaalsContact C-N 3.34Å; T378-R382 CarbonylContact C-O 3.53Å; T378-R382 VanDerWaalsContact CA-O 3.23Å; T378-R382 WeakPolarHBondContact CA-O 3.5Å; T378-L618 HydrophobicContact CG2-CD2 3.53Å
379D96.5Very high95.1Very high71 Ų7144.8 Ų44.838%0.3822%0.219SC..EExtended strand (participates in β ladder)trans-144.8108.6173.5-161.6-36.6000110.5R329 G381 R382R329-D379 IonicContact CZ-OD1 2.75Å; R329-D379 IonicContact CZ-OD2 2.67Å; R329-D379 IonicContact NH1-OD1 3.88Å; R329-D379 PolarHBondContact NH1-OD1 3.06Å; R329-D379 IonicContact NH1-OD2 3.75Å; R329-D379 PolarHBondContact NH1-OD2 3.38Å; R329-D379 IonicContact NH2-OD1 3.54Å; R329-D379 IonicContact NH2-OD2 3.17Å; R329-D379 PolarHBondContact NH2-OD2 2.91Å; D379-G381 VanDerWaalsContact C-N 3.27Å; D379-G381 PolarHBondContact O-N 2.77Å; D379-G381 VanDerWaalsContact O-N 3.16Å; D379-R382 PolarHBondContact N-O 2.87Å; D379-R382 WeakPolarHBondContact O-CB 3.5Å; D379-R382 PolarHBondContact O-N 3.41Å
380S95.6Very high95.1Very high14 Ų1447.1 Ų47.110%0.09823%0.231CC..THydrogen-bonded Turntrans51.247.9169.9-48.20000112.1R382 Q623 S852S380-R382 PolarHBondContact O-N 2.83Å; S380-Q623 PolarHBondContact O-NE2 2.87Å; S380-S852 WeakPolarHBondContact CA-OG 2.85Å; S380-S852 PolarHBondContact OG-N 3.37Å
381G94.4Very high95.2Very high7 Ų747.1 Ų47.17%0.07223%0.231CC..THydrogen-bonded Turntrans82.2-2.5-177.100000116.9D379D379-G381 VanDerWaalsContact C-N 3.27Å; D379-G381 PolarHBondContact O-N 2.77Å; D379-G381 VanDerWaalsContact O-N 3.16Å
382R95.8Very high95.4Very high166 Ų16642.5 Ų42.563%0.62621%0.21SC*.EExtended strand (participates in β ladder)trans-98.7144.7175.6-58.1-177.6176.6-164.8-2.6111.1T378 D379 S380T378-R382 CarbonylContact C-O 3.53Å; T378-R382 VanDerWaalsContact CA-O 3.23Å; T378-R382 WeakPolarHBondContact CA-O 3.5Å; D379-R382 PolarHBondContact N-O 2.87Å; D379-R382 WeakPolarHBondContact O-CB 3.5Å; D379-R382 PolarHBondContact O-N 3.41Å; S380-R382 PolarHBondContact O-N 2.83Å
383V96.9Very high95.5Very high29 Ų2938.5 Ų38.518%0.17620%0.198CC..EExtended strand (participates in β ladder)trans-106.4133.2-177.6-1760000111.1F336 L385 V388 C615 L618F336-V383 HydrophobicContact CD2-CG2 4.3Å; F336-V383 HydrophobicContact CE1-CG1 4.26Å; F336-V383 HydrophobicContact CE2-CG1 4.26Å; F336-V383 HydrophobicContact CE2-CG2 3.64Å; F336-V383 HydrophobicContact CZ-CG1 3.75Å; F336-V383 HydrophobicContact CZ-CG2 4.02Å; V383-L385 HydrophobicContact CB-CD2 4.43Å; V383-L385 HydrophobicContact CG1-CD2 3.82Å; V383-L385 HydrophobicContact CG1-CG 4.25Å; V383-L385 PolarHBondContact O-N 3.18Å; V383-V388 HydrophobicContact CG1-CG2 3.58Å; V383-C615 HydrophobicContact CG2-CB 4.4Å; V383-L618 HydrophobicContact CG2-CB 4.42Å; V383-L618 HydrophobicContact CG2-CD2 3.52Å
384N96.8Very high95.6Very high56 Ų5638.9 Ų38.930%0.29920%0.198SC..  trans-84.893.7165.6-174.9-49.1000109.6L377 E386 R387 V388L377-N384 WeakPolarHBondContact O-CB 3.28Å; L377-N384 PolarHBondContact O-N 2.81Å; N384-E386 VanDerWaalsContact C-N 3.28Å; N384-E386 PolarHBondContact O-N 3.45Å; N384-E386 PolarHBondContact OD1-N 2.89Å; N384-R387 HydrophobicContact CB-CB 4.37Å; N384-R387 HydrophobicContact CB-CG 4.45Å; N384-R387 PolarHBondContact O-N 2.77Å; N384-R387 WeakPolarHBondContact OD1-CG 3.16Å; N384-R387 PolarHBondContact OD1-N 2.91Å; N384-V388 WeakPolarHBondContact O-CG2 3.31Å; N384-V388 PolarHBondContact O-N 2.84Å; N384-V388 VanDerWaalsContact O-N 3.08Å
385L96.4Very high95.8Very high19 Ų1937.5 Ų37.510%0.09918%0.184CC..Hα-helixtrans-66.8-24.1-174.4-68.9171.2000114.2V383 Q389 I646 L649 V651V383-L385 HydrophobicContact CB-CD2 4.43Å; V383-L385 HydrophobicContact CG1-CD2 3.82Å; V383-L385 HydrophobicContact CG1-CG 4.25Å; V383-L385 PolarHBondContact O-N 3.18Å; L385-Q389 WeakPolarHBondContact O-CB 3.1Å; L385-Q389 PolarHBondContact O-N 2.86Å; L385-I646 WeakPolarHBondContact CD1-O 3.37Å; L385-I646 HydrophobicContact CD2-CD1 4.27Å; L385-L649 HydrophobicContact CD1-CB 4.01Å; L385-L649 HydrophobicContact CD1-CD1 4.39Å; L385-V651 HydrophobicContact CD1-CG2 3.72Å
386E95.6Very high95.8Very high129 Ų12938 Ų3860%0.60319%0.189SC*.Hα-helixtrans-65.3-46.2172.8-173.6-174.4-18000111.1N384 Q389 L390N384-E386 VanDerWaalsContact C-N 3.28Å; N384-E386 PolarHBondContact O-N 3.45Å; N384-E386 PolarHBondContact OD1-N 2.89Å; E386-Q389 WeakPolarHBondContact O-CB 3.43Å; E386-Q389 PolarHBondContact O-N 2.79Å; E386-L390 PolarHBondContact O-N 2.73Å
387R96Very high95.8Very high52 Ų5243.7 Ų43.720%0.19621%0.214CC..Hα-helixtrans-67-38.7176.1-68.4177.7172.9146.33.5112.1T373 G374 G375 W376 L377 N384 Q389 L390 I391T373-R387 HydrophobicContact CG2-CG 4.27Å; T373-R387 PolarHBondContact O-NH2 2.76Å; T373-R387 VanDerWaalsContact O-NH2 3.08Å; T373-R387 PolarHBondContact OG1-NE 3.39Å; G374-R387 PolarHBondContact O-NH2 3.17Å; G375-R387 VanDerWaalsContact C-CZ 3.45Å; G375-R387 VanDerWaalsContact C-NH1 3.31Å; G375-R387 VanDerWaalsContact CA-CZ 3.48Å; G375-R387 PolarHBondContact O-NE 2.93Å; W376-R387 WeakPolarHBondContact O-CD 3.44Å; W376-R387 PolarHBondContact O-NH1 2.98Å; L377-R387 HydrophobicContact CD2-CB 3.7Å; N384-R387 HydrophobicContact CB-CB 4.37Å; N384-R387 HydrophobicContact CB-CG 4.45Å; N384-R387 PolarHBondContact O-N 2.77Å; N384-R387 WeakPolarHBondContact OD1-CG 3.16Å; N384-R387 PolarHBondContact OD1-N 2.91Å; R387-Q389 VanDerWaalsContact C-N 3.34Å; R387-L390 PolarHBondContact O-N 3.15Å; R387-I391 PolarHBondContact O-N 3.03Å
388V96.2Very high95.7Very high2 Ų246.2 Ų46.21%0.01223%0.227CC..Hα-helixtrans-63.3-40.2174.2174.90000111.5F336 F340 V383 N384 L390 I391 M392 I646F336-V388 HydrophobicContact CE1-CG1 4.42Å; F336-V388 HydrophobicContact CE1-CG2 3.56Å; F336-V388 HydrophobicContact CZ-CG2 4.04Å; F340-V388 HydrophobicContact CE1-CG1 4.43Å; F340-V388 HydrophobicContact CZ-CG1 3.9Å; V383-V388 HydrophobicContact CG1-CG2 3.58Å; N384-V388 WeakPolarHBondContact O-CG2 3.31Å; N384-V388 PolarHBondContact O-N 2.84Å; N384-V388 VanDerWaalsContact O-N 3.08Å; V388-L390 PolarHBondContact O-N 2.78Å; V388-I391 PolarHBondContact O-N 2.97Å; V388-I391 VanDerWaalsContact O-N 3.11Å; V388-M392 HydrophobicContact CG1-CG 4.22Å; V388-M392 WeakPolarHBondContact O-CG 3.41Å; V388-M392 PolarHBondContact O-N 2.98Å; V388-I646 HydrophobicContact CB-CD1 4.3Å; V388-I646 HydrophobicContact CG1-CD1 3.96Å
389Q95.6Very high95.5Very high43 Ų4346.1 Ų46.120%0.20123%0.226CC..Hα-helixtrans-59.1-37.2177.3-169.2168.2-93.100111.7L385 E386 R387 M392 V393 I646L385-Q389 WeakPolarHBondContact O-CB 3.1Å; L385-Q389 PolarHBondContact O-N 2.86Å; E386-Q389 WeakPolarHBondContact O-CB 3.43Å; E386-Q389 PolarHBondContact O-N 2.79Å; R387-Q389 VanDerWaalsContact C-N 3.34Å; Q389-M392 PolarHBondContact O-N 2.96Å; Q389-V393 WeakPolarHBondContact O-CB 3.13Å; Q389-V393 VanDerWaalsContact O-CG2 3.25Å; Q389-V393 WeakPolarHBondContact O-CG2 3.49Å; Q389-V393 PolarHBondContact O-N 3.33Å; Q389-I646 HydrophobicContact CB-CD1 3.98Å; Q389-I646 HydrophobicContact CB-CG1 3.76Å; Q389-I646 HydrophobicContact CG-CG1 4.05Å
390L95Very high95.3Very high51 Ų5146.2 Ų46.227%0.26723%0.227SC..Hα-helixtrans-64.8-42.1175.1-66.7171.9000112.6T369 T373 E386 R387 V388 V393 D394T369-L390 HydrophobicContact CG2-CB 4.08Å; T369-L390 HydrophobicContact CG2-CD1 4.45Å; T373-L390 HydrophobicContact CG2-CD1 3.41Å; T373-L390 VanDerWaalsContact CG2-CD1 3.41Å; E386-L390 PolarHBondContact O-N 2.73Å; R387-L390 PolarHBondContact O-N 3.15Å; V388-L390 PolarHBondContact O-N 2.78Å; L390-V393 PolarHBondContact O-N 3.01Å; L390-D394 PolarHBondContact O-N 2.67Å
391I95.8Very high95.3Very high1 Ų150.2 Ų50.21%0.00524%0.244CC..Hα-helixtrans-62.9-44.2174.9-63.2-174.1000110.7L362 I365 Y366 T369 L377 R387 V388 D394 L395L362-I391 HydrophobicContact CD2-CG2 4.33Å; I365-I391 HydrophobicContact CG2-CB 4.17Å; I365-I391 HydrophobicContact CG2-CG1 4.19Å; I365-I391 HydrophobicContact CG2-CG2 3.81Å; Y366-I391 HydrophobicContact CD2-CD1 4.45Å; T369-I391 HydrophobicContact CG2-CG1 3.97Å; L377-I391 HydrophobicContact CD1-CD1 3.5Å; L377-I391 VanDerWaalsContact CD1-CD1 3.5Å; L377-I391 HydrophobicContact CD2-CD1 3.65Å; L377-I391 HydrophobicContact CD2-CG1 4.48Å; L377-I391 HydrophobicContact CG-CD1 4.16Å; R387-I391 PolarHBondContact O-N 3.03Å; V388-I391 PolarHBondContact O-N 2.97Å; V388-I391 VanDerWaalsContact O-N 3.11Å; I391-D394 PolarHBondContact O-N 2.71Å; I391-L395 WeakPolarHBondContact O-CB 3.43Å; I391-L395 PolarHBondContact O-N 3.04Å
392M95.5Very high95.2Very high0 Ų050.2 Ų50.20%024%0.242CC..Hα-helixtrans-66.6-36.7179.1-63.5-64.19800112.3F340 L349 V388 Q389 L395 G396 A640 F643F340-M392 HydrophobicContact CD1-CE 3.69Å; F340-M392 HydrophobicContact CD1-SD 3.95Å; F340-M392 HydrophobicContact CE1-CE 3.39Å; F340-M392 HydrophobicContact CE1-SD 3.58Å; F340-M392 VanDerWaalsContact CE1-SD 3.58Å; F340-M392 HydrophobicContact CE2-CE 4.33Å; F340-M392 HydrophobicContact CG-CE 4.28Å; F340-M392 HydrophobicContact CZ-CE 3.76Å; F340-M392 HydrophobicContact CZ-SD 4.41Å; L349-M392 HydrophobicContact CD1-SD 4.29Å; V388-M392 HydrophobicContact CG1-CG 4.22Å; V388-M392 WeakPolarHBondContact O-CG 3.41Å; V388-M392 PolarHBondContact O-N 2.98Å; Q389-M392 PolarHBondContact O-N 2.96Å; M392-L395 HydrophobicContact CE-CD2 4.15Å; M392-G396 WeakPolarHBondContact O-CA 3.3Å; M392-G396 PolarHBondContact O-N 2.87Å; M392-A640 HydrophobicContact SD-CB 4.38Å; M392-F643 HydrophobicContact CB-CB 3.67Å; M392-F643 HydrophobicContact CB-CD2 4.4Å; M392-F643 HydrophobicContact CB-CG 4.07Å; M392-F643 HydrophobicContact CG-CB 3.81Å; M392-F643 HydrophobicContact CG-CD1 3.99Å; M392-F643 HydrophobicContact CG-CD2 4.17Å; M392-F643 HydrophobicContact CG-CG 3.74Å; M392-F643 HydrophobicContact SD-CD1 4.33Å; M392-F643 HydrophobicContact SD-CD2 4.07Å; M392-F643 HydrophobicContact SD-CE1 4.42Å; M392-F643 HydrophobicContact SD-CE2 4.16Å; M392-F643 HydrophobicContact SD-CG 4.15Å; M392-F643 HydrophobicContact SD-CZ 4.33Å
393V94.6Very high95Very high69 Ų6942.4 Ų42.442%0.41821%0.213SC..Hα-helixtrans-65-40.8173.1164.10000112Q389 L390 K397Q389-V393 WeakPolarHBondContact O-CB 3.13Å; Q389-V393 VanDerWaalsContact O-CG2 3.25Å; Q389-V393 WeakPolarHBondContact O-CG2 3.49Å; Q389-V393 PolarHBondContact O-N 3.33Å; L390-V393 PolarHBondContact O-N 3.01Å; V393-K397 WeakPolarHBondContact O-CG 3.39Å; V393-K397 PolarHBondContact O-N 3.42Å
394D95.2Very high94.8Very high46 Ų4645.2 Ų45.225%0.24622%0.223CC..Hα-helixtrans-73.9-38.2178.5-78.1-12.6000112.1I365 L390 I391 K397I365-D394 HydrophobicContact CG2-CB 3.9Å; L390-D394 PolarHBondContact O-N 2.67Å; I391-D394 PolarHBondContact O-N 2.71Å; D394-K397 PolarHBondContact O-N 3.41Å; D394-K397 IonicContact OD1-NZ 3.52Å; D394-K397 PolarHBondContact OD1-NZ 2.98Å
395L95.5Very high94.6Very high0 Ų045.1 Ų45.10%022%0.222CC..Hα-helixtrans-63.3-40.6170.2179.160.6000111.7L349 L352 L362 I365 I391 M392 K397 M398 E399 I402 A640L349-L395 HydrophobicContact CD1-CD2 4.48Å; L352-L395 HydrophobicContact CD1-CD2 4.01Å; L352-L395 HydrophobicContact CD2-CD1 3.97Å; L352-L395 HydrophobicContact CD2-CD2 3.93Å; L352-L395 HydrophobicContact CG-CD2 4.13Å; L362-L395 HydrophobicContact CD2-CD2 4.3Å; I365-L395 HydrophobicContact CD1-CB 4.07Å; I365-L395 HydrophobicContact CD1-CD1 4.32Å; I391-L395 WeakPolarHBondContact O-CB 3.43Å; I391-L395 PolarHBondContact O-N 3.04Å; M392-L395 HydrophobicContact CE-CD2 4.15Å; L395-K397 PolarHBondContact O-N 2.96Å; L395-M398 WeakPolarHBondContact O-CB 3.23Å; L395-M398 PolarHBondContact O-N 3.48Å; L395-E399 WeakPolarHBondContact O-CG 3.07Å; L395-E399 PolarHBondContact O-N 3.41Å; L395-I402 HydrophobicContact CD1-CD1 4.23Å; L395-A640 HydrophobicContact CB-CB 3.96Å; L395-A640 HydrophobicContact CD2-CB 3.68Å; L395-A640 HydrophobicContact CG-CB 3.65Å
396G94.9Very high94.2Very high15 Ų1545.8 Ų45.816%0.15522%0.223CC..Hα-helixtrans-56.4-32.3177.400000113.9M392 M398M392-G396 WeakPolarHBondContact O-CA 3.3Å; M392-G396 PolarHBondContact O-N 2.87Å; G396-M398 VanDerWaalsContact C-N 3.26Å; G396-M398 PolarHBondContact O-N 2.96Å
397K95Very high93.8Very high142 Ų14240.8 Ų40.862%0.61720%0.199SC*.THydrogen-bonded Turntrans-72.2-17.5175-64.9162.2-165.1166.30113.5V393 D394 L395V393-K397 WeakPolarHBondContact O-CG 3.39Å; V393-K397 PolarHBondContact O-N 3.42Å; D394-K397 PolarHBondContact O-N 3.41Å; D394-K397 IonicContact OD1-NZ 3.52Å; D394-K397 PolarHBondContact OD1-NZ 2.98Å; L395-K397 PolarHBondContact O-N 2.96Å
398M94Very high93.5Very high55 Ų5543.3 Ų43.327%0.27121%0.213SC..THydrogen-bonded Turntrans-98.1-8.9-177.8-51.3-169.498.100113R361 I365 L395 G396 D400 E401 I402R361-M398 HydrophobicContact CG-SD 4.1Å; R361-M398 VanDerWaalsContact NH1-CE 3.33Å; I365-M398 HydrophobicContact CD1-SD 4.24Å; L395-M398 WeakPolarHBondContact O-CB 3.23Å; L395-M398 PolarHBondContact O-N 3.48Å; G396-M398 VanDerWaalsContact C-N 3.26Å; G396-M398 PolarHBondContact O-N 2.96Å; M398-D400 PolarHBondContact O-N 2.88Å; M398-E401 PolarHBondContact O-N 3.39Å; M398-E401 VanDerWaalsContact O-N 3.13Å; M398-I402 HydrophobicContact CB-CD1 3.91Å; M398-I402 HydrophobicContact CB-CG1 4.4Å; M398-I402 VanDerWaalsContact O-CG1 3.28Å; M398-I402 WeakPolarHBondContact O-CG1 3.18Å; M398-I402 PolarHBondContact O-N 2.94Å
399E94.3Very high93Very high1 Ų145.7 Ų45.71%0.00523%0.229CC..Hα-helixtrans-60.8-45.5-170.4-59.3-168.3108.800112.3S351 L395 E401 I402 F403 W583 F639 A640 S641S351-E399 WeakPolarHBondContact CB-OE1 3.43Å; S351-E399 PolarHBondContact OG-OE1 3.49Å; L395-E399 WeakPolarHBondContact O-CG 3.07Å; L395-E399 PolarHBondContact O-N 3.41Å; E399-E401 VanDerWaalsContact C-N 3.3Å; E399-E401 PolarHBondContact O-N 2.93Å; E399-I402 PolarHBondContact O-N 3.18Å; E399-F403 HydrophobicContact CB-CD2 4.47Å; E399-F403 HydrophobicContact CB-CE2 3.91Å; E399-F403 HydrophobicContact CB-CZ 4.41Å; E399-F403 WeakPolarHBondContact O-CD2 3.06Å; E399-F403 VanDerWaalsContact O-CG 3.27Å; E399-F403 WeakPolarHBondContact O-CG 3.48Å; E399-F403 PolarHBondContact O-N 2.86Å; E399-W583 HydrophobicContact CB-CH2 4.33Å; E399-W583 HydrophobicContact CB-CZ2 4.42Å; E399-F639 WeakPolarHBondContact OE1-CB 3.31Å; E399-F639 WeakPolarHBondContact OE2-CB 3.35Å; E399-A640 PolarHBondContact OE1-N 3.34Å; E399-A640 PolarHBondContact OE2-N 3.3Å; E399-S641 VanDerWaalsContact OE2-CB 3.3Å; E399-S641 WeakPolarHBondContact OE2-CB 3.16Å; E399-S641 PolarHBondContact OE2-N 2.95Å; E399-S641 PolarHBondContact OE2-OG 2.83Å
400D93.2Very high92.4Very high74 Ų7447.6 Ų47.640%0.39624%0.239SC..Hα-helixtrans-56.6-41.3174.9-74.6-42.3000113M398 K404 W583M398-D400 PolarHBondContact O-N 2.88Å; D400-K404 WeakPolarHBondContact O-CB 3.41Å; D400-K404 WeakPolarHBondContact O-CD 3.31Å; D400-K404 VanDerWaalsContact O-CG 3.27Å; D400-K404 WeakPolarHBondContact O-CG 3.44Å; D400-K404 PolarHBondContact O-N 3.01Å; D400-W583 PolarHBondContact OD1-NE1 2.83Å
401E93.7Very high91.9Very high98 Ų9847.6 Ų47.646%0.45824%0.238SC..Hα-helixtrans-70.6-44180-162.1-150.9127.300110.7M398 E399 F403 K404 N405M398-E401 PolarHBondContact O-N 3.39Å; M398-E401 VanDerWaalsContact O-N 3.13Å; E399-E401 VanDerWaalsContact C-N 3.3Å; E399-E401 PolarHBondContact O-N 2.93Å; E401-F403 PolarHBondContact O-N 3.12Å; E401-K404 PolarHBondContact O-N 3.18Å; E401-N405 VanDerWaalsContact O-CB 3.28Å; E401-N405 WeakPolarHBondContact O-CB 3.33Å; E401-N405 PolarHBondContact O-N 3.29Å; E401-N405 PolarHBondContact O-ND2 3.24Å; E401-N405 PolarHBondContact OE1-ND2 2.8Å
402I92.6Very high91.5Very high6 Ų651.4 Ų51.43%0.03126%0.256CS..Hα-helixtrans-58.4-47.9177.6-69163.2000110.3L395 M398 E399 N405 R406L395-I402 HydrophobicContact CD1-CD1 4.23Å; M398-I402 HydrophobicContact CB-CD1 3.91Å; M398-I402 HydrophobicContact CB-CG1 4.4Å; M398-I402 VanDerWaalsContact O-CG1 3.28Å; M398-I402 WeakPolarHBondContact O-CG1 3.18Å; M398-I402 PolarHBondContact O-N 2.94Å; E399-I402 PolarHBondContact O-N 3.18Å; I402-N405 PolarHBondContact O-N 2.89Å; I402-R406 WeakPolarHBondContact O-CB 3.47Å; I402-R406 PolarHBondContact O-N 2.95Å
403F92.7Very high90.7Very high3 Ų353.5 Ų53.51%0.01327%0.265CS..Hα-helixtrans-66.2-39.7-179.1-63.6-37.8000113.3P350 E399 E401 R407 F578 W583 F639P350-F403 HydrophobicContact CB-CE1 4.27Å; P350-F403 HydrophobicContact CB-CZ 4.21Å; E399-F403 HydrophobicContact CB-CD2 4.47Å; E399-F403 HydrophobicContact CB-CE2 3.91Å; E399-F403 HydrophobicContact CB-CZ 4.41Å; E399-F403 WeakPolarHBondContact O-CD2 3.06Å; E399-F403 VanDerWaalsContact O-CG 3.27Å; E399-F403 WeakPolarHBondContact O-CG 3.48Å; E399-F403 PolarHBondContact O-N 2.86Å; E401-F403 PolarHBondContact O-N 3.12Å; F403-R407 PolarHBondContact O-N 2.99Å; F403-F578 HydrophobicContact CB-CB 3.89Å; F403-F578 WeakPolarHBondContact CB-O 3.38Å; F403-F578 HydrophobicContact CD1-CB 4.1Å; F403-F578 HydrophobicContact CD1-CD1 4.2Å; F403-F578 HydrophobicContact CD1-CG 4.26Å; F403-F578 HydrophobicContact CD2-CB 4.3Å; F403-F578 HydrophobicContact CD2-CD1 4.08Å; F403-F578 HydrophobicContact CE1-CD1 4.1Å; F403-F578 HydrophobicContact CE1-CE1 4.46Å; F403-F578 AromaticContact CE2-CD1 3.97Å; F403-F578 HydrophobicContact CE2-CD1 3.97Å; F403-F578 HydrophobicContact CG-CB 3.84Å; F403-F578 HydrophobicContact CG-CD1 4.22Å; F403-F578 HydrophobicContact CG-CG 4.35Å; F403-F578 AromaticContact CZ-CD1 4Å; F403-F578 HydrophobicContact CZ-CD1 4Å; F403-F578 HydrophobicContact CZ-CE1 4.24Å; F403-W583 HydrophobicContact CD2-CD2 4.24Å; F403-W583 HydrophobicContact CD2-CZ2 4.28Å; F403-W583 HydrophobicContact CE2-CD2 4.14Å; F403-W583 AromaticContact CE2-CE3 3.98Å; F403-W583 HydrophobicContact CE2-CE3 3.98Å; F403-W583 AromaticContact CE2-CH2 3.88Å; F403-W583 HydrophobicContact CE2-CH2 3.88Å; F403-W583 AromaticContact CE2-CZ2 3.98Å; F403-W583 HydrophobicContact CE2-CZ2 3.98Å; F403-W583 AromaticContact CE2-CZ3 3.87Å; F403-W583 HydrophobicContact CE2-CZ3 3.87Å; F403-F639 HydrophobicContact CE2-CD1 4.4Å; F403-F639 HydrophobicContact CE2-CE1 4.21Å; F403-F639 HydrophobicContact CZ-CD1 4.05Å; F403-F639 AromaticContact CZ-CE1 3.87Å; F403-F639 HydrophobicContact CZ-CE1 3.87Å
404K92.6Very high90Very high88 Ų8852.5 Ų52.538%0.38325%0.254SS..Hα-helixtrans-66.7-43.5175.9-71.6168.5-177.3173.10111.2D400 E401 R406 R407 E408 W579 D581D400-K404 WeakPolarHBondContact O-CB 3.41Å; D400-K404 WeakPolarHBondContact O-CD 3.31Å; D400-K404 VanDerWaalsContact O-CG 3.27Å; D400-K404 WeakPolarHBondContact O-CG 3.44Å; D400-K404 PolarHBondContact O-N 3.01Å; E401-K404 PolarHBondContact O-N 3.18Å; K404-R406 PolarHBondContact O-N 3.48Å; K404-R407 PolarHBondContact O-N 2.97Å; K404-E408 PolarHBondContact O-N 3.21Å; K404-W579 VanDerWaalsContact CE-O 3.26Å; K404-W579 WeakPolarHBondContact CE-O 3.42Å; K404-W579 HydrophobicContact CG-CB 4.47Å; K404-D581 IonicContact NZ-OD1 2.65Å; K404-D581 PolarHBondContact NZ-OD1 3.06Å
405N91.3Very high89.4Confident53 Ų5353.6 Ų53.628%0.28326%0.26SS..Hα-helixtrans-65.3-36.6176.6-69-18.5000113.1E401 I402 S409E401-N405 VanDerWaalsContact O-CB 3.28Å; E401-N405 WeakPolarHBondContact O-CB 3.33Å; E401-N405 PolarHBondContact O-N 3.29Å; E401-N405 PolarHBondContact O-ND2 3.24Å; E401-N405 PolarHBondContact OE1-ND2 2.8Å; I402-N405 PolarHBondContact O-N 2.89Å; N405-S409 WeakPolarHBondContact O-CB 3.29Å; N405-S409 PolarHBondContact O-N 2.6Å; N405-S409 PolarHBondContact O-OG 3.4Å
406R89.6Confident88.7Confident33 Ų3357 Ų5713%0.12527%0.273CS..Hα-helixtrans-59.5-53.2173.5178.7178.3-60.6160.63.3110.7P350 E356 I402 K404 E408 S409 E410P350-R406 PolarHBondContact O-NH1 2.94Å; P350-R406 PolarHBondContact O-NH2 3.42Å; E356-R406 WeakPolarHBondContact OE1-CB 3.33Å; E356-R406 WeakPolarHBondContact OE1-CD 3.35Å; E356-R406 WeakPolarHBondContact OE1-CG 3.42Å; E356-R406 IonicContact OE1-CZ 2.71Å; E356-R406 IonicContact OE1-NE 2.82Å; E356-R406 PolarHBondContact OE1-NE 2.96Å; E356-R406 IonicContact OE1-NH2 2.63Å; E356-R406 IonicContact OE2-CZ 3.91Å; E356-R406 IonicContact OE2-NE 3.22Å; E356-R406 PolarHBondContact OE2-NE 2.98Å; E356-R406 IonicContact OE2-NH2 3.17Å; E356-R406 PolarHBondContact OE2-NH2 2.79Å; I402-R406 WeakPolarHBondContact O-CB 3.47Å; I402-R406 PolarHBondContact O-N 2.95Å; K404-R406 PolarHBondContact O-N 3.48Å; R406-E408 VanDerWaalsContact C-N 3.34Å; R406-E408 PolarHBondContact O-N 3.3Å; R406-S409 WeakPolarHBondContact O-CB 3.31Å; R406-S409 PolarHBondContact O-N 2.65Å; R406-S409 VanDerWaalsContact O-N 3.1Å; R406-E410 WeakPolarHBondContact O-CG 3.48Å; R406-E410 PolarHBondContact O-N 2.99Å
407R86.6Confident87.8Confident24 Ų2460.4 Ų60.49%0.09128%0.283CS..Hα-helixtrans-59.1-43.117917760.6-168.5176.22.7112.2F403 K404 S409 E410 L411 D571 W579F403-R407 PolarHBondContact O-N 2.99Å; K404-R407 PolarHBondContact O-N 2.97Å; R407-S409 VanDerWaalsContact C-N 3.33Å; R407-S409 PolarHBondContact O-N 3.19Å; R407-E410 PolarHBondContact O-N 3.3Å; R407-L411 HydrophobicContact CG-CD1 4.29Å; R407-L411 WeakPolarHBondContact O-CG 3.41Å; R407-L411 PolarHBondContact O-N 3.4Å; R407-D571 VanDerWaalsContact CZ-CG 3.41Å; R407-D571 IonicContact CZ-OD1 3.42Å; R407-D571 IonicContact CZ-OD2 2.95Å; R407-D571 IonicContact NE-OD1 3.58Å; R407-D571 IonicContact NE-OD2 2.84Å; R407-D571 IonicContact NH1-OD1 2.91Å; R407-D571 PolarHBondContact NH1-OD1 2.9Å; R407-D571 IonicContact NH1-OD2 3.78Å; R407-D571 IonicContact NH2-OD1 3.43Å; R407-D571 PolarHBondContact NH2-OD1 2.98Å; R407-D571 IonicContact NH2-OD2 2.69Å; R407-D571 PolarHBondContact NH2-OD2 2.83Å; R407-W579 HydrophobicContact CB-CB 3.91Å; R407-W579 HydrophobicContact CB-CD2 4.19Å; R407-W579 HydrophobicContact CB-CE3 4.05Å; R407-W579 HydrophobicContact CB-CG 4.16Å; R407-W579 HydrophobicContact CG-CB 4.01Å; R407-W579 HydrophobicContact CG-CD2 3.78Å; R407-W579 HydrophobicContact CG-CE3 3.99Å; R407-W579 HydrophobicContact CG-CG 3.79Å
408E89.3Confident87Confident105 Ų10556.5 Ų56.549%0.49127%0.265SS..Hα-helixtrans-61.6-42.8175.8-160.3-162.6148.500111.6K404 R406 E410 L411 Q412K404-E408 PolarHBondContact O-N 3.21Å; R406-E408 VanDerWaalsContact C-N 3.34Å; R406-E408 PolarHBondContact O-N 3.3Å; E408-E410 PolarHBondContact O-N 3.08Å; E408-L411 PolarHBondContact O-N 2.95Å; E408-Q412 WeakPolarHBondContact O-CB 3.42Å; E408-Q412 VanDerWaalsContact O-CG 3.27Å; E408-Q412 WeakPolarHBondContact O-CG 3.43Å; E408-Q412 PolarHBondContact O-N 2.75Å; E408-Q412 PolarHBondContact OE1-NE2 2.79Å
409S85.2Confident86.2Confident52 Ų5260.5 Ų60.536%0.36428%0.283SS..Hα-helixtrans-63.6-39.2179.2-61.60000112.7N405 R406 R407 F413N405-S409 WeakPolarHBondContact O-CB 3.29Å; N405-S409 PolarHBondContact O-N 2.6Å; N405-S409 PolarHBondContact O-OG 3.4Å; R406-S409 WeakPolarHBondContact O-CB 3.31Å; R406-S409 PolarHBondContact O-N 2.65Å; R406-S409 VanDerWaalsContact O-N 3.1Å; R407-S409 VanDerWaalsContact C-N 3.33Å; R407-S409 PolarHBondContact O-N 3.19Å; S409-F413 WeakPolarHBondContact O-CB 3.43Å; S409-F413 PolarHBondContact O-N 3.44Å
410E82.8Confident85.3Confident84 Ų8463.9 Ų63.939%0.39330%0.301SS..Hα-helixtrans-64.4-48.2174.5-71.6172.3172.700112R406 R407 E408 Q412 F413 R414R406-E410 WeakPolarHBondContact O-CG 3.48Å; R406-E410 PolarHBondContact O-N 2.99Å; R407-E410 PolarHBondContact O-N 3.3Å; E408-E410 PolarHBondContact O-N 3.08Å; E410-Q412 PolarHBondContact O-N 2.8Å; E410-F413 WeakPolarHBondContact O-CB 3.42Å; E410-F413 PolarHBondContact O-N 3.36Å; E410-R414 PolarHBondContact O-N 3.14Å
411L85.8Confident83.9Confident50 Ų5064.4 Ų64.426%0.26231%0.31SS..Hα-helixtrans-57.3-47.8174.6-78.5171.4000111.7R407 E408 F413 R414 N415 D567R407-L411 HydrophobicContact CG-CD1 4.29Å; R407-L411 WeakPolarHBondContact O-CG 3.41Å; R407-L411 PolarHBondContact O-N 3.4Å; E408-L411 PolarHBondContact O-N 2.95Å; L411-F413 PolarHBondContact O-N 3.4Å; L411-R414 PolarHBondContact O-N 3.47Å; L411-N415 WeakPolarHBondContact O-CB 3.17Å; L411-N415 PolarHBondContact O-N 3.18Å; L411-N415 PolarHBondContact O-ND2 3.02Å; L411-N415 VanDerWaalsContact O-ND2 3.16Å; L411-D567 HydrophobicContact CD2-CB 4.33Å; L411-D567 WeakPolarHBondContact CD2-OD1 3.35Å
412Q86.3Confident82.2Confident81 Ų8164 Ų6438%0.37932%0.318SS..Hα-helixtrans-62.3-31.4175.7-70.3-178.920.500112.5E408 E410 R416E408-Q412 WeakPolarHBondContact O-CB 3.42Å; E408-Q412 VanDerWaalsContact O-CG 3.27Å; E408-Q412 WeakPolarHBondContact O-CG 3.43Å; E408-Q412 PolarHBondContact O-N 2.75Å; E408-Q412 PolarHBondContact OE1-NE2 2.79Å; E410-Q412 PolarHBondContact O-N 2.8Å; Q412-R416 WeakPolarHBondContact O-CG 3.44Å; Q412-R416 PolarHBondContact O-N 2.82Å; Q412-R416 PolarHBondContact O-NE 2.79Å; Q412-R416 VanDerWaalsContact OE1-NH2 3.17Å
413F78.7Confident80.2Confident44 Ų4466.1 Ų66.119%0.19334%0.342CS..Hα-helixtrans-74.3-46.4176.2174.6-103.5000112S409 E410 L411 N415 R416 K417 S902S409-F413 WeakPolarHBondContact O-CB 3.43Å; S409-F413 PolarHBondContact O-N 3.44Å; E410-F413 WeakPolarHBondContact O-CB 3.42Å; E410-F413 PolarHBondContact O-N 3.36Å; L411-F413 PolarHBondContact O-N 3.4Å; F413-N415 VanDerWaalsContact C-N 3.31Å; F413-N415 PolarHBondContact O-N 3.42Å; F413-R416 WeakPolarHBondContact O-CB 3.45Å; F413-R416 PolarHBondContact O-N 2.82Å; F413-R416 VanDerWaalsContact O-N 3.13Å; F413-K417 PolarHBondContact O-N 2.83Å; F413-S902 VanDerWaalsContact CZ-CB 3.43Å; F413-S902 WeakPolarHBondContact CZ-O 3.48Å
414R79.7Confident78Confident48 Ų4872.2 Ų72.218%0.18138%0.375CS..Hα-helixtrans-54.3-48173.4-73179.372.8170.26.7111E410 L411 R416 K417 R418 E566 D567 M570E410-R414 PolarHBondContact O-N 3.14Å; L411-R414 PolarHBondContact O-N 3.47Å; R414-R416 VanDerWaalsContact C-N 3.33Å; R414-R416 PolarHBondContact O-N 2.87Å; R414-K417 PolarHBondContact O-N 2.82Å; R414-K417 VanDerWaalsContact O-N 3.14Å; R414-R418 WeakPolarHBondContact O-CG 3.39Å; R414-R418 PolarHBondContact O-N 3.37Å; R414-E566 PolarHBondContact NH2-O 2.59Å; R414-D567 WeakPolarHBondContact CD-OD1 3.16Å; R414-D567 IonicContact CZ-OD1 2.79Å; R414-D567 IonicContact CZ-OD2 2.75Å; R414-D567 IonicContact NE-OD1 2.75Å; R414-D567 PolarHBondContact NE-OD1 2.91Å; R414-D567 IonicContact NH1-OD1 3.36Å; R414-D567 PolarHBondContact NH1-OD1 2.87Å; R414-D567 IonicContact NH2-OD1 3.44Å; R414-D567 IonicContact NH2-OD2 3.89Å; R414-M570 PolarHBondContact NH1-SD 2.65Å; R414-M570 PolarHBondContact NH2-SD 3.27Å
415N83.4Confident75.6Confident70 Ų7071 Ų7137%0.37439%0.388SS..Hα-helixtrans-61.3-38.6178.2-75.4-33.6000112.8L411 F413 R418 Q419L411-N415 WeakPolarHBondContact O-CB 3.17Å; L411-N415 PolarHBondContact O-N 3.18Å; L411-N415 PolarHBondContact O-ND2 3.02Å; L411-N415 VanDerWaalsContact O-ND2 3.16Å; F413-N415 VanDerWaalsContact C-N 3.31Å; F413-N415 PolarHBondContact O-N 3.42Å; N415-R418 PolarHBondContact OD1-NH1 2.61Å; N415-Q419 VanDerWaalsContact O-CG 3.27Å; N415-Q419 WeakPolarHBondContact O-CG 3.34Å; N415-Q419 PolarHBondContact O-N 3.09Å
416R80.4Confident73.2Confident72 Ų7278.9 Ų78.927%0.27242%0.415SS..Hα-helixtrans-65.8-41.8172.5-79.6176.5-96.1178.4-16112.7Q412 F413 R414 Q419 N420 A899Q412-R416 WeakPolarHBondContact O-CG 3.44Å; Q412-R416 PolarHBondContact O-N 2.82Å; Q412-R416 PolarHBondContact O-NE 2.79Å; Q412-R416 VanDerWaalsContact OE1-NH2 3.17Å; F413-R416 WeakPolarHBondContact O-CB 3.45Å; F413-R416 PolarHBondContact O-N 2.82Å; F413-R416 VanDerWaalsContact O-N 3.13Å; R414-R416 VanDerWaalsContact C-N 3.33Å; R414-R416 PolarHBondContact O-N 2.87Å; R416-Q419 PolarHBondContact O-N 3.05Å; R416-N420 PolarHBondContact O-N 3.36Å; R416-N420 VanDerWaalsContact O-N 3.1Å; R416-A899 PolarHBondContact NH1-O 3.2Å
417K76Confident70.8Confident85 Ų8584.3 Ų84.337%0.3745%0.446SS..Hα-helixtrans-63.5-47.7177-164.9-178.7-177.3-1730111F413 R414 Q419 N420 S421F413-K417 PolarHBondContact O-N 2.83Å; R414-K417 PolarHBondContact O-N 2.82Å; R414-K417 VanDerWaalsContact O-N 3.14Å; K417-Q419 PolarHBondContact O-N 3.45Å; K417-N420 PolarHBondContact O-N 2.91Å; K417-S421 PolarHBondContact O-N 3.21Å; K417-S421 PolarHBondContact O-OG 2.99Å
418R78.6Confident68.4Low60 Ų6094.1 Ų94.123%0.22648%0.483CS..Hα-helixtrans-55.6-47.7175.5-70.7178.2178.5140.4-6.7111.9R414 N415 N420 S421 S422 E566 D567R414-R418 WeakPolarHBondContact O-CG 3.39Å; R414-R418 PolarHBondContact O-N 3.37Å; N415-R418 PolarHBondContact OD1-NH1 2.61Å; R418-N420 PolarHBondContact O-N 3.21Å; R418-S421 PolarHBondContact O-N 3.46Å; R418-S422 PolarHBondContact O-N 2.95Å; R418-S422 VanDerWaalsContact O-N 3.08Å; R418-S422 PolarHBondContact O-OG 3.5Å; R418-E566 IonicContact CZ-OE2 3.33Å; R418-E566 IonicContact NE-OE2 3.65Å; R418-E566 PolarHBondContact NE-OE2 3.21Å; R418-E566 IonicContact NH2-OE2 2.72Å; R418-E566 PolarHBondContact NH2-OE2 3.39Å; R418-D567 IonicContact CZ-OD2 2.65Å; R418-D567 VanDerWaalsContact CZ-OD2 3.24Å; R418-D567 IonicContact NH1-OD2 3.98Å; R418-D567 PolarHBondContact NH1-OD2 3.47Å; R418-D567 IonicContact NH2-OD2 3.48Å; R418-D567 PolarHBondContact NH2-OD2 3.12Å
419Q77.4Confident66Low139 Ų13996.7 Ų96.765%0.6550%0.5SS*.Hα-helixtrans-59.5-41.4176.9-74.6172.412.800113.1N415 R416 K417 G423N415-Q419 VanDerWaalsContact O-CG 3.27Å; N415-Q419 WeakPolarHBondContact O-CG 3.34Å; N415-Q419 PolarHBondContact O-N 3.09Å; R416-Q419 PolarHBondContact O-N 3.05Å; K417-Q419 PolarHBondContact O-N 3.45Å; Q419-G423 PolarHBondContact O-N 2.94Å
420N74.5Confident64Low72 Ų72102.7 Ų102.739%0.38552%0.523SS..Hα-helixtrans-65.6-39177.1-77.7-20000112.3R416 K417 R418 S903R416-N420 PolarHBondContact O-N 3.36Å; R416-N420 VanDerWaalsContact O-N 3.1Å; K417-N420 PolarHBondContact O-N 2.91Å; R418-N420 PolarHBondContact O-N 3.21Å; N420-S903 PolarHBondContact ND2-OG 2.81Å
421S65.4Low61.7Low85 Ų85110.6 Ų110.659%0.59455%0.549SS*.Hα-helixtrans-65.4-46176.8-60.30000112.3K417 R418 G423 N424K417-S421 PolarHBondContact O-N 3.21Å; K417-S421 PolarHBondContact O-OG 2.99Å; R418-S421 PolarHBondContact O-N 3.46Å; S421-G423 VanDerWaalsContact C-N 3.28Å; S421-G423 PolarHBondContact O-N 3.2Å; S421-N424 PolarHBondContact O-N 3.42Å
422S58.3Low59.1Low89 Ų89111.4 Ų111.462%0.62257%0.569SS**Hα-helixtrans-66-27.8179.7-54.70000113.6R418 N424R418-S422 PolarHBondContact O-N 2.95Å; R418-S422 VanDerWaalsContact O-N 3.08Å; R418-S422 PolarHBondContact O-OG 3.5Å; S422-N424 VanDerWaalsContact C-N 3.35Å; S422-N424 PolarHBondContact O-N 3.47Å
423G50.6Low56.6Low52 Ų52117.8 Ų117.854%0.53660%0.596SS.*Hα-helixtrans-72.1-20.2-177.700000115.5Q419 S421Q419-G423 PolarHBondContact O-N 2.94Å; S421-G423 VanDerWaalsContact C-N 3.28Å; S421-G423 PolarHBondContact O-N 3.2Å
424N46.4Very low54.3Low131 Ų131120.3 Ų120.370%0.70163%0.625SS**THydrogen-bonded Turntrans-89.4-16.7-172.6-121.621.4000114.2S421 S422S421-N424 PolarHBondContact O-N 3.42Å; S422-N424 VanDerWaalsContact C-N 3.35Å; S422-N424 PolarHBondContact O-N 3.47Å
425G41.7Very low51.9Low63 Ų63124 Ų12465%0.64966%0.655SS**SBendtrans-77.1-29.1-177.200000115.3
426Y40.6Very low49.6Very low218 Ų218129.9 Ų129.986%0.85568%0.68SS**THydrogen-bonded Turntrans-90.2-8-166-85.6-84.1000116.2
427N39.4Very low47.2Very low147 Ų147136.8 Ų136.879%0.78671%0.706SS**THydrogen-bonded Turntrans-108.83.9-172-114.3-29.4000115.4
428R36.7Very low45Very low230 Ų230139 Ų13987%0.86872%0.722SS**SBendtrans-86.7-12.2-178.5-149.6171.5-174.4171.31.8114.4
429N38.4Very low42.7Very low158 Ų158142 Ų14285%0.84574%0.742SS**SBendtrans-106.413.7-171.3-78.6-0.1000116.2
430Q42Very low40.5Very low179 Ų179143.5 Ų143.584%0.83675%0.749SS**SBendtrans-135.148.1179.4-68.5-16611.200115.3
431R34.9Very low38.2Very low250 Ų250148.9 Ų148.994%0.94377%0.771SS**  trans-143.290.1156.6-70.2-164.8178-174.3-1.1110.5
432G31.5Very low36.6Very low67 Ų67150.6 Ų150.669%0.69178%0.78SS**  trans-79.1154.2175.600000112.6
433F33.1Very low35Very low215 Ų215151.6 Ų151.694%0.94379%0.787SS**  trans-157.2125.3138.9-103.5-71000110.1
434A31Very low33.9Very low96 Ų96158.6 Ų158.679%0.79380%0.804SS**  trans59116.9164.700000120.2
435P30.4Very low32.8Very low126 Ų126161 Ų16182%0.81881%0.81SS**  trans-102.6134.9168.236.2-28.8000113.7
436Q34.5Very low32.1Very low193 Ų193164.3 Ų164.390%0.90282%0.818SS**  trans-146.7137.4155.6-67.3-176.7-1.200106.7
437R30.7Very low31.5Very low217 Ų217158.7 Ų158.782%0.81981%0.81SS**  cis178.1123-20.5-134.9-170.3-174.5-136.73.3103.1
438L29.7Very low30.8Very low132 Ų132160.4 Ų160.469%0.69181%0.814SS**  trans67.9141.3159.8-51.3151.2000115
439D29.1Very low30.4Very low123 Ų123155.7 Ų155.766%0.65882%0.816SS**  cis-163.4167.22.3-132.3-32.8000113.5
440H32.7Very low29.9Very low170 Ų170151.9 Ų151.979%0.78781%0.814SS**  trans75.5106.9161-6933.6000120.9
441H25.1Very low29.1Very low185 Ų185153.3 Ų153.386%0.85682%0.818SS**  trans-130.3139.5152.4-129.1-64.4000107.2
442P31.4Very low28.7Very low121 Ų121150.4 Ų150.479%0.78682%0.817SS**  trans-103128.1156.65.514.2000109.9
443S24.7Very low28.4Very low110 Ų110155.9 Ų155.977%0.76982%0.824SS**  trans-85.6157.4172.446.30000111.8
444F27.2Very low28.2Very low200 Ų200151.8 Ų151.888%0.87782%0.819SS**  trans-137.9116.3160.8-133.4-86000110.4V446F444-V446 HydrophobicContact CD1-CG2 4.17Å; F444-V446 HydrophobicContact CE1-CG2 4.32Å
445E23.6Very low27.9Very low181 Ų181154.9 Ų154.985%0.84682%0.821SS**  trans-89.4139.6168.3-61.9176.9129.700109.2
446V28.5Very low27.7Very low133 Ų133154.3 Ų154.381%0.80682%0.818SS**  trans-142138.9151.8-176.70000109.7F444F444-V446 HydrophobicContact CD1-CG2 4.17Å; F444-V446 HydrophobicContact CE1-CG2 4.32Å
447S26.3Very low27.4Very low100 Ų100153.7 Ų153.770%0.69982%0.819SS**  trans-96.2154.6-170.451.10000115.4
448Q25.6Very low27.1Very low183 Ų183153.5 Ų153.586%0.85582%0.824SS**  trans20125.1147.3-63.7-179.6-11.100120.3
449S28.1Very low27.2Very low131 Ų131150.9 Ų150.992%0.91683%0.83SS**  155.6154.711058.10000113.4
450G28.5Very low27.1Very low77 Ų77156.3 Ų156.379%0.79484%0.841SS**  trans13198.2163.300000116.5
451F24.4Very low26.8Very low210 Ų210157 Ų15792%0.92184%0.844SS**  trans-79.3140.6166.4-85.2-108.1000111.2
452M26.6Very low27Very low189 Ų189152.1 Ų152.193%0.93184%0.844SS**  trans-146.8135.5152.7-79-164.97500111.1
453E24.7Very low26.8Very low181 Ų181153.6 Ų153.685%0.84684%0.843SS**PPolyproline II helixtrans-88.2153.6-178-57.8172.913600112.6
454P28.5Very low27.1Very low129 Ų129152.3 Ų152.384%0.83884%0.839SS**PPolyproline II helixtrans-94137.71677.112.4000113.1
455I26.3Very low27.3Very low162 Ų162150.3 Ų150.383%0.83183%0.833SS**PPolyproline II helixtrans-81.1140.8-174.8-61.8162.1000111.4
456P25.8Very low27.7Very low114 Ų114147.4 Ų147.474%0.7483%0.829SS**PPolyproline II helixtrans-83125.5-176.631.4-34.7000114.1
457L27.7Very low28Very low180 Ų180149.7 Ų149.794%0.94283%0.828SS**PPolyproline II helixtrans-89.8122.5166.5-89.6157.6000110.8
458K25.3Very low28.1Very low212 Ų212148.3 Ų148.392%0.92283%0.83SS**PPolyproline II helixtrans-80.9133.6-179.6-67.4175.1174.7175.50111.5
459G30.1Very low28.3Very low78 Ų78148.2 Ų148.280%0.80483%0.829SS**  trans-170.492.8174.700000116.7
460R28.7Very low28.6Very low237 Ų237152.1 Ų152.189%0.89483%0.825SS**  trans5.9118.3163.2-74.1178167.8175.1-4.2121.6
461H26.1Very low28.6Very low185 Ų185154.9 Ų154.986%0.85683%0.826SS**  trans3.8130.1132.3-55.283.3000119.5
462G28Very low29Very low82 Ų82151.7 Ų151.785%0.84582%0.819SS**  trans-131.7125.1159.100000110.7
463I29Very low29.2Very low151 Ų151152 Ų15277%0.77482%0.818SS**  trans-104.1133.8-177.6-65167.1000108.5H465I463-H465 PolarHBondContact O-N 2.94Å
464A30.8Very low29.5Very low83 Ų83149.6 Ų149.669%0.68682%0.816SS**  trans-72.6120.217300000110.3
465H31.4Very low29.7Very low159 Ų159148 Ų14874%0.73680%0.804SS**  trans-102.2149.3177.4-140.1-83.3000109.8I463 K467I463-H465 PolarHBondContact O-N 2.94Å; H465-K467 PolarHBondContact O-N 3.25Å
466P30.9Very low30.2Very low120 Ų120142.4 Ų142.478%0.77978%0.779SS**SBendtrans-70.720.3-171.8-22.435.6000117.3
467K34.2Very low30.8Very low181 Ų181140.4 Ų140.479%0.78777%0.771SS**SBendtrans-140.3108.4174.6-66.5-173.4-179.5-179.10108H465 H469H465-K467 PolarHBondContact O-N 3.25Å; K467-H469 PolarHBondContact O-N 3.28Å
468G29.3Very low31.4Very low70 Ų70137.6 Ų137.672%0.72276%0.757SS**  trans-71.5114.4-164.700000114.5
469H30.1Very low32.1Very low181 Ų181133 Ų13384%0.83874%0.739SS**  trans-138.4119.9157.3-73.2-33.8000108.5K467K467-H469 PolarHBondContact O-N 3.28Å
470Y33.1Very low32.4Very low214 Ų214134.1 Ų134.184%0.83973%0.726SS**  trans-92.9121.8168.9-73.7-85.9000108.7
471T28.8Very low33Very low134 Ų134127.1 Ų127.182%0.82271%0.706SS**  trans-105.1103.2169.855.30000109.2
472N34.3Very low33.7Very low143 Ų143121.2 Ų121.277%0.76569%0.689SS**PPolyproline II helixtrans-72.8127.6175.7-74.3-18.1000110.7V474N472-V474 HydrophobicContact CB-CG2 4.41Å
473Q29.6Very low34.1Very low197 Ų197120.6 Ų120.692%0.92168%0.676SS**PPolyproline II helixtrans-100.1117.5150.6-77.2-171.3-24.400107.3
474V32Very low34.5Very low130 Ų130122.5 Ų122.579%0.78867%0.673SS**PPolyproline II helixtrans-85.5124-172.2178.40000109.6N472N472-V474 HydrophobicContact CB-CG2 4.41Å
475V32Very low34.9Very low96 Ų96128.3 Ų128.358%0.58268%0.678SS**PPolyproline II helixtrans-78.1132.7162.3178.70000107.6E479V475-E479 HydrophobicContact CG1-CB 3.99Å
476S37.2Very low35Very low44 Ų44131 Ų13131%0.30868%0.683SS.*PPolyproline II helixtrans-71.7152.4-173.768.70000112.6D478 E479 L480S476-D478 PolarHBondContact O-N 3.01Å; S476-E479 WeakPolarHBondContact CB-OE2 3.46Å; S476-E479 PolarHBondContact N-OE2 2.82Å; S476-E479 PolarHBondContact O-N 2.97Å; S476-E479 VanDerWaalsContact OG-CD 3.26Å; S476-E479 VanDerWaalsContact OG-CG 3.24Å; S476-E479 WeakPolarHBondContact OG-CG 3.38Å; S476-E479 PolarHBondContact OG-N 3.16Å; S476-E479 PolarHBondContact OG-OE2 3.15Å; S476-L480 PolarHBondContact O-N 2.91Å
477A38.1Very low35.3Very low71 Ų71133.7 Ų133.759%0.58769%0.685SS**Hα-helixtrans-60.5-30.7174.100000112.2L480 L481A477-L480 PolarHBondContact O-N 3.12Å; A477-L481 WeakPolarHBondContact O-CB 3.41Å; A477-L481 WeakPolarHBondContact O-CG 3.48Å; A477-L481 PolarHBondContact O-N 2.84Å
478D40.8Very low35Very low122 Ų122128.4 Ų128.465%0.65268%0.681SS**Hα-helixtrans-68.6-37.1176.1-76.9-40000112.9S476 L481 A482S476-D478 PolarHBondContact O-N 3.01Å; D478-L481 PolarHBondContact O-N 3.03Å; D478-A482 WeakPolarHBondContact O-CB 3.38Å; D478-A482 PolarHBondContact O-N 2.88Å
479E39.6Very low35Very low115 Ų115136.4 Ų136.454%0.53769%0.69SS.*Hα-helixtrans-66.1-37.9174.6-73.9161.912900111.7V475 S476 A482 A483V475-E479 HydrophobicContact CG1-CB 3.99Å; S476-E479 WeakPolarHBondContact CB-OE2 3.46Å; S476-E479 PolarHBondContact N-OE2 2.82Å; S476-E479 PolarHBondContact O-N 2.97Å; S476-E479 VanDerWaalsContact OG-CD 3.26Å; S476-E479 VanDerWaalsContact OG-CG 3.24Å; S476-E479 WeakPolarHBondContact OG-CG 3.38Å; S476-E479 PolarHBondContact OG-N 3.16Å; S476-E479 PolarHBondContact OG-OE2 3.15Å; E479-A482 PolarHBondContact O-N 3.27Å; E479-A483 PolarHBondContact O-N 3.15Å; E479-A483 VanDerWaalsContact O-N 3.17Å
480L36.1Very low35Very low101 Ų101134.2 Ų134.253%0.52969%0.694SS.*Hα-helixtrans-68.8-35.4172.8-81.7160.9000112.9S476 A477 R484S476-L480 PolarHBondContact O-N 2.91Å; A477-L480 PolarHBondContact O-N 3.12Å; L480-R484 PolarHBondContact O-N 3.38Å
481L41.5Very low34.8Very low91 Ų91130 Ų13048%0.47668%0.682SS.*Hα-helixtrans-72.5-34.3174.6-81.5163.6000112.6A477 D478A477-L481 WeakPolarHBondContact O-CB 3.41Å; A477-L481 WeakPolarHBondContact O-CG 3.48Å; A477-L481 PolarHBondContact O-N 2.84Å; D478-L481 PolarHBondContact O-N 3.03Å
482A41.3Very low35Very low60 Ų60132.5 Ų132.550%0.49668%0.684SS.*Hα-helixtrans-66.6-44.9175.900000111.6D478 E479 R484 R485D478-A482 WeakPolarHBondContact O-CB 3.38Å; D478-A482 PolarHBondContact O-N 2.88Å; E479-A482 PolarHBondContact O-N 3.27Å; A482-R484 VanDerWaalsContact C-N 3.29Å; A482-R484 PolarHBondContact O-N 3.44Å; A482-R485 PolarHBondContact O-N 2.77Å
483A35.4Very low34.7Very low69 Ų69131.5 Ų131.557%0.5769%0.688SS**Hα-helixtrans-61.2-33.6178.600000113.3E479 R485E479-A483 PolarHBondContact O-N 3.15Å; E479-A483 VanDerWaalsContact O-N 3.17Å; A483-R485 PolarHBondContact O-N 2.9Å
484R37.1Very low35Very low191 Ų191126.6 Ų126.672%0.72167%0.671SS**Hα-helixtrans-75.8-16.8-179.2-73.5-176.3-177.6-166.71.8114.8L480 A482 Y486L480-R484 PolarHBondContact O-N 3.38Å; A482-R484 VanDerWaalsContact C-N 3.29Å; A482-R484 PolarHBondContact O-N 3.44Å; R484-Y486 VanDerWaalsContact C-N 3.26Å; R484-Y486 PolarHBondContact O-N 3.44Å
485R39.3Very low35.5Very low205 Ų205124.1 Ų124.177%0.77465%0.654SS**THydrogen-bonded Turntrans-75.9-7.7-178-69.2-179-165.2-167.85.3114.4A482 A483A482-R485 PolarHBondContact O-N 2.77Å; A483-R485 PolarHBondContact O-N 2.9Å
486Y35.2Very low35.5Very low216 Ų216123.8 Ų123.885%0.84764%0.642SS**THydrogen-bonded Turntrans-101.1-1.2-173.2-108.7-85.4000116.3R484R484-Y486 VanDerWaalsContact C-N 3.26Å; R484-Y486 PolarHBondContact O-N 3.44Å
487Q36Very low35.4Very low177 Ų177124.4 Ų124.483%0.82764%0.644SS**  trans-106.412.9-177-75.7-172.3-30.400115.1R489Q487-R489 PolarHBondContact O-N 3.04Å
488G28.4Very low35.4Very low69 Ų69124.4 Ų124.471%0.71163%0.634SS**  trans-79.675.3-17600000115.2
489R29Very low35.4Very low239 Ų239125.1 Ų125.190%0.90263%0.628SS**  trans175.7101.7150.7-100.2166.8-152.1-143.15.5112.3Q487Q487-R489 PolarHBondContact O-N 3.04Å
490C29.4Very low35.6Very low135 Ų135122.4 Ų122.491%0.91262%0.617SS**  trans169.8127.9139.9-87.90000107.9
491Q29.6Very low36Very low126 Ų126120.7 Ų120.759%0.58961%0.608SS**  trans-119.7120.9178.3-79.8-179.6-45.300109.1E140 R144E140-Q491 PolarHBondContact OE2-NE2 3.3Å; R144-Q491 VanDerWaalsContact NH2-CD 3.32Å
492E32.3Very low36.2Very low186 Ų186120.3 Ų120.387%0.86961%0.606SS**  trans-136.8147.8154.4-91.9-178.4174.900108.7V494E492-V494 PolarHBondContact O-N 3.19Å
493S29.5Very low36.8Very low122 Ų122121.8 Ų121.885%0.85361%0.606SS**  trans-76.1112.5-168.250.30000112.1
494V35Very low37.6Very low93 Ų93122.4 Ų122.456%0.56460%0.599SS**  trans-140.4129.5174.7-162.10000110.2E492 D498E492-V494 PolarHBondContact O-N 3.19Å; V494-D498 HydrophobicContact CG1-CB 4.46Å
495N42.6Very low38.1Very low79 Ų79115.2 Ų115.242%0.42257%0.574SS.*  trans-47.4130.2-175.6-170.5-50.4000112.7V497 D498 R499N495-V497 PolarHBondContact O-N 2.88Å; N495-V497 VanDerWaalsContact O-N 3.15Å; N495-V497 WeakPolarHBondContact OD1-CB 3.5Å; N495-V497 PolarHBondContact OD1-N 2.99Å; N495-D498 HydrophobicContact CB-CB 4.41Å; N495-D498 PolarHBondContact O-N 3.32Å; N495-R499 PolarHBondContact O-N 2.68Å
496W31.9Very low38.7Very low88 Ų88108 Ų10833%0.33356%0.558SS.*Hα-helixtrans-57.7-30.3-177.6-17594.6000113.8E275 R499 N500E275-W496 WeakPolarHBondContact OE1-CB 3.5Å; E275-W496 WeakPolarHBondContact OE2-CB 3.44Å; E275-W496 PolarHBondContact OE2-N 3.41Å; W496-R499 PolarHBondContact O-N 2.92Å; W496-N500 VanDerWaalsContact CE2-ND2 3.32Å; W496-N500 WeakPolarHBondContact CH2-ND2 3.49Å; W496-N500 WeakPolarHBondContact CZ2-ND2 3.25Å; W496-N500 VanDerWaalsContact CZ3-ND2 3.35Å; W496-N500 WeakPolarHBondContact CZ3-ND2 3.32Å; W496-N500 PolarHBondContact O-N 3.47Å
497V35.9Very low39.6Very low57 Ų57100.3 Ų100.335%0.34554%0.539SS..Hα-helixtrans-65.3-46.4174.9-177.70000110.9N495 R499 N500 L501N495-V497 PolarHBondContact O-N 2.88Å; N495-V497 VanDerWaalsContact O-N 3.15Å; N495-V497 WeakPolarHBondContact OD1-CB 3.5Å; N495-V497 PolarHBondContact OD1-N 2.99Å; V497-R499 VanDerWaalsContact C-N 3.29Å; V497-R499 PolarHBondContact O-N 2.88Å; V497-N500 PolarHBondContact O-N 2.94Å; V497-L501 WeakPolarHBondContact O-CB 3.46Å; V497-L501 PolarHBondContact O-N 2.66Å
498D38.3Very low40.3Very low72 Ų7292.8 Ų92.839%0.38551%0.505SS..Hα-helixtrans-67.7-32176.1-65.4-28.3000110.7V494 N495 L501 N502V494-D498 HydrophobicContact CG1-CB 4.46Å; N495-D498 HydrophobicContact CB-CB 4.41Å; N495-D498 PolarHBondContact O-N 3.32Å; D498-L501 PolarHBondContact O-N 2.91Å; D498-N502 VanDerWaalsContact O-CB 3.23Å; D498-N502 WeakPolarHBondContact O-CB 3.08Å; D498-N502 PolarHBondContact O-N 2.68Å; D498-N502 PolarHBondContact O-ND2 3.3Å; D498-N502 PolarHBondContact O-OD1 3.18Å
499R40.4Very low41.4Very low137 Ų13791.2 Ų91.252%0.51749%0.485SS..Hα-helixtrans-68.3-39.3176.1-170.9174.3172.6176-2.2113N495 W496 V497 N503N495-R499 PolarHBondContact O-N 2.68Å; W496-R499 PolarHBondContact O-N 2.92Å; V497-R499 VanDerWaalsContact C-N 3.29Å; V497-R499 PolarHBondContact O-N 2.88Å; R499-N503 WeakPolarHBondContact O-CB 3.32Å; R499-N503 PolarHBondContact O-N 2.8Å; R499-N503 PolarHBondContact O-ND2 2.81Å
500N42.6Very low42.7Very low57 Ų5784.8 Ų84.831%0.30547%0.468SS..Hα-helixtrans-71.7-34.4173.4-83.7-25.9000112.3W496 V497 N503 L504W496-N500 VanDerWaalsContact CE2-ND2 3.32Å; W496-N500 WeakPolarHBondContact CH2-ND2 3.49Å; W496-N500 WeakPolarHBondContact CZ2-ND2 3.25Å; W496-N500 VanDerWaalsContact CZ3-ND2 3.35Å; W496-N500 WeakPolarHBondContact CZ3-ND2 3.32Å; W496-N500 PolarHBondContact O-N 3.47Å; V497-N500 PolarHBondContact O-N 2.94Å; N500-N503 PolarHBondContact O-N 2.81Å; N500-L504 WeakPolarHBondContact O-CB 3.47Å; N500-L504 PolarHBondContact O-N 3.14Å
501L44.8Very low43.9Very low65 Ų6583.2 Ų83.234%0.3445%0.446SS..Hα-helixtrans-64.4-49.2171.9-163.470.3000110.9V497 D498 N503 L504 E505V497-L501 WeakPolarHBondContact O-CB 3.46Å; V497-L501 PolarHBondContact O-N 2.66Å; D498-L501 PolarHBondContact O-N 2.91Å; L501-N503 VanDerWaalsContact C-N 3.33Å; L501-N503 PolarHBondContact O-N 2.72Å; L501-L504 CarbonylContact O-C 3.52Å; L501-L504 WeakPolarHBondContact O-CB 3.38Å; L501-L504 PolarHBondContact O-N 3.46Å; L501-L504 VanDerWaalsContact O-N 3.07Å; L501-E505 WeakPolarHBondContact O-CB 3.13Å; L501-E505 WeakPolarHBondContact O-CG 3.44Å; L501-E505 PolarHBondContact O-N 3.4Å
502N45.3Very low45Very low83 Ų8378.3 Ų78.344%0.44443%0.427SS..Hα-helixtrans-61.1-37.5175.7-69.7-12.6000112.5D498 A506D498-N502 VanDerWaalsContact O-CB 3.23Å; D498-N502 WeakPolarHBondContact O-CB 3.08Å; D498-N502 PolarHBondContact O-N 2.68Å; D498-N502 PolarHBondContact O-ND2 3.3Å; D498-N502 PolarHBondContact O-OD1 3.18Å; N502-A506 WeakPolarHBondContact O-CB 3.25Å; N502-A506 PolarHBondContact O-N 3.06Å
503N55.8Low46Very low92 Ų9275.8 Ų75.849%0.49242%0.417SS..Hα-helixtrans-64.5-39.8173.5-77.3-21.3000111.7R499 N500 L501 A507R499-N503 WeakPolarHBondContact O-CB 3.32Å; R499-N503 PolarHBondContact O-N 2.8Å; R499-N503 PolarHBondContact O-ND2 2.81Å; N500-N503 PolarHBondContact O-N 2.81Å; L501-N503 VanDerWaalsContact C-N 3.33Å; L501-N503 PolarHBondContact O-N 2.72Å; N503-A507 VanDerWaalsContact O-CB 3.25Å; N503-A507 WeakPolarHBondContact O-CB 3.46Å; N503-A507 PolarHBondContact O-N 2.88Å
504L51.7Low47.2Very low82 Ų8276.2 Ų76.243%0.42941%0.409SS..Hα-helixtrans-70.7-43.6177-176.865.2000111.5N500 L501 A507 T508 L706N500-L504 WeakPolarHBondContact O-CB 3.47Å; N500-L504 PolarHBondContact O-N 3.14Å; L501-L504 CarbonylContact O-C 3.52Å; L501-L504 WeakPolarHBondContact O-CB 3.38Å; L501-L504 PolarHBondContact O-N 3.46Å; L501-L504 VanDerWaalsContact O-N 3.07Å; L504-A507 PolarHBondContact O-N 2.97Å; L504-T508 WeakPolarHBondContact O-CB 3.33Å; L504-T508 PolarHBondContact O-N 2.9Å; L504-T508 PolarHBondContact O-OG1 3.34Å; L504-L706 HydrophobicContact CD2-CD1 3.7Å
505E47.8Very low47.9Very low40 Ų4079.1 Ų79.119%0.18741%0.414CS..Hα-helixtrans-60.6-46173.8-73.4177.8-172.300110.9L501 T508 A509 M570L501-E505 WeakPolarHBondContact O-CB 3.13Å; L501-E505 WeakPolarHBondContact O-CG 3.44Å; L501-E505 PolarHBondContact O-N 3.4Å; E505-T508 PolarHBondContact O-N 3.34Å; E505-A509 VanDerWaalsContact O-CB 3.26Å; E505-A509 WeakPolarHBondContact O-CB 3.22Å; E505-A509 PolarHBondContact O-N 3.18Å; E505-M570 WeakPolarHBondContact OE1-CG 3.39Å
506A52.1Low48Very low54 Ų5485 Ų8545%0.44643%0.43SS..Hα-helixtrans-61.8-44.417500000112.3N502 T508 L510N502-A506 WeakPolarHBondContact O-CB 3.25Å; N502-A506 PolarHBondContact O-N 3.06Å; A506-T508 VanDerWaalsContact C-N 3.29Å; A506-T508 PolarHBondContact O-N 2.88Å; A506-L510 WeakPolarHBondContact O-CB 3.31Å; A506-L510 PolarHBondContact O-N 2.86Å
507A53.3Low48.4Very low53 Ų5387.6 Ų87.644%0.43845%0.451SS..Hα-helixtrans-64.2-34.2176.400000112.4N503 L504 K511N503-A507 VanDerWaalsContact O-CB 3.25Å; N503-A507 WeakPolarHBondContact O-CB 3.46Å; N503-A507 PolarHBondContact O-N 2.88Å; L504-A507 PolarHBondContact O-N 2.97Å; A507-K511 PolarHBondContact O-N 3.01Å
508T51.6Low48.6Very low20 Ų2094.2 Ų94.212%0.12348%0.475CS..Hα-helixtrans-83.8-33.8-178.4-40.40000112.1L504 E505 A506 K511 A512 A573L504-T508 WeakPolarHBondContact O-CB 3.33Å; L504-T508 PolarHBondContact O-N 2.9Å; L504-T508 PolarHBondContact O-OG1 3.34Å; E505-T508 PolarHBondContact O-N 3.34Å; A506-T508 VanDerWaalsContact C-N 3.29Å; A506-T508 PolarHBondContact O-N 2.88Å; T508-K511 WeakPolarHBondContact O-CB 3.22Å; T508-K511 PolarHBondContact O-N 3Å; T508-A512 WeakPolarHBondContact O-CB 3.5Å; T508-A512 PolarHBondContact O-N 2.67Å; T508-A573 VanDerWaalsContact CG2-CA 3.49Å; T508-A573 HydrophobicContact CG2-CB 3.77Å; T508-A573 WeakPolarHBondContact CG2-O 3.42Å
509A51.2Low48.5Very low36 Ų3696.4 Ų96.430%0.29849%0.493SS..Hα-helixtrans-59.8-44.5165.600000111.2E505 K511 A512 M513E505-A509 VanDerWaalsContact O-CB 3.26Å; E505-A509 WeakPolarHBondContact O-CB 3.22Å; E505-A509 PolarHBondContact O-N 3.18Å; A509-K511 PolarHBondContact O-N 2.83Å; A509-A512 CarbonylContact O-C 3.6Å; A509-A512 PolarHBondContact O-N 3.09Å; A509-A512 VanDerWaalsContact O-N 3.08Å; A509-M513 WeakPolarHBondContact O-CG 3.32Å; A509-M513 PolarHBondContact O-N 3.47Å
510L54.8Low48.1Very low104 Ų10497.2 Ų97.255%0.54551%0.506SS..Hα-helixtrans-57.5-46.6172.5-104.1160.2000112.1A506 A512 M513 L514A506-L510 WeakPolarHBondContact O-CB 3.31Å; A506-L510 PolarHBondContact O-N 2.86Å; L510-A512 VanDerWaalsContact C-N 3.31Å; L510-A512 PolarHBondContact O-N 3.29Å; L510-M513 PolarHBondContact O-N 3.13Å; L510-L514 WeakPolarHBondContact O-CB 3.12Å; L510-L514 VanDerWaalsContact O-CG 3.26Å; L510-L514 WeakPolarHBondContact O-CG 3.3Å; L510-L514 PolarHBondContact O-N 3.47Å
511K55.8Low47.8Very low101 Ų101103.3 Ų103.344%0.43953%0.533SS..Hα-helixtrans-57.8-40.7172-94.7179.1158.9-164.80112.8A507 T508 A509 K515 E575A507-K511 PolarHBondContact O-N 3.01Å; T508-K511 WeakPolarHBondContact O-CB 3.22Å; T508-K511 PolarHBondContact O-N 3Å; A509-K511 PolarHBondContact O-N 2.83Å; K511-K515 WeakPolarHBondContact O-CG 3.42Å; K511-K515 PolarHBondContact O-N 3.34Å; K511-K515 VanDerWaalsContact O-N 3.16Å; K511-E575 IonicContact NZ-OE1 2.8Å; K511-E575 PolarHBondContact NZ-OE1 3.28Å
512A52.5Low47.1Very low24 Ų24107.6 Ų107.620%0.19856%0.556CS.*Hα-helixtrans-71.8-34-179.200000112.4T508 A509 L510T508-A512 WeakPolarHBondContact O-CB 3.5Å; T508-A512 PolarHBondContact O-N 2.67Å; A509-A512 CarbonylContact O-C 3.6Å; A509-A512 PolarHBondContact O-N 3.09Å; A509-A512 VanDerWaalsContact O-N 3.08Å; L510-A512 VanDerWaalsContact C-N 3.31Å; L510-A512 PolarHBondContact O-N 3.29Å
513M54.2Low46.6Very low133 Ų133115.2 Ų115.266%0.65558%0.578SS**Hα-helixtrans-66.9-49.6170.7-68.4175.675.800110.7A509 L510 K515 R516A509-M513 WeakPolarHBondContact O-CG 3.32Å; A509-M513 PolarHBondContact O-N 3.47Å; L510-M513 PolarHBondContact O-N 3.13Å; M513-K515 PolarHBondContact O-N 2.8Å; M513-K515 VanDerWaalsContact O-N 3.11Å; M513-R516 PolarHBondContact O-N 3.23Å
514L53.8Low45.4Very low131 Ų131117.4 Ų117.469%0.68660%0.596SS**Hα-helixtrans-61.9-19.7179-72.1166.9000114.4L510L510-L514 WeakPolarHBondContact O-CB 3.12Å; L510-L514 VanDerWaalsContact O-CG 3.26Å; L510-L514 WeakPolarHBondContact O-CG 3.3Å; L510-L514 PolarHBondContact O-N 3.47Å
515K50.4Low44.5Very low153 Ų153118.1 Ų118.167%0.66561%0.607SS**THydrogen-bonded Turntrans-83.7-13.1175-81.4177.9178.6174.80114.4K511 M513K511-K515 WeakPolarHBondContact O-CG 3.42Å; K511-K515 PolarHBondContact O-N 3.34Å; K511-K515 VanDerWaalsContact O-N 3.16Å; M513-K515 PolarHBondContact O-N 2.8Å; M513-K515 VanDerWaalsContact O-N 3.11Å
516R44.6Very low43.7Very low202 Ų202123 Ų12376%0.76264%0.635SS**THydrogen-bonded Turntrans-91.3-19.1-172.7-79.5-177.2166.5113.2-7.4115M513 K518M513-R516 PolarHBondContact O-N 3.23Å; R516-K518 PolarHBondContact O-N 3.35Å
517D39.8Very low42.9Very low143 Ų143127.3 Ų127.377%0.76565%0.65SS**  trans-92.5101.4-179.2-71.7-30.1000113.3
518K38.9Very low42Very low196 Ų196130.1 Ų130.185%0.85266%0.662SS**  trans-102.1113.5159.5-77.3-170.2177.7-177.10109.6R516R516-K518 PolarHBondContact O-N 3.35Å
519P37.2Very low41.2Very low118 Ų118136.4 Ų136.477%0.76670%0.695SS**PPolyproline II helixtrans-72139.6177.3-16.330.7000112.3
520I32.1Very low40.3Very low154 Ų154139.2 Ų139.279%0.7971%0.712SS**PPolyproline II helixtrans-81.7117.6168.5-64.3169.4000108
521E36.5Very low39.2Very low186 Ų186143.3 Ų143.387%0.86973%0.726SS**PPolyproline II helixtrans-82118.6173.2-70.1-164.2148.900111.2
522N29.7Very low38.1Very low154 Ų154144 Ų14482%0.82474%0.739SS**  trans-104.4122.8165.9-92.6-25.2000109.6
523R33.9Very low37.2Very low243 Ų243149.5 Ų149.592%0.91777%0.769SS**  trans-136.5122.4161.9-78.3-171.9173.3-177.4-0.6110.9
524T31.1Very low36.3Very low139 Ų139149.3 Ų149.385%0.85377%0.77SS**  trans-60.2154.9158.649.50000109.7
525S33.9Very low35.5Very low97 Ų97149.2 Ų149.268%0.67878%0.778SS**  cis-163.9156.233.546.50000112.3
526N30.9Very low34.7Very low142 Ų142149.8 Ų149.876%0.75978%0.78SS**  trans38.1120.8149.5-52.1-0.1000118.6
527D35.8Very low34.2Very low145 Ų145147.5 Ų147.578%0.77578%0.782SS**  -167.8142.170.3-94.6-35.4000115.1
528V34.3Very low34.1Very low112 Ų112146.2 Ų146.268%0.67978%0.781SS**  trans44111.1136.3-166.20000122.5
529N33.2Very low33.6Very low152 Ų152147.7 Ų147.781%0.81378%0.781SS**  trans80.3130.9141.8-73.7-13.4000125.2
530S32.8Very low33.6Very low95 Ų95149.1 Ų149.166%0.66479%0.787SS**  101.398.8129.7-175.90000120.9
531F32Very low33.5Very low190 Ų190147.4 Ų147.483%0.83378%0.784SS**  trans57.1147.4138.9-69.5-86.3000119
532T33.1Very low33.6Very low115 Ų115144 Ų14471%0.70678%0.781SS**  cis-163.2147.721-9.70000111.9
533V32.9Very low33.9Very low139 Ų139142.9 Ų142.984%0.84278%0.775SS**  trans76.7130.5143.3172.60000122.2
534L36.5Very low34.1Very low130 Ų130138.1 Ų138.168%0.68177%0.768SS**  trans-98.7-176.4173.8-68.9157.6000111.3
535P36.5Very low34.3Very low129 Ų129138.4 Ų138.484%0.83876%0.764SS**  -138.6158.189.319.52.7000116.7
536K32.8Very low34.5Very low164 Ų164140.6 Ų140.671%0.71377%0.774SS**  trans-89.3-163.6168.6-63.6171.2176172.50109.3
537I35Very low34.6Very low155 Ų155137.4 Ų137.480%0.79577%0.774SS**  cis-168.1-177.726.78.5171.5000107
538P37Very low34.5Very low116 Ų116136.1 Ų136.175%0.75377%0.774SS**  cis-130.6-149.9-0.529.7-4.2000113.6
539R27.9Very low34.6Very low227 Ų227138.4 Ų138.486%0.85778%0.782SS**  trans-135.5172.8163.4-81.2177.4169.7163.7-5.3107.8
540V37.1Very low34.3Very low148 Ų148136.6 Ų136.690%0.89778%0.78SS**  trans-119147.6157.8177.70000109.4
541T31.4Very low34.3Very low117 Ų117139 Ų13972%0.71879%0.79SS**  trans-140150.1-16847.30000111.8
542S37.7Very low34.2Very low116 Ų116135 Ų13581%0.81179%0.786SS**  trans169.5147.7157.6171.80000109.9
543D37.2Very low34.1Very low130 Ų130135.6 Ų135.670%0.69580%0.795SS**  cis-168.8167.3-43.2-113-25.1000110.3
544N38.3Very low34.1Very low142 Ų142132.8 Ų132.876%0.75979%0.794SS**  trans79.291.8157.2-61.8-30.5000123.3
545N34Very low33.8Very low146 Ų146134.9 Ų134.978%0.78181%0.805SS**  19.9129.6118.5-79.3-23000121.6
546T37.6Very low33.5Very low143 Ų143136.1 Ų136.188%0.87781%0.805SS**  172.2142.796.230.50000114.5
547G32.8Very low33.4Very low75 Ų75135.6 Ų135.677%0.77381%0.81SS**  trans84115.5143.500000120.5
548P35.4Very low33.2Very low117 Ų117140.4 Ų140.476%0.7682%0.818SS**  trans-101140.1172.136.1-29.8000113.6
549N34.6Very low33.1Very low160 Ų160139.4 Ų139.486%0.85681%0.814SS**  trans-174.8118.6134-100.6-27.1000114.7
550C27.7Very low33.8Very low115 Ų115130 Ų13078%0.77779%0.787SS**  trans25.4114.1139.5-158.50000121
551V32.9Very low34.4Very low145 Ų145127.2 Ų127.288%0.87977%0.774SS**  -151.8149.1116.5-111.20000113.1
552S30.1Very low35.3Very low106 Ų106127.9 Ų127.974%0.74177%0.769SS**  trans-69.9139.2-174.951.90000116.3
553S31.1Very low36Very low128 Ų128130 Ų13090%0.89576%0.759SS**  178.8135126.940.20000110.4
554G32.6Very low36.9Very low80 Ų80128.5 Ų128.583%0.82575%0.751SS**  trans146.512.1-179.600000118N556G554-N556 PolarHBondContact O-N 3.04Å
555L29.9Very low38.2Very low173 Ų173125.6 Ų125.691%0.90674%0.736SS**  trans-8094170.2-79.5166.9000110.3
556N29.8Very low39.9Very low155 Ų155122.7 Ų122.783%0.82972%0.718SS**  trans-158.4146.6155.7-98.2-30.7000109.7G554G554-N556 PolarHBondContact O-N 3.04Å
557N30.6Very low41.5Very low154 Ų154116.7 Ų116.782%0.82468%0.68SS**  trans75.864-175.1-59.8-11.4000117.4
558R31Very low43.3Very low256 Ų256119.3 Ų119.397%0.96667%0.672SS**  trans-121.385.9148.8-85-172.7171.2-175.4-3.6110.3
559S35.2Very low45Very low95 Ų95118.7 Ų118.766%0.66466%0.66SS**  trans-131.935.1173.466.20000111.3
560G42.7Very low46.7Very low29 Ų29114.1 Ų114.130%0.29964%0.635SS.*  trans-119.5-31-169.200000116.5H562 R563G560-H562 PolarHBondContact O-N 3.13Å; G560-R563 WeakPolarHBondContact O-CB 3.37Å; G560-R563 WeakPolarHBondContact O-CG 3.27Å; G560-R563 PolarHBondContact O-N 3Å; G560-R563 VanDerWaalsContact O-N 3.13Å
561S49.9Very low49Very low89 Ų89110.2 Ų110.262%0.62261%0.606SS**Hα-helixtrans-56.9-49.4-159.958.30000115.3R563 D564 D565S561-R563 PolarHBondContact O-N 2.8Å; S561-D564 PolarHBondContact O-N 2.82Å; S561-D564 VanDerWaalsContact O-N 3.09Å; S561-D565 PolarHBondContact O-N 3.44Å; S561-D565 VanDerWaalsContact O-OD2 3.12Å
562H49.7Very low50.8Low132 Ų132106.4 Ų106.461%0.61159%0.59SS**Hα-helixtrans-61.8-11-175.8-156.3-57.5000114.4G560 D565 E566G560-H562 PolarHBondContact O-N 3.13Å; H562-D565 WeakPolarHBondContact CA-OD2 3.3Å; H562-E566 IonicContact CE1-OE1 3.77Å; H562-E566 IonicContact ND1-OE1 3.43Å
563R51.9Low52.8Low159 Ų159102.7 Ų102.760%0.657%0.565SS**Hα-helixtrans-79.8-42.8177.6-58.4176.3-174.5-1792111.6G560 S561G560-R563 WeakPolarHBondContact O-CB 3.37Å; G560-R563 WeakPolarHBondContact O-CG 3.27Å; G560-R563 PolarHBondContact O-N 3Å; G560-R563 VanDerWaalsContact O-N 3.13Å; S561-R563 PolarHBondContact O-N 2.8Å
564D57.3Low55.1Low99 Ų9998.7 Ų98.753%0.52953%0.534SS..Hα-helixtrans-76.6-37.8-175.4-53.9-38.5000109S561 E566 D567 E568S561-D564 PolarHBondContact O-N 2.82Å; S561-D564 VanDerWaalsContact O-N 3.09Å; D564-E566 PolarHBondContact O-N 2.67Å; D564-D567 PolarHBondContact O-N 2.77Å; D564-D567 VanDerWaalsContact O-N 3.11Å; D564-E568 WeakPolarHBondContact O-CB 3.38Å; D564-E568 WeakPolarHBondContact O-CG 3.43Å; D564-E568 PolarHBondContact O-N 2.66Å
565D65.1Low57.5Low82 Ų8298.3 Ų98.344%0.43951%0.511SS..Hα-helixtrans-52.9-44.8177.4-61.2-38000113.6S561 H562 M569S561-D565 PolarHBondContact O-N 3.44Å; S561-D565 VanDerWaalsContact O-OD2 3.12Å; H562-D565 WeakPolarHBondContact CA-OD2 3.3Å; D565-M569 WeakPolarHBondContact O-CB 3.3Å; D565-M569 WeakPolarHBondContact O-CG 3.05Å; D565-M569 PolarHBondContact O-N 3.28Å
566E69Low60.1Low85 Ų8590.1 Ų90.140%0.39747%0.468SS..Hα-helixtrans-71-28.9179.3-76.2178.2-161.900114R414 R418 H562 D564R414-E566 PolarHBondContact NH2-O 2.59Å; R418-E566 IonicContact CZ-OE2 3.33Å; R418-E566 IonicContact NE-OE2 3.65Å; R418-E566 PolarHBondContact NE-OE2 3.21Å; R418-E566 IonicContact NH2-OE2 2.72Å; R418-E566 PolarHBondContact NH2-OE2 3.39Å; H562-E566 IonicContact CE1-OE1 3.77Å; H562-E566 IonicContact ND1-OE1 3.43Å; D564-E566 PolarHBondContact O-N 2.67Å
567D71.7Confident62.8Low16 Ų1686.4 Ų86.49%0.08644%0.442CS..Hα-helixtrans-82.2-40.2177.2-80.7-82.2000110.4L411 R414 R418 D564 M570 D571L411-D567 HydrophobicContact CD2-CB 4.33Å; L411-D567 WeakPolarHBondContact CD2-OD1 3.35Å; R414-D567 WeakPolarHBondContact CD-OD1 3.16Å; R414-D567 IonicContact CZ-OD1 2.79Å; R414-D567 IonicContact CZ-OD2 2.75Å; R414-D567 IonicContact NE-OD1 2.75Å; R414-D567 PolarHBondContact NE-OD1 2.91Å; R414-D567 IonicContact NH1-OD1 3.36Å; R414-D567 PolarHBondContact NH1-OD1 2.87Å; R414-D567 IonicContact NH2-OD1 3.44Å; R414-D567 IonicContact NH2-OD2 3.89Å; R418-D567 IonicContact CZ-OD2 2.65Å; R418-D567 VanDerWaalsContact CZ-OD2 3.24Å; R418-D567 IonicContact NH1-OD2 3.98Å; R418-D567 PolarHBondContact NH1-OD2 3.47Å; R418-D567 IonicContact NH2-OD2 3.48Å; R418-D567 PolarHBondContact NH2-OD2 3.12Å; D564-D567 PolarHBondContact O-N 2.77Å; D564-D567 VanDerWaalsContact O-N 3.11Å; D567-M570 PolarHBondContact O-N 3.17Å; D567-D571 WeakPolarHBondContact O-CB 3.43Å; D567-D571 VanDerWaalsContact O-CG 3.31Å; D567-D571 PolarHBondContact O-N 2.78Å
568E71.8Confident65.5Low131 Ų13180.4 Ų80.461%0.61241%0.409SS*.Hα-helixtrans-64.5-38.2173.5-72.9-172-16900112.8D564 D571 A572D564-E568 WeakPolarHBondContact O-CB 3.38Å; D564-E568 WeakPolarHBondContact O-CG 3.43Å; D564-E568 PolarHBondContact O-N 2.66Å; E568-D571 PolarHBondContact O-N 3.12Å; E568-A572 VanDerWaalsContact O-CB 3.31Å; E568-A572 WeakPolarHBondContact O-CB 3.23Å; E568-A572 PolarHBondContact O-N 2.73Å
569M70.7Confident68.2Low103 Ų10370.7 Ų70.751%0.50737%0.372SS..Hα-helixtrans-63.2-43175.7-83.9-172.959.700112.7D565 D571 A572 A573D565-M569 WeakPolarHBondContact O-CB 3.3Å; D565-M569 WeakPolarHBondContact O-CG 3.05Å; D565-M569 PolarHBondContact O-N 3.28Å; M569-D571 VanDerWaalsContact C-N 3.35Å; M569-A572 PolarHBondContact O-N 3.42Å; M569-A573 PolarHBondContact O-N 3.34Å
570M70Confident70.8Confident65 Ų6569.6 Ų69.632%0.3236%0.357SS..Hα-helixtrans-67.2-36.8175.6-73.5-173.566.500111.8R414 E505 D567 A573 D574R414-M570 PolarHBondContact NH1-SD 2.65Å; R414-M570 PolarHBondContact NH2-SD 3.27Å; E505-M570 WeakPolarHBondContact OE1-CG 3.39Å; D567-M570 PolarHBondContact O-N 3.17Å; M570-A573 WeakPolarHBondContact O-CB 3.29Å; M570-A573 PolarHBondContact O-N 3.16Å; M570-A573 VanDerWaalsContact O-N 3.11Å; M570-D574 PolarHBondContact O-N 3.46Å
571D74.9Confident73Confident32 Ų3274.2 Ų74.217%0.17137%0.374CS..Hα-helixtrans-71.8-34.1178.4-74.27.5000112.6R407 D567 E568 M569 A573 D574 R577 W579R407-D571 VanDerWaalsContact CZ-CG 3.41Å; R407-D571 IonicContact CZ-OD1 3.42Å; R407-D571 IonicContact CZ-OD2 2.95Å; R407-D571 IonicContact NE-OD1 3.58Å; R407-D571 IonicContact NE-OD2 2.84Å; R407-D571 IonicContact NH1-OD1 2.91Å; R407-D571 PolarHBondContact NH1-OD1 2.9Å; R407-D571 IonicContact NH1-OD2 3.78Å; R407-D571 IonicContact NH2-OD1 3.43Å; R407-D571 PolarHBondContact NH2-OD1 2.98Å; R407-D571 IonicContact NH2-OD2 2.69Å; R407-D571 PolarHBondContact NH2-OD2 2.83Å; D567-D571 WeakPolarHBondContact O-CB 3.43Å; D567-D571 VanDerWaalsContact O-CG 3.31Å; D567-D571 PolarHBondContact O-N 2.78Å; E568-D571 PolarHBondContact O-N 3.12Å; M569-D571 VanDerWaalsContact C-N 3.35Å; D571-A573 PolarHBondContact O-N 3.25Å; D571-D574 PolarHBondContact O-N 3.29Å; D571-R577 WeakPolarHBondContact O-CD 3.31Å; D571-W579 HydrophobicContact CB-CZ2 3.88Å; D571-W579 VanDerWaalsContact CG-CZ2 3.49Å
572A71.5Confident74.8Confident65 Ų6571.9 Ų71.954%0.53736%0.364SS..Hα-helixtrans-67.8-18.3169.900000112.8E568 M569E568-A572 VanDerWaalsContact O-CB 3.31Å; E568-A572 WeakPolarHBondContact O-CB 3.23Å; E568-A572 PolarHBondContact O-N 2.73Å; M569-A572 PolarHBondContact O-N 3.42Å
573A73Confident76.7Confident28 Ų2866.4 Ų66.423%0.23134%0.339CS..Hα-helixtrans-87.4-25.8176.600000113.8T508 M569 M570 D571 E575T508-A573 VanDerWaalsContact CG2-CA 3.49Å; T508-A573 HydrophobicContact CG2-CB 3.77Å; T508-A573 WeakPolarHBondContact CG2-O 3.42Å; M569-A573 PolarHBondContact O-N 3.34Å; M570-A573 WeakPolarHBondContact O-CB 3.29Å; M570-A573 PolarHBondContact O-N 3.16Å; M570-A573 VanDerWaalsContact O-N 3.11Å; D571-A573 PolarHBondContact O-N 3.25Å; A573-E575 PolarHBondContact O-N 3.18Å
574D79.4Confident78.5Confident44 Ų4463.3 Ų63.324%0.23533%0.327CS..  trans-72.3114.7167.5-174.5-0.3000109.8M570 D571 V576 R577 W579M570-D574 PolarHBondContact O-N 3.46Å; D571-D574 PolarHBondContact O-N 3.29Å; D574-V576 VanDerWaalsContact C-N 3.28Å; D574-V576 PolarHBondContact O-N 3.48Å; D574-V576 WeakPolarHBondContact OD1-CA 3.17Å; D574-V576 WeakPolarHBondContact OD1-CB 3.42Å; D574-V576 PolarHBondContact OD1-N 3.21Å; D574-R577 HydrophobicContact CB-CG 4.2Å; D574-R577 VanDerWaalsContact CG-N 3.29Å; D574-R577 VanDerWaalsContact O-CG 3.25Å; D574-R577 WeakPolarHBondContact O-CG 3.44Å; D574-R577 PolarHBondContact OD1-N 3.11Å; D574-R577 WeakPolarHBondContact OD2-CA 3.41Å; D574-R577 PolarHBondContact OD2-N 3.18Å; D574-R577 VanDerWaalsContact OD2-N 3.14Å; D574-W579 HydrophobicContact CB-CH2 3.94Å; D574-W579 WeakPolarHBondContact OD2-CH2 3.39Å; D574-W579 WeakPolarHBondContact OD2-CZ3 3.22Å
575E81.5Confident80Confident72 Ų7261.6 Ų61.634%0.33632%0.323SS..SBendtrans-72.6-22.4176-66.9-175.4170.800112.3K511 A573 S590K511-E575 IonicContact NZ-OE1 2.8Å; K511-E575 PolarHBondContact NZ-OE1 3.28Å; A573-E575 PolarHBondContact O-N 3.18Å; E575-S590 PolarHBondContact OE2-OG 3.36Å
576V85.6Confident81.2Confident2 Ų260 Ų601%0.01231%0.311CS..SBendtrans-92.1-43.6-174.2-177.40000112.3D574 F578 R586 Y587D574-V576 VanDerWaalsContact C-N 3.28Å; D574-V576 PolarHBondContact O-N 3.48Å; D574-V576 WeakPolarHBondContact OD1-CA 3.17Å; D574-V576 WeakPolarHBondContact OD1-CB 3.42Å; D574-V576 PolarHBondContact OD1-N 3.21Å; V576-F578 HydrophobicContact CB-CE2 4.31Å; V576-F578 HydrophobicContact CG1-CD1 3.97Å; V576-F578 HydrophobicContact CG1-CD2 4.06Å; V576-F578 HydrophobicContact CG1-CE1 3.72Å; V576-F578 HydrophobicContact CG1-CE2 3.84Å; V576-F578 HydrophobicContact CG1-CG 4.13Å; V576-F578 HydrophobicContact CG1-CZ 3.68Å; V576-R586 PolarHBondContact O-NE 2.95Å; V576-R586 PolarHBondContact O-NH2 3.01Å; V576-R586 VanDerWaalsContact O-NH2 3.09Å; V576-Y587 HydrophobicContact CG1-CD2 4.27Å; V576-Y587 HydrophobicContact CG2-CD2 4.48Å
577R85.8Confident82.3Confident76 Ų7656 Ų5629%0.28729%0.292SS..  trans48.671.9179.6-63.4178.2-72.4142.86111.9D571 D574 W579 E580 R586D571-R577 WeakPolarHBondContact O-CD 3.31Å; D574-R577 HydrophobicContact CB-CG 4.2Å; D574-R577 VanDerWaalsContact CG-N 3.29Å; D574-R577 VanDerWaalsContact O-CG 3.25Å; D574-R577 WeakPolarHBondContact O-CG 3.44Å; D574-R577 PolarHBondContact OD1-N 3.11Å; D574-R577 WeakPolarHBondContact OD2-CA 3.41Å; D574-R577 PolarHBondContact OD2-N 3.18Å; D574-R577 VanDerWaalsContact OD2-N 3.14Å; R577-W579 HydrophobicContact CB-CH2 4.42Å; R577-W579 HydrophobicContact CB-CZ2 4.01Å; R577-W579 HydrophobicContact CG-CH2 4.21Å; R577-W579 HydrophobicContact CG-CZ2 3.77Å; R577-W579 PolarHBondContact O-N 3.31Å; R577-W579 VanDerWaalsContact O-N 3.14Å; R577-E580 HydrophobicContact CB-CB 4.36Å; R577-E580 HydrophobicContact CB-CG 4.45Å; R577-E580 WeakPolarHBondContact CD-OE1 3.29Å; R577-E580 IonicContact CZ-OE1 3.21Å; R577-E580 IonicContact CZ-OE2 3.54Å; R577-E580 VanDerWaalsContact CZ-OE2 3.27Å; R577-E580 IonicContact NE-OE1 2.73Å; R577-E580 IonicContact NE-OE2 3.89Å; R577-E580 IonicContact NH1-OE1 2.97Å; R577-E580 PolarHBondContact NH1-OE1 2.91Å; R577-E580 IonicContact NH1-OE2 2.77Å; R577-E580 PolarHBondContact NH1-OE2 3.42Å; R577-E580 IonicContact NH2-OE2 3.21Å; R577-E580 PolarHBondContact O-N 3.08Å; R577-E580 VanDerWaalsContact O-N 3.09Å; R577-R586 PolarHBondContact O-NH2 3.27Å
578F87.9Confident83.2Confident28 Ų2855.4 Ų55.412%0.12329%0.288CS..THydrogen-bonded Turntrans-59.8-22.4-175.2-77.2-71.2000114.7P350 F403 V576 W583 Y587 F639P350-F578 HydrophobicContact CB-CE1 4.48Å; P350-F578 HydrophobicContact CB-CZ 4.37Å; F403-F578 HydrophobicContact CB-CB 3.89Å; F403-F578 WeakPolarHBondContact CB-O 3.38Å; F403-F578 HydrophobicContact CD1-CB 4.1Å; F403-F578 HydrophobicContact CD1-CD1 4.2Å; F403-F578 HydrophobicContact CD1-CG 4.26Å; F403-F578 HydrophobicContact CD2-CB 4.3Å; F403-F578 HydrophobicContact CD2-CD1 4.08Å; F403-F578 HydrophobicContact CE1-CD1 4.1Å; F403-F578 HydrophobicContact CE1-CE1 4.46Å; F403-F578 AromaticContact CE2-CD1 3.97Å; F403-F578 HydrophobicContact CE2-CD1 3.97Å; F403-F578 HydrophobicContact CG-CB 3.84Å; F403-F578 HydrophobicContact CG-CD1 4.22Å; F403-F578 HydrophobicContact CG-CG 4.35Å; F403-F578 AromaticContact CZ-CD1 4Å; F403-F578 HydrophobicContact CZ-CD1 4Å; F403-F578 HydrophobicContact CZ-CE1 4.24Å; V576-F578 HydrophobicContact CB-CE2 4.31Å; V576-F578 HydrophobicContact CG1-CD1 3.97Å; V576-F578 HydrophobicContact CG1-CD2 4.06Å; V576-F578 HydrophobicContact CG1-CE1 3.72Å; V576-F578 HydrophobicContact CG1-CE2 3.84Å; V576-F578 HydrophobicContact CG1-CG 4.13Å; V576-F578 HydrophobicContact CG1-CZ 3.68Å; F578-W583 HydrophobicContact CD1-CB 4.33Å; F578-W583 HydrophobicContact CD1-CE3 4.29Å; F578-W583 HydrophobicContact CE1-CE3 4.47Å; F578-Y587 HydrophobicContact CE1-CD2 4.09Å; F578-Y587 AromaticContact CZ-CD2 3.68Å; F578-Y587 HydrophobicContact CZ-CD2 3.68Å; F578-Y587 HydrophobicContact CZ-CE2 4.01Å; F578-F639 AromaticContact CE1-CE1 3.72Å; F578-F639 HydrophobicContact CE1-CE1 3.72Å; F578-F639 AromaticContact CE1-CZ 3.81Å; F578-F639 HydrophobicContact CE1-CZ 3.81Å
579W86.6Confident84.1Confident53 Ų5354.2 Ų54.220%0.20128%0.283CS..THydrogen-bonded Turntrans-81.4-11.9178.253.292.8000114.2K404 R407 D571 D574 R577K404-W579 VanDerWaalsContact CE-O 3.26Å; K404-W579 WeakPolarHBondContact CE-O 3.42Å; K404-W579 HydrophobicContact CG-CB 4.47Å; R407-W579 HydrophobicContact CB-CB 3.91Å; R407-W579 HydrophobicContact CB-CD2 4.19Å; R407-W579 HydrophobicContact CB-CE3 4.05Å; R407-W579 HydrophobicContact CB-CG 4.16Å; R407-W579 HydrophobicContact CG-CB 4.01Å; R407-W579 HydrophobicContact CG-CD2 3.78Å; R407-W579 HydrophobicContact CG-CE3 3.99Å; R407-W579 HydrophobicContact CG-CG 3.79Å; D571-W579 HydrophobicContact CB-CZ2 3.88Å; D571-W579 VanDerWaalsContact CG-CZ2 3.49Å; D574-W579 HydrophobicContact CB-CH2 3.94Å; D574-W579 WeakPolarHBondContact OD2-CH2 3.39Å; D574-W579 WeakPolarHBondContact OD2-CZ3 3.22Å; R577-W579 HydrophobicContact CB-CH2 4.42Å; R577-W579 HydrophobicContact CB-CZ2 4.01Å; R577-W579 HydrophobicContact CG-CH2 4.21Å; R577-W579 HydrophobicContact CG-CZ2 3.77Å; R577-W579 PolarHBondContact O-N 3.31Å; R577-W579 VanDerWaalsContact O-N 3.14Å
580E89.8Confident85Confident72 Ų7251.4 Ų51.434%0.33627%0.273SS..SBendtrans-102.8141.9178.3-75.4-178.4-147.700112.3R577 W583 R586R577-E580 HydrophobicContact CB-CB 4.36Å; R577-E580 HydrophobicContact CB-CG 4.45Å; R577-E580 WeakPolarHBondContact CD-OE1 3.29Å; R577-E580 IonicContact CZ-OE1 3.21Å; R577-E580 IonicContact CZ-OE2 3.54Å; R577-E580 VanDerWaalsContact CZ-OE2 3.27Å; R577-E580 IonicContact NE-OE1 2.73Å; R577-E580 IonicContact NE-OE2 3.89Å; R577-E580 IonicContact NH1-OE1 2.97Å; R577-E580 PolarHBondContact NH1-OE1 2.91Å; R577-E580 IonicContact NH1-OE2 2.77Å; R577-E580 PolarHBondContact NH1-OE2 3.42Å; R577-E580 IonicContact NH2-OE2 3.21Å; R577-E580 PolarHBondContact O-N 3.08Å; R577-E580 VanDerWaalsContact O-N 3.09Å; E580-W583 VanDerWaalsContact O-CD1 3.29Å; E580-W583 PolarHBondContact O-N 2.62Å; E580-R586 PolarHBondContact O-NH2 3.31Å
581D88.9Confident86Confident125 Ų12549.8 Ų49.867%0.66826%0.264SS*.THydrogen-bonded Turntrans-52.9144.9175.7-58.1-16.1000112.1K404 R586K404-D581 IonicContact NZ-OD1 2.65Å; K404-D581 PolarHBondContact NZ-OD1 3.06Å; D581-R586 PolarHBondContact O-NH1 2.81Å; D581-R586 PolarHBondContact O-NH2 3.2Å
582G88.4Confident86.8Confident40 Ų4050 Ų5041%0.41226%0.264SS..THydrogen-bonded Turntrans81.38.8-174.600000115.3R584 S585 R586G582-R584 PolarHBondContact O-N 3.37Å; G582-S585 PolarHBondContact O-N 3.35Å; G582-R586 PolarHBondContact O-N 3.32Å
583W90.6Very high87.6Confident18 Ų1849.1 Ų49.17%0.06826%0.261CS..Hα-helixtrans-51.9-37.1175.554.1-101.6000113.1E399 D400 F403 F578 E580 S585 R586 Y587 F639E399-W583 HydrophobicContact CB-CH2 4.33Å; E399-W583 HydrophobicContact CB-CZ2 4.42Å; D400-W583 PolarHBondContact OD1-NE1 2.83Å; F403-W583 HydrophobicContact CD2-CD2 4.24Å; F403-W583 HydrophobicContact CD2-CZ2 4.28Å; F403-W583 HydrophobicContact CE2-CD2 4.14Å; F403-W583 AromaticContact CE2-CE3 3.98Å; F403-W583 HydrophobicContact CE2-CE3 3.98Å; F403-W583 AromaticContact CE2-CH2 3.88Å; F403-W583 HydrophobicContact CE2-CH2 3.88Å; F403-W583 AromaticContact CE2-CZ2 3.98Å; F403-W583 HydrophobicContact CE2-CZ2 3.98Å; F403-W583 AromaticContact CE2-CZ3 3.87Å; F403-W583 HydrophobicContact CE2-CZ3 3.87Å; F578-W583 HydrophobicContact CD1-CB 4.33Å; F578-W583 HydrophobicContact CD1-CE3 4.29Å; F578-W583 HydrophobicContact CE1-CE3 4.47Å; E580-W583 VanDerWaalsContact O-CD1 3.29Å; E580-W583 PolarHBondContact O-N 2.62Å; W583-S585 PolarHBondContact O-N 2.86Å; W583-R586 VanDerWaalsContact CA-NH2 3.34Å; W583-R586 PolarHBondContact O-N 3.35Å; W583-Y587 WeakPolarHBondContact O-CB 3.25Å; W583-Y587 PolarHBondContact O-N 2.82Å; W583-F639 HydrophobicContact CE3-CD1 4.45Å; W583-F639 AromaticContact CE3-CE1 3.89Å; W583-F639 HydrophobicContact CE3-CE1 3.89Å; W583-F639 HydrophobicContact CE3-CE2 4.06Å; W583-F639 AromaticContact CE3-CZ 3.67Å; W583-F639 HydrophobicContact CE3-CZ 3.67Å; W583-F639 HydrophobicContact CH2-CD1 4.22Å; W583-F639 HydrophobicContact CH2-CE1 4.45Å; W583-F639 HydrophobicContact CH2-CG 4.27Å; W583-F639 AromaticContact CZ3-CD1 3.58Å; W583-F639 HydrophobicContact CZ3-CD1 3.58Å; W583-F639 AromaticContact CZ3-CD2 3.73Å; W583-F639 HydrophobicContact CZ3-CD2 3.73Å; W583-F639 AromaticContact CZ3-CE1 3.45Å; W583-F639 HydrophobicContact CZ3-CE1 3.45Å; W583-F639 VanDerWaalsContact CZ3-CE1 3.45Å; W583-F639 AromaticContact CZ3-CE2 3.6Å; W583-F639 HydrophobicContact CZ3-CE2 3.6Å; W583-F639 AromaticContact CZ3-CG 3.71Å; W583-F639 HydrophobicContact CZ3-CG 3.71Å; W583-F639 AromaticContact CZ3-CZ 3.46Å; W583-F639 HydrophobicContact CZ3-CZ 3.46Å; W583-F639 VanDerWaalsContact CZ3-CZ 3.46Å
584R89.4Confident88.3Confident93 Ų9348.7 Ų48.735%0.35126%0.256SS..Hα-helixtrans-59.6-48.4-179.3-169.4171.8179.1174.1-3111.8G582 Y587 Y588 F639 S641 D642G582-R584 PolarHBondContact O-N 3.37Å; R584-Y587 PolarHBondContact O-N 3.42Å; R584-Y588 HydrophobicContact CG-CD2 4.23Å; R584-Y588 HydrophobicContact CG-CE2 4.3Å; R584-Y588 WeakPolarHBondContact O-CD2 3.49Å; R584-Y588 PolarHBondContact O-N 3Å; R584-Y588 VanDerWaalsContact O-N 3.1Å; R584-F639 HydrophobicContact CG-CD2 4.13Å; R584-F639 HydrophobicContact CG-CE2 4.14Å; R584-S641 PolarHBondContact NH1-OG 2.87Å; R584-S641 PolarHBondContact NH2-O 3.32Å; R584-D642 IonicContact CZ-OD1 2.67Å; R584-D642 VanDerWaalsContact CZ-OD1 3.26Å; R584-D642 IonicContact NE-OD1 3.78Å; R584-D642 PolarHBondContact NE-OD1 3.44Å; R584-D642 IonicContact NH2-OD1 3.81Å; R584-D642 PolarHBondContact NH2-OD1 2.81Å
585S88.3Confident88.5Confident64 Ų6450.6 Ų50.645%0.44827%0.266SS..Hα-helixtrans-64.9-41.7177.4-550000111.8G582 W583 Q589G582-S585 PolarHBondContact O-N 3.35Å; W583-S585 PolarHBondContact O-N 2.86Å; S585-Q589 VanDerWaalsContact O-CB 3.28Å; S585-Q589 WeakPolarHBondContact O-CB 3.46Å; S585-Q589 PolarHBondContact O-N 3.13Å
586R90.4Very high88.3Confident48 Ų4850.1 Ų50.118%0.18127%0.269CS..Hα-helixtrans-64.6-39.4177.1-65.4-170.4-63.5-87.3-1.5112.3V576 R577 E580 D581 G582 W583 S590V576-R586 PolarHBondContact O-NE 2.95Å; V576-R586 PolarHBondContact O-NH2 3.01Å; V576-R586 VanDerWaalsContact O-NH2 3.09Å; R577-R586 PolarHBondContact O-NH2 3.27Å; E580-R586 PolarHBondContact O-NH2 3.31Å; D581-R586 PolarHBondContact O-NH1 2.81Å; D581-R586 PolarHBondContact O-NH2 3.2Å; G582-R586 PolarHBondContact O-N 3.32Å; W583-R586 VanDerWaalsContact CA-NH2 3.34Å; W583-R586 PolarHBondContact O-N 3.35Å; R586-S590 WeakPolarHBondContact O-CB 3.44Å; R586-S590 PolarHBondContact O-N 3.02Å
587Y91.9Very high88.1Confident2 Ų255.3 Ų55.31%0.00830%0.301CS..Hα-helixtrans-62.1-53.6175.9178.9-101.3000111.8P350 V576 F578 W583 R584 Q589 S590 K591 F592 A637 F639P350-Y587 HydrophobicContact CG-CE2 4.28Å; P350-Y587 WeakPolarHBondContact CG-OH 3.36Å; V576-Y587 HydrophobicContact CG1-CD2 4.27Å; V576-Y587 HydrophobicContact CG2-CD2 4.48Å; F578-Y587 HydrophobicContact CE1-CD2 4.09Å; F578-Y587 AromaticContact CZ-CD2 3.68Å; F578-Y587 HydrophobicContact CZ-CD2 3.68Å; F578-Y587 HydrophobicContact CZ-CE2 4.01Å; W583-Y587 WeakPolarHBondContact O-CB 3.25Å; W583-Y587 PolarHBondContact O-N 2.82Å; R584-Y587 PolarHBondContact O-N 3.42Å; Y587-Q589 VanDerWaalsContact C-N 3.32Å; Y587-Q589 PolarHBondContact O-N 3.37Å; Y587-S590 PolarHBondContact O-N 3.09Å; Y587-K591 HydrophobicContact CD2-CG 3.66Å; Y587-K591 HydrophobicContact CE2-CB 4.47Å; Y587-K591 HydrophobicContact CE2-CG 3.74Å; Y587-K591 HydrophobicContact CG-CG 4.23Å; Y587-K591 VanDerWaalsContact O-CB 3.27Å; Y587-K591 WeakPolarHBondContact O-CB 3.47Å; Y587-K591 WeakPolarHBondContact O-CG 3.48Å; Y587-K591 PolarHBondContact O-N 2.99Å; Y587-F592 HydrophobicContact CD1-CE2 4.24Å; Y587-F592 HydrophobicContact CE1-CD2 4.45Å; Y587-F592 AromaticContact CE1-CE2 3.65Å; Y587-F592 HydrophobicContact CE1-CE2 3.65Å; Y587-A637 WeakPolarHBondContact CE1-O 3.41Å; Y587-A637 PolarHBondContact OH-O 3.38Å; Y587-F639 HydrophobicContact CD1-CD2 4.31Å; Y587-F639 HydrophobicContact CD1-CE1 4.48Å; Y587-F639 AromaticContact CD1-CE2 3.21Å; Y587-F639 HydrophobicContact CD1-CE2 3.21Å; Y587-F639 AromaticContact CD1-CZ 3.31Å; Y587-F639 HydrophobicContact CD1-CZ 3.31Å; Y587-F639 AromaticContact CD2-CZ 3.94Å; Y587-F639 HydrophobicContact CD2-CZ 3.94Å; Y587-F639 HydrophobicContact CE1-CD2 4.45Å; Y587-F639 HydrophobicContact CE1-CE1 4.49Å; Y587-F639 AromaticContact CE1-CE2 3.65Å; Y587-F639 HydrophobicContact CE1-CE2 3.65Å; Y587-F639 AromaticContact CE1-CZ 3.66Å; Y587-F639 HydrophobicContact CE1-CZ 3.66Å; Y587-F639 HydrophobicContact CE2-CZ 4.28Å; Y587-F639 AromaticContact CG-CE2 3.75Å; Y587-F639 HydrophobicContact CG-CE2 3.75Å; Y587-F639 AromaticContact CG-CZ 3.42Å; Y587-F639 HydrophobicContact CG-CZ 3.42Å; Y587-F639 VanDerWaalsContact CG-CZ 3.42Å
588Y91.4Very high88.1Confident2 Ų256.9 Ų56.91%0.00832%0.315CS..Iπ-helixtrans-64.2-36.7-179.4-83.1-74.6000112.9R584 F592 G593 V594 F602 C603 P638 F639 D642R584-Y588 HydrophobicContact CG-CD2 4.23Å; R584-Y588 HydrophobicContact CG-CE2 4.3Å; R584-Y588 WeakPolarHBondContact O-CD2 3.49Å; R584-Y588 PolarHBondContact O-N 3Å; R584-Y588 VanDerWaalsContact O-N 3.1Å; Y588-F592 HydrophobicContact CD1-CB 4.4Å; Y588-F592 AromaticContact CD1-CD2 3.49Å; Y588-F592 HydrophobicContact CD1-CD2 3.49Å; Y588-F592 VanDerWaalsContact CD1-CD2 3.49Å; Y588-F592 AromaticContact CD1-CE2 3.82Å; Y588-F592 HydrophobicContact CD1-CE2 3.82Å; Y588-F592 AromaticContact CD1-CG 4Å; Y588-F592 HydrophobicContact CD1-CG 4Å; Y588-F592 AromaticContact CE1-CD2 3.83Å; Y588-F592 HydrophobicContact CE1-CD2 3.83Å; Y588-F592 AromaticContact CE1-CE2 3.67Å; Y588-F592 HydrophobicContact CE1-CE2 3.67Å; Y588-F592 HydrophobicContact CE1-CG 4.37Å; Y588-F592 HydrophobicContact CE1-CZ 4.06Å; Y588-F592 HydrophobicContact CG-CD2 4.38Å; Y588-F592 WeakPolarHBondContact O-CA 3.47Å; Y588-F592 WeakPolarHBondContact O-CB 3.2Å; Y588-F592 PolarHBondContact O-N 3.19Å; Y588-F592 VanDerWaalsContact O-N 3.09Å; Y588-G593 PolarHBondContact O-N 3.05Å; Y588-V594 PolarHBondContact O-N 3.44Å; Y588-F602 HydrophobicContact CD1-CD1 4.13Å; Y588-F602 HydrophobicContact CD1-CE1 4.2Å; Y588-F602 HydrophobicContact CE1-CD1 4.26Å; Y588-F602 HydrophobicContact CE1-CE1 4.29Å; Y588-C603 WeakPolarHBondContact CD2-SG 3.41Å; Y588-C603 HydrophobicContact CE2-CB 4.32Å; Y588-C603 WeakPolarHBondContact CE2-SG 3.14Å; Y588-P638 WeakPolarHBondContact OH-CA 3.41Å; Y588-P638 WeakPolarHBondContact OH-CB 3.5Å; Y588-F639 HydrophobicContact CD2-CE2 4.24Å; Y588-F639 AromaticContact CE2-CD2 3.77Å; Y588-F639 HydrophobicContact CE2-CD2 3.77Å; Y588-F639 AromaticContact CE2-CE2 3.78Å; Y588-F639 HydrophobicContact CE2-CE2 3.78Å; Y588-D642 PolarHBondContact OH-OD2 3.02Å
589Q90.7Very high87.7Confident106 Ų10656 Ų5650%0.49531%0.313SS..Iπ-helixtrans-67.6-45.4174.7-169.1177.136.600112.7S585 Y587 G593 V594S585-Q589 VanDerWaalsContact O-CB 3.28Å; S585-Q589 WeakPolarHBondContact O-CB 3.46Å; S585-Q589 PolarHBondContact O-N 3.13Å; Y587-Q589 VanDerWaalsContact C-N 3.32Å; Y587-Q589 PolarHBondContact O-N 3.37Å; Q589-G593 VanDerWaalsContact O-CA 3.31Å; Q589-G593 WeakPolarHBondContact O-CA 3.44Å; Q589-G593 PolarHBondContact O-N 3.22Å; Q589-V594 WeakPolarHBondContact CA-O 3.27Å
590S89Confident87.7Confident44 Ų4457.7 Ų57.731%0.30833%0.331SS..Iπ-helixtrans-75.9-40.5-177.3-178.10000113E575 R586 Y587E575-S590 PolarHBondContact OE2-OG 3.36Å; R586-S590 WeakPolarHBondContact O-CB 3.44Å; R586-S590 PolarHBondContact O-N 3.02Å; Y587-S590 PolarHBondContact O-N 3.09Å
591K90.8Very high87.7Confident31 Ų3156.7 Ų56.714%0.13534%0.34CS..Iπ-helixtrans-92.6-36-172.3-55.4-52.2-174.6-179.60114Y587 Y636 D705 N707Y587-K591 HydrophobicContact CD2-CG 3.66Å; Y587-K591 HydrophobicContact CE2-CB 4.47Å; Y587-K591 HydrophobicContact CE2-CG 3.74Å; Y587-K591 HydrophobicContact CG-CG 4.23Å; Y587-K591 VanDerWaalsContact O-CB 3.27Å; Y587-K591 WeakPolarHBondContact O-CB 3.47Å; Y587-K591 WeakPolarHBondContact O-CG 3.48Å; Y587-K591 PolarHBondContact O-N 2.99Å; K591-Y636 HydrophobicContact CB-CD1 4.31Å; K591-Y636 HydrophobicContact CB-CD2 3.77Å; K591-Y636 HydrophobicContact CB-CE1 4.37Å; K591-Y636 HydrophobicContact CB-CE2 3.86Å; K591-Y636 HydrophobicContact CB-CG 4Å; K591-Y636 HydrophobicContact CD-CD1 4.38Å; K591-Y636 HydrophobicContact CD-CE1 3.89Å; K591-Y636 HydrophobicContact CG-CD1 4.41Å; K591-Y636 HydrophobicContact CG-CE1 4.38Å; K591-Y636 WeakPolarHBondContact O-CD2 3.05Å; K591-Y636 WeakPolarHBondContact O-CE2 3.5Å; K591-D705 IonicContact NZ-OD1 3.26Å; K591-D705 PolarHBondContact NZ-OD1 3.43Å; K591-D705 IonicContact NZ-OD2 2.74Å; K591-D705 PolarHBondContact NZ-OD2 3.37Å; K591-N707 VanDerWaalsContact CE-OD1 3.23Å; K591-N707 WeakPolarHBondContact CE-OD1 3.2Å; K591-N707 PolarHBondContact NZ-OD1 3.34Å
592F91.8Very high87.9Confident37 Ų3753.1 Ų53.116%0.16232%0.318CS..Iπ-helixtrans-107-9.4-179.2-62.8-101.8000113.3Y587 Y588 V594 F602 V606 Y634 Y636Y587-F592 HydrophobicContact CD1-CE2 4.24Å; Y587-F592 HydrophobicContact CE1-CD2 4.45Å; Y587-F592 AromaticContact CE1-CE2 3.65Å; Y587-F592 HydrophobicContact CE1-CE2 3.65Å; Y588-F592 HydrophobicContact CD1-CB 4.4Å; Y588-F592 AromaticContact CD1-CD2 3.49Å; Y588-F592 HydrophobicContact CD1-CD2 3.49Å; Y588-F592 VanDerWaalsContact CD1-CD2 3.49Å; Y588-F592 AromaticContact CD1-CE2 3.82Å; Y588-F592 HydrophobicContact CD1-CE2 3.82Å; Y588-F592 AromaticContact CD1-CG 4Å; Y588-F592 HydrophobicContact CD1-CG 4Å; Y588-F592 AromaticContact CE1-CD2 3.83Å; Y588-F592 HydrophobicContact CE1-CD2 3.83Å; Y588-F592 AromaticContact CE1-CE2 3.67Å; Y588-F592 HydrophobicContact CE1-CE2 3.67Å; Y588-F592 HydrophobicContact CE1-CG 4.37Å; Y588-F592 HydrophobicContact CE1-CZ 4.06Å; Y588-F592 HydrophobicContact CG-CD2 4.38Å; Y588-F592 WeakPolarHBondContact O-CA 3.47Å; Y588-F592 WeakPolarHBondContact O-CB 3.2Å; Y588-F592 PolarHBondContact O-N 3.19Å; Y588-F592 VanDerWaalsContact O-N 3.09Å; F592-V594 VanDerWaalsContact C-N 3.25Å; F592-V594 HydrophobicContact CB-CG2 3.86Å; F592-V594 PolarHBondContact O-N 3.22Å; F592-F602 HydrophobicContact CB-CE1 3.82Å; F592-F602 HydrophobicContact CB-CZ 4.13Å; F592-F602 AromaticContact CD1-CE1 3.52Å; F592-F602 HydrophobicContact CD1-CE1 3.52Å; F592-F602 AromaticContact CD1-CZ 3.72Å; F592-F602 HydrophobicContact CD1-CZ 3.72Å; F592-F602 HydrophobicContact CE1-CE1 4.19Å; F592-F602 AromaticContact CG-CE1 3.79Å; F592-F602 HydrophobicContact CG-CE1 3.79Å; F592-F602 HydrophobicContact CG-CZ 4.26Å; F592-V606 HydrophobicContact CD1-CG2 4.49Å; F592-V606 HydrophobicContact CE1-CG1 4.03Å; F592-V606 HydrophobicContact CE1-CG2 4.05Å; F592-V606 HydrophobicContact CZ-CG1 4.17Å; F592-Y634 HydrophobicContact CD1-CD1 4.02Å; F592-Y634 HydrophobicContact CD1-CG 4.5Å; F592-Y634 AromaticContact CE1-CD1 3.99Å; F592-Y634 HydrophobicContact CE1-CD1 3.99Å; F592-Y634 HydrophobicContact CE1-CG 4.01Å; F592-Y636 WeakPolarHBondContact CZ-O 3.34Å
593G88.7Confident88.1Confident46 Ų4651.5 Ų51.547%0.47430%0.301SS..  trans70.319.6-178.500000114.1Y588 Q589Y588-G593 PolarHBondContact O-N 3.05Å; Q589-G593 VanDerWaalsContact O-CA 3.31Å; Q589-G593 WeakPolarHBondContact O-CA 3.44Å; Q589-G593 PolarHBondContact O-N 3.22Å
594V87.3Confident88.1Confident20 Ų2053.4 Ų53.412%0.12131%0.311CS..  trans-89.7136.3-173.2176.10000110.8Y588 Q589 F592 D598 A599 F602Y588-V594 PolarHBondContact O-N 3.44Å; Q589-V594 WeakPolarHBondContact CA-O 3.27Å; F592-V594 VanDerWaalsContact C-N 3.25Å; F592-V594 HydrophobicContact CB-CG2 3.86Å; F592-V594 PolarHBondContact O-N 3.22Å; V594-D598 HydrophobicContact CG1-CB 4.14Å; V594-A599 HydrophobicContact CG1-CB 4.29Å; V594-F602 HydrophobicContact CB-CD1 4.47Å; V594-F602 HydrophobicContact CG1-CB 4.14Å; V594-F602 HydrophobicContact CG1-CD1 4.39Å; V594-F602 HydrophobicContact CG1-CG 4.19Å; V594-F602 HydrophobicContact CG2-CD1 3.72Å; V594-F602 HydrophobicContact CG2-CD2 3.95Å; V594-F602 HydrophobicContact CG2-CE1 3.69Å; V594-F602 HydrophobicContact CG2-CE2 3.94Å; V594-F602 HydrophobicContact CG2-CG 3.84Å; V594-F602 HydrophobicContact CG2-CZ 3.81Å
595D83.3Confident88.4Confident84 Ų8454 Ų5445%0.44932%0.317SS..  trans-67.1139.1174.3-169.8-83.2000110.7T597 D598 A599D595-T597 PolarHBondContact O-N 2.8Å; D595-T597 WeakPolarHBondContact OD1-CB 3.17Å; D595-T597 WeakPolarHBondContact OD1-CG2 3.45Å; D595-T597 PolarHBondContact OD1-N 2.84Å; D595-T597 PolarHBondContact OD1-OG1 3.22Å; D595-D598 PolarHBondContact O-N 3.34Å; D595-A599 PolarHBondContact O-N 3.22Å
596P78.6Confident88.7Confident62 Ų6251 Ų5140%0.40330%0.295SS..THydrogen-bonded Turntrans-51.8-24.5177.1-29.936.9000115.7
597T81.5Confident88.9Confident111 Ų11148.7 Ų48.768%0.68129%0.287SS*.THydrogen-bonded Turntrans-71.3-41.3175.955.10000113.3D595D595-T597 PolarHBondContact O-N 2.8Å; D595-T597 WeakPolarHBondContact OD1-CB 3.17Å; D595-T597 WeakPolarHBondContact OD1-CG2 3.45Å; D595-T597 PolarHBondContact OD1-N 2.84Å; D595-T597 PolarHBondContact OD1-OG1 3.22Å
598D84.6Confident89.1Confident109 Ų10951 Ų5158%0.58330%0.298SS*.THydrogen-bonded Turntrans-83.7-18.3179.4-68.8-30.6000112.6V594 D595 P600 G601 F602V594-D598 HydrophobicContact CG1-CB 4.14Å; D595-D598 PolarHBondContact O-N 3.34Å; D598-P600 VanDerWaalsContact C-CD 3.47Å; D598-G601 PolarHBondContact O-N 2.74Å; D598-F602 PolarHBondContact O-N 3.18Å
599A80.6Confident89.3Confident10 Ų1053.6 Ų53.68%0.08331%0.31CS..Hα-helixtrans-48.2-48-174.100000114.2V594 D595 G601 F602 C603V594-A599 HydrophobicContact CG1-CB 4.29Å; D595-A599 PolarHBondContact O-N 3.22Å; A599-G601 PolarHBondContact O-N 3.46Å; A599-F602 PolarHBondContact O-N 3.19Å; A599-C603 WeakPolarHBondContact O-CB 3.28Å; A599-C603 PolarHBondContact O-N 2.82Å; A599-C603 PolarHBondContact O-SG 2.89Å
600P86.3Confident89.5Confident88 Ų8848.6 Ų48.657%0.57129%0.286SS*.Hα-helixtrans-59.4-42.6-174.6-24.735.2000114.2D598 I604D598-P600 VanDerWaalsContact C-CD 3.47Å; P600-I604 WeakPolarHBondContact O-CG1 3.17Å; P600-I604 PolarHBondContact O-N 3.41Å
601G89.4Confident89.9Confident51 Ų5146.5 Ų46.553%0.52627%0.272SS..Hα-helixtrans-72.9-39177.700000112.3D598 A599 K605D598-G601 PolarHBondContact O-N 2.74Å; A599-G601 PolarHBondContact O-N 3.46Å; G601-K605 PolarHBondContact O-N 2.77Å
602F92.4Very high90.2Very high49 Ų4946.7 Ų46.722%0.21527%0.274CS..Hα-helixtrans-63.8-43175.8-177.3-89.6000112.3Y588 F592 V594 D598 A599 I604 K605 V606 Y634Y588-F602 HydrophobicContact CD1-CD1 4.13Å; Y588-F602 HydrophobicContact CD1-CE1 4.2Å; Y588-F602 HydrophobicContact CE1-CD1 4.26Å; Y588-F602 HydrophobicContact CE1-CE1 4.29Å; F592-F602 HydrophobicContact CB-CE1 3.82Å; F592-F602 HydrophobicContact CB-CZ 4.13Å; F592-F602 AromaticContact CD1-CE1 3.52Å; F592-F602 HydrophobicContact CD1-CE1 3.52Å; F592-F602 AromaticContact CD1-CZ 3.72Å; F592-F602 HydrophobicContact CD1-CZ 3.72Å; F592-F602 HydrophobicContact CE1-CE1 4.19Å; F592-F602 AromaticContact CG-CE1 3.79Å; F592-F602 HydrophobicContact CG-CE1 3.79Å; F592-F602 HydrophobicContact CG-CZ 4.26Å; V594-F602 HydrophobicContact CB-CD1 4.47Å; V594-F602 HydrophobicContact CG1-CB 4.14Å; V594-F602 HydrophobicContact CG1-CD1 4.39Å; V594-F602 HydrophobicContact CG1-CG 4.19Å; V594-F602 HydrophobicContact CG2-CD1 3.72Å; V594-F602 HydrophobicContact CG2-CD2 3.95Å; V594-F602 HydrophobicContact CG2-CE1 3.69Å; V594-F602 HydrophobicContact CG2-CE2 3.94Å; V594-F602 HydrophobicContact CG2-CG 3.84Å; V594-F602 HydrophobicContact CG2-CZ 3.81Å; D598-F602 PolarHBondContact O-N 3.18Å; A599-F602 PolarHBondContact O-N 3.19Å; F602-I604 PolarHBondContact O-N 3.23Å; F602-K605 WeakPolarHBondContact O-CB 3.34Å; F602-K605 PolarHBondContact O-N 2.82Å; F602-K605 VanDerWaalsContact O-N 3.13Å; F602-V606 HydrophobicContact CD1-CG2 3.82Å; F602-V606 HydrophobicContact CE1-CG2 3.35Å; F602-V606 HydrophobicContact CE2-CG2 4.5Å; F602-V606 HydrophobicContact CZ-CG2 3.74Å; F602-V606 WeakPolarHBondContact O-CG2 3.27Å; F602-V606 PolarHBondContact O-N 2.96Å; F602-Y634 HydrophobicContact CE2-CE1 4.07Å; F602-Y634 HydrophobicContact CZ-CD1 4.24Å; F602-Y634 AromaticContact CZ-CE1 3.68Å; F602-Y634 HydrophobicContact CZ-CE1 3.68Å
603C92.7Very high90.4Very high7 Ų744.9 Ų44.95%0.04727%0.267CS..Hα-helixtrans-57.2-48.7178.8-69.80000111.8Y588 A599 K605 V606 G607 D642Y588-C603 WeakPolarHBondContact CD2-SG 3.41Å; Y588-C603 HydrophobicContact CE2-CB 4.32Å; Y588-C603 WeakPolarHBondContact CE2-SG 3.14Å; A599-C603 WeakPolarHBondContact O-CB 3.28Å; A599-C603 PolarHBondContact O-N 2.82Å; A599-C603 PolarHBondContact O-SG 2.89Å; C603-K605 VanDerWaalsContact C-N 3.31Å; C603-K605 PolarHBondContact O-N 2.89Å; C603-V606 PolarHBondContact O-N 3.18Å; C603-G607 PolarHBondContact O-N 3.14Å; C603-D642 HydrophobicContact CB-CB 4.45Å; C603-D642 VanDerWaalsContact CB-OD1 3.28Å; C603-D642 WeakPolarHBondContact CB-OD1 3.39Å
604I92Very high90.8Very high57 Ų5742.8 Ų42.829%0.29224%0.244SC..Hα-helixtrans-58.5-43.6176.1-66.9165.4000110.5P600 F602 V606 G607 Q608P600-I604 WeakPolarHBondContact O-CG1 3.17Å; P600-I604 PolarHBondContact O-N 3.41Å; F602-I604 PolarHBondContact O-N 3.23Å; I604-V606 PolarHBondContact O-N 3.09Å; I604-G607 PolarHBondContact O-N 3.04Å; I604-Q608 HydrophobicContact CG2-CG 4.42Å; I604-Q608 WeakPolarHBondContact O-CB 3.28Å; I604-Q608 WeakPolarHBondContact O-CG 3.28Å; I604-Q608 PolarHBondContact O-N 3.27Å
605K93.8Very high91.3Very high106 Ų10642.2 Ų42.246%0.46124%0.241SC..Hα-helixtrans-60.1-45.3176.2-173.7-174.9177.5-171.50111.9G601 F602 C603 Q608 E609G601-K605 PolarHBondContact O-N 2.77Å; F602-K605 WeakPolarHBondContact O-CB 3.34Å; F602-K605 PolarHBondContact O-N 2.82Å; F602-K605 VanDerWaalsContact O-N 3.13Å; C603-K605 VanDerWaalsContact C-N 3.31Å; C603-K605 PolarHBondContact O-N 2.89Å; K605-Q608 PolarHBondContact O-N 2.88Å; K605-E609 HydrophobicContact CG-CG 4.46Å; K605-E609 WeakPolarHBondContact O-CG 3.26Å; K605-E609 PolarHBondContact O-N 2.87Å
606V94.7Very high91.9Very high0 Ų038.2 Ų38.20%022%0.22CC..Hα-helixtrans-64.5-40.8177.7-178.10000111.1F592 F602 C603 I604 Q608 E609 Y610 F632 Y634 P638F592-V606 HydrophobicContact CD1-CG2 4.49Å; F592-V606 HydrophobicContact CE1-CG1 4.03Å; F592-V606 HydrophobicContact CE1-CG2 4.05Å; F592-V606 HydrophobicContact CZ-CG1 4.17Å; F602-V606 HydrophobicContact CD1-CG2 3.82Å; F602-V606 HydrophobicContact CE1-CG2 3.35Å; F602-V606 HydrophobicContact CE2-CG2 4.5Å; F602-V606 HydrophobicContact CZ-CG2 3.74Å; F602-V606 WeakPolarHBondContact O-CG2 3.27Å; F602-V606 PolarHBondContact O-N 2.96Å; C603-V606 PolarHBondContact O-N 3.18Å; I604-V606 PolarHBondContact O-N 3.09Å; V606-Q608 VanDerWaalsContact C-N 3.33Å; V606-Q608 PolarHBondContact O-N 2.74Å; V606-E609 PolarHBondContact O-N 2.96Å; V606-Y610 WeakPolarHBondContact O-CB 3.33Å; V606-Y610 PolarHBondContact O-N 3.3Å; V606-F632 HydrophobicContact CG1-CE2 4.4Å; V606-F632 HydrophobicContact CG1-CZ 3.99Å; V606-Y634 HydrophobicContact CB-CE2 4.45Å; V606-Y634 HydrophobicContact CG1-CD2 4.14Å; V606-Y634 HydrophobicContact CG1-CE2 4.38Å; V606-Y634 HydrophobicContact CG2-CD1 4.46Å; V606-Y634 HydrophobicContact CG2-CD2 4.28Å; V606-Y634 HydrophobicContact CG2-CE1 4.14Å; V606-Y634 HydrophobicContact CG2-CE2 3.93Å; V606-P638 HydrophobicContact CB-CB 4.36Å; V606-P638 HydrophobicContact CG1-CB 3.88Å; V606-P638 HydrophobicContact CG1-CG 4.05Å
607G95.3Very high92.8Very high0 Ų035.2 Ų35.20%020%0.2CC..Hα-helixtrans-58.7-42.1172.600000113C603 I604 Y610 A611C603-G607 PolarHBondContact O-N 3.14Å; I604-G607 PolarHBondContact O-N 3.04Å; G607-Y610 PolarHBondContact O-N 3.22Å; G607-A611 WeakPolarHBondContact O-CB 3.33Å; G607-A611 PolarHBondContact O-N 3.15Å
608Q95.3Very high93.5Very high52 Ų5230 Ų3024%0.24317%0.168CC..Hα-helixtrans-65.9-47.6176.9-83.3-176.9-2600113I604 K605 V606 Y610 A611 L612 K645 I646 L649I604-Q608 HydrophobicContact CG2-CG 4.42Å; I604-Q608 WeakPolarHBondContact O-CB 3.28Å; I604-Q608 WeakPolarHBondContact O-CG 3.28Å; I604-Q608 PolarHBondContact O-N 3.27Å; K605-Q608 PolarHBondContact O-N 2.88Å; V606-Q608 VanDerWaalsContact C-N 3.33Å; V606-Q608 PolarHBondContact O-N 2.74Å; Q608-Y610 VanDerWaalsContact C-N 3.31Å; Q608-Y610 PolarHBondContact O-N 2.84Å; Q608-A611 PolarHBondContact O-N 2.6Å; Q608-L612 PolarHBondContact O-N 2.77Å; Q608-K645 PolarHBondContact NE2-O 3.44Å; Q608-K645 VanDerWaalsContact NE2-O 3.14Å; Q608-I646 HydrophobicContact CG-CG2 4.43Å; Q608-L649 HydrophobicContact CB-CD1 4.43Å; Q608-L649 HydrophobicContact CB-CD2 3.88Å; Q608-L649 HydrophobicContact CG-CD1 4.39Å; Q608-L649 HydrophobicContact CG-CD2 3.89Å; Q608-L649 HydrophobicContact CG-CG 4.31Å
609E95.6Very high94.1Very high56 Ų5625.4 Ų25.426%0.26215%0.145SC..Hα-helixtrans-63.4-36.1175.6-65.9-69.217400112K605 V606 G613 F632 Y634K605-E609 HydrophobicContact CG-CG 4.46Å; K605-E609 WeakPolarHBondContact O-CG 3.26Å; K605-E609 PolarHBondContact O-N 2.87Å; V606-E609 PolarHBondContact O-N 2.96Å; E609-G613 PolarHBondContact O-N 2.86Å; E609-F632 HydrophobicContact CB-CD2 4.33Å; E609-F632 HydrophobicContact CB-CE2 4.2Å; E609-Y634 HydrophobicContact CB-CE2 4.28Å; E609-Y634 HydrophobicContact CG-CE2 4.23Å
610Y96.5Very high94.9Very high0 Ų025.1 Ų25.10%014%0.142CC..Hα-helixtrans-68.6-41.6175.6-163.2-75.6000111.6L346 P347 L349 V606 G607 Q608 G613 L614 F632 A637 P638 F643L346-Y610 HydrophobicContact CB-CE2 3.93Å; L346-Y610 HydrophobicContact CD1-CD1 4.22Å; L346-Y610 HydrophobicContact CD1-CE1 3.89Å; L346-Y610 HydrophobicContact CD1-CE2 4.48Å; L346-Y610 HydrophobicContact CD2-CD2 4.09Å; L346-Y610 HydrophobicContact CD2-CE2 4.15Å; L346-Y610 HydrophobicContact CD2-CG 4.41Å; L346-Y610 HydrophobicContact CG-CE2 4.43Å; P347-Y610 HydrophobicContact CG-CE2 4.3Å; P347-Y610 VanDerWaalsContact O-CE2 3.23Å; P347-Y610 WeakPolarHBondContact O-CE2 3.49Å; P347-Y610 PolarHBondContact O-OH 3.37Å; L349-Y610 HydrophobicContact CD2-CD1 4.47Å; L349-Y610 HydrophobicContact CD2-CE1 3.83Å; L349-Y610 HydrophobicContact CD2-CE2 4.11Å; V606-Y610 WeakPolarHBondContact O-CB 3.33Å; V606-Y610 PolarHBondContact O-N 3.3Å; G607-Y610 PolarHBondContact O-N 3.22Å; Q608-Y610 VanDerWaalsContact C-N 3.31Å; Q608-Y610 PolarHBondContact O-N 2.84Å; Y610-G613 CarbonylContact O-C 3.59Å; Y610-G613 WeakPolarHBondContact O-CA 3.38Å; Y610-G613 PolarHBondContact O-N 3.1Å; Y610-G613 VanDerWaalsContact O-N 3.13Å; Y610-L614 HydrophobicContact CD1-CD1 3.89Å; Y610-L614 HydrophobicContact CD1-CG 4Å; Y610-L614 HydrophobicContact CE1-CD1 3.94Å; Y610-L614 HydrophobicContact CE1-CD2 4.12Å; Y610-L614 HydrophobicContact CE1-CG 3.95Å; Y610-L614 PolarHBondContact O-N 3.28Å; Y610-F632 HydrophobicContact CD2-CD2 4.45Å; Y610-F632 HydrophobicContact CD2-CE1 4.26Å; Y610-F632 AromaticContact CD2-CE2 3.86Å; Y610-F632 HydrophobicContact CD2-CE2 3.86Å; Y610-F632 AromaticContact CD2-CZ 3.75Å; Y610-F632 HydrophobicContact CD2-CZ 3.75Å; Y610-F632 HydrophobicContact CG-CE2 4.28Å; Y610-A637 HydrophobicContact CD2-CB 4.42Å; Y610-A637 HydrophobicContact CE2-CB 3.84Å; Y610-P638 VanDerWaalsContact CD2-CD 3.4Å; Y610-P638 HydrophobicContact CD2-CG 4.12Å; Y610-P638 HydrophobicContact CG-CG 4.06Å; Y610-F643 AromaticContact CD1-CE1 3.81Å; Y610-F643 HydrophobicContact CD1-CE1 3.81Å; Y610-F643 AromaticContact CD1-CZ 3.45Å; Y610-F643 HydrophobicContact CD1-CZ 3.45Å; Y610-F643 VanDerWaalsContact CD1-CZ 3.45Å; Y610-F643 HydrophobicContact CE1-CZ 4.03Å; Y610-F643 HydrophobicContact CG-CE1 4.46Å; Y610-F643 HydrophobicContact CG-CZ 4.01Å
611A97Very high95.4Very high1 Ų121.2 Ų21.21%0.00812%0.116CC..Hα-helixtrans-64.7-38.5175.500000112.6G607 Q608 G613 L614 C615 F643 I646 L649G607-A611 WeakPolarHBondContact O-CB 3.33Å; G607-A611 PolarHBondContact O-N 3.15Å; Q608-A611 PolarHBondContact O-N 2.6Å; A611-G613 VanDerWaalsContact C-N 3.29Å; A611-G613 PolarHBondContact O-N 3.28Å; A611-L614 PolarHBondContact O-N 2.65Å; A611-C615 PolarHBondContact O-N 2.95Å; A611-C615 PolarHBondContact O-SG 3.49Å; A611-F643 HydrophobicContact CB-CD1 4.12Å; A611-F643 HydrophobicContact CB-CE1 4.18Å; A611-I646 HydrophobicContact CB-CB 4.08Å; A611-I646 HydrophobicContact CB-CD1 4.43Å; A611-I646 HydrophobicContact CB-CG2 3.77Å; A611-L649 HydrophobicContact CB-CD1 3.76Å
612L96.1Very high95.8Very high34 Ų3419.1 Ų19.118%0.1789%0.092CC..Hα-helixtrans-60.3-41.4169.9-178.663.5000111Q608 C615 W616 V651 F653Q608-L612 PolarHBondContact O-N 2.77Å; L612-C615 WeakPolarHBondContact O-CB 3.37Å; L612-C615 PolarHBondContact O-N 2.68Å; L612-W616 PolarHBondContact O-N 3.08Å; L612-V651 HydrophobicContact CD1-CG1 4.32Å; L612-V651 HydrophobicContact CD1-CG2 4.25Å; L612-F653 HydrophobicContact CD1-CE1 3.78Å; L612-F653 HydrophobicContact CD1-CE2 4.34Å; L612-F653 HydrophobicContact CD1-CZ 3.49Å; L612-F653 VanDerWaalsContact CD1-CZ 3.49Å; L612-F653 HydrophobicContact CG-CE1 4.09Å; L612-F653 HydrophobicContact CG-CZ 4.01Å
613G96.8Very high95.9Very high0 Ų018.7 Ų18.70%09%0.091CC..Hα-helixtrans-62.4-40.1174.400000114.3E609 Y610 A611 C615 W616 V617E609-G613 PolarHBondContact O-N 2.86Å; Y610-G613 CarbonylContact O-C 3.59Å; Y610-G613 WeakPolarHBondContact O-CA 3.38Å; Y610-G613 PolarHBondContact O-N 3.1Å; Y610-G613 VanDerWaalsContact O-N 3.13Å; A611-G613 VanDerWaalsContact C-N 3.29Å; A611-G613 PolarHBondContact O-N 3.28Å; G613-C615 VanDerWaalsContact C-N 3.26Å; G613-C615 PolarHBondContact O-N 2.97Å; G613-W616 WeakPolarHBondContact O-CB 3.46Å; G613-W616 PolarHBondContact O-N 2.84Å; G613-W616 VanDerWaalsContact O-N 3.12Å; G613-V617 WeakPolarHBondContact O-CG2 3.22Å; G613-V617 PolarHBondContact O-N 3.38Å
614L96.7Very high96Very high2 Ų218.7 Ų18.71%0.019%0.093CC..Hα-helixtrans-61.9-36.5174.2-71.4168.8000111.8F336 F339 F340 L346 Y610 A611 L618 F643F336-L614 HydrophobicContact CE2-CB 4.01Å; F336-L614 HydrophobicContact CZ-CB 4.19Å; F339-L614 HydrophobicContact CB-CD2 4.01Å; F340-L614 HydrophobicContact CD1-CD1 3.86Å; F340-L614 HydrophobicContact CD1-CD2 4.47Å; F340-L614 HydrophobicContact CE1-CD1 3.3Å; F340-L614 HydrophobicContact CZ-CD1 3.9Å; L346-L614 HydrophobicContact CD1-CD2 3.75Å; L346-L614 HydrophobicContact CD1-CG 3.89Å; Y610-L614 HydrophobicContact CD1-CD1 3.89Å; Y610-L614 HydrophobicContact CD1-CG 4Å; Y610-L614 HydrophobicContact CE1-CD1 3.94Å; Y610-L614 HydrophobicContact CE1-CD2 4.12Å; Y610-L614 HydrophobicContact CE1-CG 3.95Å; Y610-L614 PolarHBondContact O-N 3.28Å; A611-L614 PolarHBondContact O-N 2.65Å; L614-L618 WeakPolarHBondContact O-CB 3.38Å; L614-L618 PolarHBondContact O-N 3.49Å; L614-L618 VanDerWaalsContact O-N 3.08Å; L614-F643 HydrophobicContact CD1-CE1 4.17Å
615C97.3Very high96.2Very high7 Ų717.4 Ų17.45%0.0479%0.088CC..Hα-helixtrans-67.1-40.1172.5-59.80000112.1V383 A611 L612 G613 A619 V651 F653V383-C615 HydrophobicContact CG2-CB 4.4Å; A611-C615 PolarHBondContact O-N 2.95Å; A611-C615 PolarHBondContact O-SG 3.49Å; L612-C615 WeakPolarHBondContact O-CB 3.37Å; L612-C615 PolarHBondContact O-N 2.68Å; G613-C615 VanDerWaalsContact C-N 3.26Å; G613-C615 PolarHBondContact O-N 2.97Å; C615-A619 WeakPolarHBondContact O-CB 3.48Å; C615-A619 PolarHBondContact O-N 3.04Å; C615-V651 HydrophobicContact CB-CG1 3.65Å; C615-F653 HydrophobicContact CB-CE2 4.43Å
616W97.3Very high96.2Very high0 Ų013.9 Ų13.90%08%0.079CC..Hα-helixtrans-62.2-45.9175.4-175.197.4000111.8P109 A111 F345 L612 G613 A619 Y620 S627 W630 F653P109-W616 HydrophobicContact CB-CH2 3.78Å; P109-W616 HydrophobicContact CB-CZ2 3.6Å; P109-W616 HydrophobicContact CG-CH2 4.05Å; P109-W616 HydrophobicContact CG-CZ2 4.1Å; A111-W616 HydrophobicContact CB-CE3 4.5Å; A111-W616 HydrophobicContact CB-CH2 3.98Å; A111-W616 HydrophobicContact CB-CZ2 4.38Å; A111-W616 HydrophobicContact CB-CZ3 4.03Å; F345-W616 HydrophobicContact CB-CZ3 4.37Å; F345-W616 HydrophobicContact CD1-CH2 4.09Å; F345-W616 AromaticContact CD1-CZ3 3.61Å; F345-W616 HydrophobicContact CD1-CZ3 3.61Å; F345-W616 HydrophobicContact CD2-CZ3 4.33Å; F345-W616 HydrophobicContact CE1-CH2 4.15Å; F345-W616 AromaticContact CE1-CZ3 3.91Å; F345-W616 HydrophobicContact CE1-CZ3 3.91Å; F345-W616 AromaticContact CG-CZ3 3.83Å; F345-W616 HydrophobicContact CG-CZ3 3.83Å; F345-W616 HydrophobicContact CZ-CZ3 4.42Å; L612-W616 PolarHBondContact O-N 3.08Å; G613-W616 WeakPolarHBondContact O-CB 3.46Å; G613-W616 PolarHBondContact O-N 2.84Å; G613-W616 VanDerWaalsContact O-N 3.12Å; W616-A619 PolarHBondContact O-N 2.79Å; W616-Y620 AromaticContact CH2-CD1 3.51Å; W616-Y620 HydrophobicContact CH2-CD1 3.51Å; W616-Y620 AromaticContact CH2-CE1 3.94Å; W616-Y620 HydrophobicContact CH2-CE1 3.94Å; W616-Y620 HydrophobicContact CH2-CG 4.01Å; W616-Y620 HydrophobicContact CZ2-CD1 4.45Å; W616-Y620 AromaticContact CZ3-CD1 3.65Å; W616-Y620 HydrophobicContact CZ3-CD1 3.65Å; W616-Y620 HydrophobicContact CZ3-CE1 4.39Å; W616-Y620 HydrophobicContact CZ3-CG 4.22Å; W616-Y620 WeakPolarHBondContact O-CB 3.09Å; W616-Y620 PolarHBondContact O-N 2.87Å; W616-S627 PolarHBondContact NE1-O 2.77Å; W616-W630 HydrophobicContact CB-CD2 4.25Å; W616-W630 HydrophobicContact CB-CE3 3.92Å; W616-W630 HydrophobicContact CB-CZ3 4.14Å; W616-W630 AromaticContact CD1-CD2 3.96Å; W616-W630 AromaticContact CD1-CE3 3.73Å; W616-W630 AromaticContact CD2-CE3 3.59Å; W616-W630 HydrophobicContact CD2-CE3 3.59Å; W616-W630 AromaticContact CD2-CZ3 3.95Å; W616-W630 HydrophobicContact CD2-CZ3 3.95Å; W616-W630 AromaticContact CE2-CE3 4Å; W616-W630 HydrophobicContact CE3-CE3 4.1Å; W616-W630 HydrophobicContact CE3-CZ3 4Å; W616-W630 AromaticContact CG-CD2 3.99Å; W616-W630 HydrophobicContact CG-CD2 3.99Å; W616-W630 AromaticContact CG-CE3 3.47Å; W616-W630 HydrophobicContact CG-CE3 3.47Å; W616-W630 VanDerWaalsContact CG-CE3 3.47Å; W616-W630 HydrophobicContact CG-CZ3 4.01Å; W616-W630 AromaticContact NE1-CE3 4Å; W616-F653 HydrophobicContact CB-CE1 4.17Å; W616-F653 HydrophobicContact CB-CE2 4.22Å; W616-F653 HydrophobicContact CB-CZ 3.65Å; W616-F653 AromaticContact CD1-CE1 3.9Å; W616-F653 HydrophobicContact CG-CE1 4.46Å; W616-F653 HydrophobicContact CG-CZ 4.32Å
617V97.1Very high96.2Very high0 Ų014.1 Ų14.10%08%0.08CC..Hα-helixtrans-63.6-45.9179.1175.90000110.9F339 F345 L346 G613 A619 Y620 Y621F339-V617 HydrophobicContact CD1-CG1 4.05Å; F339-V617 HydrophobicContact CD2-CG1 3.94Å; F339-V617 HydrophobicContact CE1-CG1 4Å; F339-V617 HydrophobicContact CE2-CG1 3.89Å; F339-V617 HydrophobicContact CG-CG1 4.03Å; F339-V617 HydrophobicContact CZ-CG1 3.92Å; F345-V617 HydrophobicContact CB-CG2 3.83Å; F345-V617 HydrophobicContact CD2-CB 4.45Å; F345-V617 HydrophobicContact CD2-CG1 4.04Å; F345-V617 HydrophobicContact CD2-CG2 3.59Å; F345-V617 HydrophobicContact CE2-CG1 4.32Å; F345-V617 HydrophobicContact CG-CG2 3.97Å; L346-V617 HydrophobicContact CD1-CG2 4.45Å; G613-V617 WeakPolarHBondContact O-CG2 3.22Å; G613-V617 PolarHBondContact O-N 3.38Å; V617-A619 VanDerWaalsContact C-N 3.34Å; V617-A619 PolarHBondContact O-N 2.92Å; V617-Y620 PolarHBondContact O-N 2.89Å; V617-Y621 HydrophobicContact CG1-CD2 4.2Å; V617-Y621 HydrophobicContact CG1-CE2 4.01Å; V617-Y621 VanDerWaalsContact O-CD2 3.25Å; V617-Y621 WeakPolarHBondContact O-CD2 3.42Å; V617-Y621 PolarHBondContact O-N 3.15Å; V617-Y621 VanDerWaalsContact O-N 3.14Å
618L97.2Very high96.3Very high0 Ų016.6 Ų16.60%09%0.09CC..Hα-helixtrans-62.6-41.7176.9-17170.6000111.7F336 F339 T378 V383 L614 Y620 Y621 Y622F336-L618 HydrophobicContact CB-CD1 4.21Å; F336-L618 HydrophobicContact CD2-CB 4.13Å; F336-L618 HydrophobicContact CD2-CD1 4.07Å; F336-L618 HydrophobicContact CD2-CD2 3.94Å; F336-L618 HydrophobicContact CD2-CG 4.26Å; F336-L618 HydrophobicContact CE2-CB 4.47Å; F336-L618 HydrophobicContact CE2-CD2 4.45Å; F339-L618 HydrophobicContact CE2-CB 4.23Å; F339-L618 HydrophobicContact CE2-CD1 3.82Å; T378-L618 HydrophobicContact CG2-CD2 3.53Å; V383-L618 HydrophobicContact CG2-CB 4.42Å; V383-L618 HydrophobicContact CG2-CD2 3.52Å; L614-L618 WeakPolarHBondContact O-CB 3.38Å; L614-L618 PolarHBondContact O-N 3.49Å; L614-L618 VanDerWaalsContact O-N 3.08Å; L618-Y620 PolarHBondContact O-N 3.45Å; L618-Y621 PolarHBondContact O-N 3.5Å; L618-Y622 HydrophobicContact CD1-CD2 3.52Å; L618-Y622 HydrophobicContact CD1-CE2 3.44Å; L618-Y622 VanDerWaalsContact CD1-CE2 3.44Å; L618-Y622 HydrophobicContact CG-CD2 4.07Å; L618-Y622 HydrophobicContact CG-CE2 4.45Å; L618-Y622 WeakPolarHBondContact O-CD2 2.96Å; L618-Y622 PolarHBondContact O-N 3.45Å
619A96.2Very high96.3Very high13 Ų1315.8 Ų15.811%0.1079%0.087CC..Hα-helixtrans-62.3-41.2174.500000111.9C615 W616 V617 Y621 Y622 Q623 G624 A626C615-A619 WeakPolarHBondContact O-CB 3.48Å; C615-A619 PolarHBondContact O-N 3.04Å; W616-A619 PolarHBondContact O-N 2.79Å; V617-A619 VanDerWaalsContact C-N 3.34Å; V617-A619 PolarHBondContact O-N 2.92Å; A619-Y621 VanDerWaalsContact C-N 3.28Å; A619-Y621 PolarHBondContact O-N 2.94Å; A619-Y622 PolarHBondContact O-N 2.94Å; A619-Q623 CarbonylContact O-C 3.53Å; A619-Q623 WeakPolarHBondContact O-CA 3.36Å; A619-Q623 WeakPolarHBondContact O-CB 3.33Å; A619-Q623 PolarHBondContact O-N 3.28Å; A619-G624 CarbonylContact C-O 3.59Å; A619-G624 PolarHBondContact O-N 3.36Å; A619-G624 VanDerWaalsContact O-O 3.12Å; A619-A626 HydrophobicContact CB-CB 3.89Å
620Y96.8Very high96.3Very high4 Ų414.4 Ų14.42%0.0168%0.08CC..Hα-helixtrans-61.1-36.5178.7-171.7-155.1000112.5P109 E204 H207 F345 W616 V617 L618 G624 C625P109-Y620 WeakPolarHBondContact CD-OH 3.49Å; P109-Y620 HydrophobicContact CG-CE1 4.09Å; P109-Y620 HydrophobicContact CG-CE2 4.23Å; E204-Y620 WeakPolarHBondContact OE1-CE1 3.38Å; E204-Y620 PolarHBondContact OE1-OH 3.4Å; H207-Y620 HydrophobicContact CB-CE2 3.83Å; H207-Y620 AromaticContact CD2-CE1 3.52Å; H207-Y620 AromaticContact CD2-CZ 3.43Å; H207-Y620 VanDerWaalsContact CD2-CZ 3.43Å; H207-Y620 AromaticContact CE1-CD1 3.47Å; H207-Y620 VanDerWaalsContact CE1-CD1 3.47Å; H207-Y620 WeakPolarHBondContact CE1-CD1 3.38Å; H207-Y620 AromaticContact CE1-CD2 3.72Å; H207-Y620 AromaticContact CE1-CE1 3.59Å; H207-Y620 AromaticContact CE1-CE2 3.83Å; H207-Y620 AromaticContact CE1-CG 3.55Å; H207-Y620 AromaticContact CE1-CZ 3.77Å; H207-Y620 AromaticContact CG-CE1 3.84Å; H207-Y620 AromaticContact CG-CE2 3.48Å; H207-Y620 VanDerWaalsContact CG-CE2 3.48Å; H207-Y620 AromaticContact CG-CZ 3.32Å; H207-Y620 AromaticContact ND1-CD2 3.48Å; H207-Y620 WeakPolarHBondContact ND1-CD2 3.07Å; H207-Y620 AromaticContact ND1-CE1 3.88Å; H207-Y620 AromaticContact ND1-CE2 3.34Å; H207-Y620 VanDerWaalsContact ND1-CE2 3.34Å; H207-Y620 WeakPolarHBondContact ND1-CE2 3.25Å; H207-Y620 AromaticContact ND1-CG 3.84Å; H207-Y620 AromaticContact ND1-CZ 3.55Å; H207-Y620 PolarHBondContact ND1-O 2.66Å; H207-Y620 AromaticContact NE2-CD1 3.59Å; H207-Y620 AromaticContact NE2-CE1 3.35Å; H207-Y620 WeakPolarHBondContact NE2-CE1 3.27Å; H207-Y620 AromaticContact NE2-CZ 3.72Å; F345-Y620 HydrophobicContact CE1-CD1 4.06Å; F345-Y620 AromaticContact CE1-CE1 3.8Å; F345-Y620 HydrophobicContact CE1-CE1 3.8Å; F345-Y620 HydrophobicContact CE2-CD1 4.41Å; F345-Y620 AromaticContact CZ-CD1 3.76Å; F345-Y620 HydrophobicContact CZ-CD1 3.76Å; F345-Y620 AromaticContact CZ-CE1 3.66Å; F345-Y620 HydrophobicContact CZ-CE1 3.66Å; W616-Y620 AromaticContact CH2-CD1 3.51Å; W616-Y620 HydrophobicContact CH2-CD1 3.51Å; W616-Y620 AromaticContact CH2-CE1 3.94Å; W616-Y620 HydrophobicContact CH2-CE1 3.94Å; W616-Y620 HydrophobicContact CH2-CG 4.01Å; W616-Y620 HydrophobicContact CZ2-CD1 4.45Å; W616-Y620 AromaticContact CZ3-CD1 3.65Å; W616-Y620 HydrophobicContact CZ3-CD1 3.65Å; W616-Y620 HydrophobicContact CZ3-CE1 4.39Å; W616-Y620 HydrophobicContact CZ3-CG 4.22Å; W616-Y620 WeakPolarHBondContact O-CB 3.09Å; W616-Y620 PolarHBondContact O-N 2.87Å; V617-Y620 PolarHBondContact O-N 2.89Å; L618-Y620 PolarHBondContact O-N 3.45Å; Y620-G624 WeakPolarHBondContact CA-O 3.43Å; Y620-C625 HydrophobicContact CD2-CB 3.94Å; Y620-C625 HydrophobicContact CE2-CB 3.96Å
621Y97.2Very high96.3Very high6 Ų617.9 Ų17.92%0.0249%0.093CC..Hα-helixtrans-74.8-46.3178-82.4-129.7000112.8H207 D236 M239 L240 V335 F339 F345 V617 L618 A619H207-Y621 AromaticContact CE1-CD2 3.65Å; H207-Y621 AromaticContact CE1-CE2 3.88Å; H207-Y621 AromaticContact NE2-CE2 3.82Å; D236-Y621 VanDerWaalsContact CB-OH 3.31Å; D236-Y621 WeakPolarHBondContact CB-OH 3.41Å; D236-Y621 VanDerWaalsContact CG-OH 3.25Å; D236-Y621 PolarHBondContact OD2-OH 3.34Å; M239-Y621 HydrophobicContact CB-CD1 4.4Å; M239-Y621 HydrophobicContact CB-CE1 3.81Å; L240-Y621 HydrophobicContact CD2-CD1 3.34Å; L240-Y621 HydrophobicContact CD2-CD2 3.95Å; L240-Y621 HydrophobicContact CD2-CE1 3.53Å; L240-Y621 HydrophobicContact CD2-CE2 4.1Å; L240-Y621 HydrophobicContact CD2-CG 3.57Å; L240-Y621 HydrophobicContact CG-CD1 3.91Å; L240-Y621 HydrophobicContact CG-CE1 3.67Å; V335-Y621 HydrophobicContact CG1-CD1 4.5Å; F339-Y621 AromaticContact CE1-CD1 3.96Å; F339-Y621 HydrophobicContact CE1-CD1 3.96Å; F339-Y621 AromaticContact CE1-CE1 3.55Å; F339-Y621 HydrophobicContact CE1-CE1 3.55Å; F339-Y621 HydrophobicContact CE1-CE2 4.25Å; F339-Y621 HydrophobicContact CE1-CG 4.45Å; F339-Y621 AromaticContact CE1-CZ 3.71Å; F339-Y621 AromaticContact CZ-CD1 3.61Å; F339-Y621 HydrophobicContact CZ-CD1 3.61Å; F339-Y621 HydrophobicContact CZ-CD2 4.17Å; F339-Y621 AromaticContact CZ-CE1 3.72Å; F339-Y621 HydrophobicContact CZ-CE1 3.72Å; F339-Y621 HydrophobicContact CZ-CE2 4.3Å; F339-Y621 AromaticContact CZ-CG 3.84Å; F339-Y621 HydrophobicContact CZ-CG 3.84Å; F345-Y621 HydrophobicContact CE2-CE2 4.12Å; V617-Y621 HydrophobicContact CG1-CD2 4.2Å; V617-Y621 HydrophobicContact CG1-CE2 4.01Å; V617-Y621 VanDerWaalsContact O-CD2 3.25Å; V617-Y621 WeakPolarHBondContact O-CD2 3.42Å; V617-Y621 PolarHBondContact O-N 3.15Å; V617-Y621 VanDerWaalsContact O-N 3.14Å; L618-Y621 PolarHBondContact O-N 3.5Å; A619-Y621 VanDerWaalsContact C-N 3.28Å; A619-Y621 PolarHBondContact O-N 2.94Å
622Y97.3Very high96.3Very high7 Ų718.2 Ų18.23%0.0279%0.094CC..Hα-helixtrans-95.9-23.5-170.6-76.3-95.4000114.8R214 A243 H245 D332 V335 L618 A619 S852R214-Y622 WeakPolarHBondContact CD-O 3.49Å; A243-Y622 HydrophobicContact CB-CD1 4.26Å; A243-Y622 HydrophobicContact CB-CD2 4.28Å; A243-Y622 HydrophobicContact CB-CE1 3.7Å; A243-Y622 HydrophobicContact CB-CE2 3.72Å; A243-Y622 WeakPolarHBondContact CB-OH 3.37Å; H245-Y622 AromaticContact NE2-CE1 3.69Å; D332-Y622 WeakPolarHBondContact CA-OH 3.46Å; D332-Y622 HydrophobicContact CB-CE1 4.47Å; D332-Y622 VanDerWaalsContact OD1-CE1 3.3Å; D332-Y622 WeakPolarHBondContact OD1-CE1 3.27Å; D332-Y622 PolarHBondContact OD1-OH 3.4Å; V335-Y622 HydrophobicContact CG1-CE2 4.1Å; L618-Y622 HydrophobicContact CD1-CD2 3.52Å; L618-Y622 HydrophobicContact CD1-CE2 3.44Å; L618-Y622 VanDerWaalsContact CD1-CE2 3.44Å; L618-Y622 HydrophobicContact CG-CD2 4.07Å; L618-Y622 HydrophobicContact CG-CE2 4.45Å; L618-Y622 WeakPolarHBondContact O-CD2 2.96Å; L618-Y622 PolarHBondContact O-N 3.45Å; A619-Y622 PolarHBondContact O-N 2.94Å; Y622-S852 WeakPolarHBondContact CD1-OG 3.44Å
623Q96.1Very high96.3Very high40 Ų4018.5 Ų18.519%0.18710%0.099CC..THydrogen-bonded Turntrans-126.1-21.5-172.9-57.9-56.2-35.500113.1R214 S380 A619 F850R214-Q623 PolarHBondContact NH2-O 3.13Å; S380-Q623 PolarHBondContact O-NE2 2.87Å; A619-Q623 CarbonylContact O-C 3.53Å; A619-Q623 WeakPolarHBondContact O-CA 3.36Å; A619-Q623 WeakPolarHBondContact O-CB 3.33Å; A619-Q623 PolarHBondContact O-N 3.28Å; Q623-F850 PolarHBondContact NE2-O 3.03Å
624G94.5Very high96.2Very high8 Ų820.3 Ų20.38%0.08211%0.106CC..  trans102.5176.1-173.500000111.4A619 Y620 A626A619-G624 CarbonylContact C-O 3.59Å; A619-G624 PolarHBondContact O-N 3.36Å; A619-G624 VanDerWaalsContact O-O 3.12Å; Y620-G624 WeakPolarHBondContact CA-O 3.43Å; G624-A626 PolarHBondContact O-N 3.47Å
625C95.3Very high96.1Very high29 Ų2923 Ų2320%0.19612%0.118CC..  trans-59107.6-171.2-174.60000112.1P109 Y620 S627 W628P109-C625 HydrophobicContact CG-CB 4.49Å; Y620-C625 HydrophobicContact CD2-CB 3.94Å; Y620-C625 HydrophobicContact CE2-CB 3.96Å; C625-S627 VanDerWaalsContact SG-C 3.59Å; C625-S627 PolarHBondContact SG-O 3.44Å; C625-W628 HydrophobicContact CB-CD2 4.39Å; C625-W628 HydrophobicContact CB-CH2 4.42Å; C625-W628 HydrophobicContact CB-CZ2 3.93Å
626A94.1Very high95.9Very high33 Ų3323.2 Ų23.227%0.27312%0.118SC..SBendtrans-74.1-31.1-176.400000113.2A619 G624 F653A619-A626 HydrophobicContact CB-CB 3.89Å; G624-A626 PolarHBondContact O-N 3.47Å; A626-F653 HydrophobicContact CB-CB 4.12Å; A626-F653 HydrophobicContact CB-CD2 3.86Å; A626-F653 HydrophobicContact CB-CG 4.07Å
627S95.4Very high95.7Very high4 Ų423.3 Ų23.33%0.02812%0.118CC..  trans-152.2134.2169.5133.50000109.6W616 C625 D629 W630 T658W616-S627 PolarHBondContact NE1-O 2.77Å; C625-S627 VanDerWaalsContact SG-C 3.59Å; C625-S627 PolarHBondContact SG-O 3.44Å; S627-D629 PolarHBondContact OG-N 2.89Å; S627-D629 PolarHBondContact OG-OD1 3.49Å; S627-W630 WeakPolarHBondContact OG-CB 3.29Å; S627-W630 PolarHBondContact OG-N 3.16Å; S627-T658 WeakPolarHBondContact CA-OG1 3.3Å
628W96Very high95.6Very high52 Ų5223.3 Ų23.320%0.19712%0.118CC..SBendtrans-82-19.1178.9-69.892000113.7V107 P109 R110 P202 C625 T658 P660V107-W628 WeakPolarHBondContact O-CZ3 3.38Å; P109-W628 HydrophobicContact CB-CE3 4.17Å; P109-W628 HydrophobicContact CG-CE3 3.96Å; P109-W628 HydrophobicContact CG-CZ3 3.89Å; R110-W628 WeakPolarHBondContact CB-O 3.27Å; R110-W628 PolarHBondContact N-O 2.75Å; P202-W628 HydrophobicContact CB-CH2 4.1Å; C625-W628 HydrophobicContact CB-CD2 4.39Å; C625-W628 HydrophobicContact CB-CH2 4.42Å; C625-W628 HydrophobicContact CB-CZ2 3.93Å; W628-T658 PolarHBondContact N-OG1 3.05Å; W628-P660 HydrophobicContact CD2-CB 3.82Å; W628-P660 HydrophobicContact CD2-CG 4.2Å; W628-P660 HydrophobicContact CE3-CB 3.57Å; W628-P660 HydrophobicContact CE3-CG 4.36Å; W628-P660 HydrophobicContact CG-CB 4.42Å; W628-P660 HydrophobicContact CH2-CB 4.31Å; W628-P660 HydrophobicContact CZ2-CG 4.39Å; W628-P660 HydrophobicContact CZ3-CB 3.84Å
629D95.5Very high95.5Very high35 Ų3523.3 Ų23.319%0.18712%0.118CC..SBendtrans-101.1-18.5-17569.8-24.4000114.1R110 S627 K656 T658R110-D629 WeakPolarHBondContact CG-O 3.27Å; S627-D629 PolarHBondContact OG-N 2.89Å; S627-D629 PolarHBondContact OG-OD1 3.49Å; D629-K656 WeakPolarHBondContact OD2-CD 3.35Å; D629-K656 VanDerWaalsContact OD2-CE 3.3Å; D629-K656 WeakPolarHBondContact OD2-CE 3.38Å; D629-K656 IonicContact OD2-NZ 2.67Å; D629-K656 PolarHBondContact OD2-NZ 2.88Å; D629-T658 HydrophobicContact CB-CG2 4.33Å; D629-T658 VanDerWaalsContact CG-CG2 3.47Å; D629-T658 WeakPolarHBondContact OD1-CG2 3.45Å
630W96.3Very high95.4Very high27 Ų2722.8 Ų22.810%0.10211%0.114CC..  trans-66.3140.9179.918091.4000111.2A111 L346 W616 S627 F632 F653A111-W630 HydrophobicContact CB-CE3 4.13Å; A111-W630 HydrophobicContact CB-CZ3 3.97Å; A111-W630 PolarHBondContact N-O 3.12Å; L346-W630 HydrophobicContact CD2-CH2 4.22Å; W616-W630 HydrophobicContact CB-CD2 4.25Å; W616-W630 HydrophobicContact CB-CE3 3.92Å; W616-W630 HydrophobicContact CB-CZ3 4.14Å; W616-W630 AromaticContact CD1-CD2 3.96Å; W616-W630 AromaticContact CD1-CE3 3.73Å; W616-W630 AromaticContact CD2-CE3 3.59Å; W616-W630 HydrophobicContact CD2-CE3 3.59Å; W616-W630 AromaticContact CD2-CZ3 3.95Å; W616-W630 HydrophobicContact CD2-CZ3 3.95Å; W616-W630 AromaticContact CE2-CE3 4Å; W616-W630 HydrophobicContact CE3-CE3 4.1Å; W616-W630 HydrophobicContact CE3-CZ3 4Å; W616-W630 AromaticContact CG-CD2 3.99Å; W616-W630 HydrophobicContact CG-CD2 3.99Å; W616-W630 AromaticContact CG-CE3 3.47Å; W616-W630 HydrophobicContact CG-CE3 3.47Å; W616-W630 VanDerWaalsContact CG-CE3 3.47Å; W616-W630 HydrophobicContact CG-CZ3 4.01Å; W616-W630 AromaticContact NE1-CE3 4Å; S627-W630 WeakPolarHBondContact OG-CB 3.29Å; S627-W630 PolarHBondContact OG-N 3.16Å; W630-F632 HydrophobicContact CH2-CB 3.94Å; W630-F632 HydrophobicContact CZ2-CB 4.24Å; W630-F653 HydrophobicContact CG-CE1 4.31Å
631Y96.5Very high95.2Very high73 Ų7324.4 Ų24.429%0.28613%0.126SC..  trans-153.4155.4170.567.7-77000109.9R110 N114 P633 F721R110-Y631 HydrophobicContact CG-CD1 3.82Å; R110-Y631 HydrophobicContact CG-CG 4.22Å; N114-Y631 WeakPolarHBondContact ND2-CB 3.1Å; N114-Y631 WeakPolarHBondContact ND2-CD2 3.25Å; Y631-P633 HydrophobicContact CD2-CB 4.35Å; Y631-P633 HydrophobicContact CE2-CB 3.79Å; Y631-P633 WeakPolarHBondContact O-CD 3.23Å; Y631-F721 HydrophobicContact CD2-CD1 4.04Å; Y631-F721 HydrophobicContact CD2-CE1 4.19Å; Y631-F721 HydrophobicContact CE2-CB 4.26Å; Y631-F721 AromaticContact CE2-CD1 3.73Å; Y631-F721 HydrophobicContact CE2-CD1 3.73Å; Y631-F721 HydrophobicContact CE2-CE1 4.19Å; Y631-F721 AromaticContact CE2-CG 3.95Å; Y631-F721 HydrophobicContact CE2-CG 3.95Å
632F96.8Very high95Very high8 Ų824.2 Ų24.24%0.03513%0.125CC..  trans-75.9117.7171-178.4-110.6000110.1L346 P347 V606 E609 Y610 W630 Y634 Y636L346-F632 HydrophobicContact CD2-CB 3.68Å; L346-F632 HydrophobicContact CD2-CD1 4.3Å; L346-F632 HydrophobicContact CD2-CD2 4.01Å; L346-F632 HydrophobicContact CD2-CG 3.74Å; P347-F632 HydrophobicContact CG-CD1 4.07Å; P347-F632 HydrophobicContact CG-CE1 3.7Å; V606-F632 HydrophobicContact CG1-CE2 4.4Å; V606-F632 HydrophobicContact CG1-CZ 3.99Å; E609-F632 HydrophobicContact CB-CD2 4.33Å; E609-F632 HydrophobicContact CB-CE2 4.2Å; Y610-F632 HydrophobicContact CD2-CD2 4.45Å; Y610-F632 HydrophobicContact CD2-CE1 4.26Å; Y610-F632 AromaticContact CD2-CE2 3.86Å; Y610-F632 HydrophobicContact CD2-CE2 3.86Å; Y610-F632 AromaticContact CD2-CZ 3.75Å; Y610-F632 HydrophobicContact CD2-CZ 3.75Å; Y610-F632 HydrophobicContact CG-CE2 4.28Å; W630-F632 HydrophobicContact CH2-CB 3.94Å; W630-F632 HydrophobicContact CZ2-CB 4.24Å; F632-Y634 VanDerWaalsContact C-N 3.26Å; F632-Y634 WeakPolarHBondContact CD1-O 3.34Å; F632-Y634 HydrophobicContact CD2-CD2 4.36Å; F632-Y634 HydrophobicContact CE1-CD2 4.2Å; F632-Y634 HydrophobicContact CE1-CG 4.48Å; F632-Y634 VanDerWaalsContact CE1-O 3.29Å; F632-Y634 WeakPolarHBondContact CE1-O 3.44Å; F632-Y634 AromaticContact CE2-CD2 3.78Å; F632-Y634 HydrophobicContact CE2-CD2 3.78Å; F632-Y634 HydrophobicContact CE2-CE2 4.48Å; F632-Y634 AromaticContact CZ-CD2 3.69Å; F632-Y634 HydrophobicContact CZ-CD2 3.69Å; F632-Y634 HydrophobicContact CZ-CG 4.29Å; F632-Y634 PolarHBondContact O-N 3.49Å; F632-Y634 VanDerWaalsContact O-N 3.15Å; F632-Y636 WeakPolarHBondContact CE1-O 3.44Å
633P95.7Very high94.9Very high41 Ų4124 Ų2427%0.26613%0.125SC..  trans-8927.5-165.836.2-36.3000114.3Y631 F721Y631-P633 HydrophobicContact CD2-CB 4.35Å; Y631-P633 HydrophobicContact CE2-CB 3.79Å; Y631-P633 WeakPolarHBondContact O-CD 3.23Å; P633-F721 WeakPolarHBondContact O-CE2 3.44Å
634Y95.3Very high94.6Very high38 Ų3824.7 Ų24.715%0.14913%0.134CC..  trans-138.2147.3179.3-49.3-82.7000111.1F592 F602 V606 E609 F632 Y636F592-Y634 HydrophobicContact CD1-CD1 4.02Å; F592-Y634 HydrophobicContact CD1-CG 4.5Å; F592-Y634 AromaticContact CE1-CD1 3.99Å; F592-Y634 HydrophobicContact CE1-CD1 3.99Å; F592-Y634 HydrophobicContact CE1-CG 4.01Å; F602-Y634 HydrophobicContact CE2-CE1 4.07Å; F602-Y634 HydrophobicContact CZ-CD1 4.24Å; F602-Y634 AromaticContact CZ-CE1 3.68Å; F602-Y634 HydrophobicContact CZ-CE1 3.68Å; V606-Y634 HydrophobicContact CB-CE2 4.45Å; V606-Y634 HydrophobicContact CG1-CD2 4.14Å; V606-Y634 HydrophobicContact CG1-CE2 4.38Å; V606-Y634 HydrophobicContact CG2-CD1 4.46Å; V606-Y634 HydrophobicContact CG2-CD2 4.28Å; V606-Y634 HydrophobicContact CG2-CE1 4.14Å; V606-Y634 HydrophobicContact CG2-CE2 3.93Å; E609-Y634 HydrophobicContact CB-CE2 4.28Å; E609-Y634 HydrophobicContact CG-CE2 4.23Å; F632-Y634 VanDerWaalsContact C-N 3.26Å; F632-Y634 WeakPolarHBondContact CD1-O 3.34Å; F632-Y634 HydrophobicContact CD2-CD2 4.36Å; F632-Y634 HydrophobicContact CE1-CD2 4.2Å; F632-Y634 HydrophobicContact CE1-CG 4.48Å; F632-Y634 VanDerWaalsContact CE1-O 3.29Å; F632-Y634 WeakPolarHBondContact CE1-O 3.44Å; F632-Y634 AromaticContact CE2-CD2 3.78Å; F632-Y634 HydrophobicContact CE2-CD2 3.78Å; F632-Y634 HydrophobicContact CE2-CE2 4.48Å; F632-Y634 AromaticContact CZ-CD2 3.69Å; F632-Y634 HydrophobicContact CZ-CD2 3.69Å; F632-Y634 HydrophobicContact CZ-CG 4.29Å; F632-Y634 PolarHBondContact O-N 3.49Å; F632-Y634 VanDerWaalsContact O-N 3.15Å; Y634-Y636 VanDerWaalsContact C-N 3.32Å
635H93.5Very high94.4Very high57 Ų5729.3 Ų29.326%0.26415%0.152SC..SBendtrans-77.8-14.8179.1-57.793.7000114.2V716 L718 L719 F721H635-V716 HydrophobicContact CB-CG1 3.84Å; H635-L718 HydrophobicContact CB-CD2 3.97Å; H635-L719 PolarHBondContact CE1-O 3.42Å; H635-L719 PolarHBondContact NE2-O 3Å; H635-F721 AromaticContact CE1-CE2 3.61Å; H635-F721 AromaticContact NE2-CE2 3.91Å; H635-F721 AromaticContact NE2-CZ 3.96Å
636Y93.2Very high94.4Very high13 Ų1327.9 Ų27.95%0.05114%0.142CC..SBendtrans-129.4152.5-174.1-49.6-87.9000111.6K591 F592 F632 Y634 D705 V716 L718K591-Y636 HydrophobicContact CB-CD1 4.31Å; K591-Y636 HydrophobicContact CB-CD2 3.77Å; K591-Y636 HydrophobicContact CB-CE1 4.37Å; K591-Y636 HydrophobicContact CB-CE2 3.86Å; K591-Y636 HydrophobicContact CB-CG 4Å; K591-Y636 HydrophobicContact CD-CD1 4.38Å; K591-Y636 HydrophobicContact CD-CE1 3.89Å; K591-Y636 HydrophobicContact CG-CD1 4.41Å; K591-Y636 HydrophobicContact CG-CE1 4.38Å; K591-Y636 WeakPolarHBondContact O-CD2 3.05Å; K591-Y636 WeakPolarHBondContact O-CE2 3.5Å; F592-Y636 WeakPolarHBondContact CZ-O 3.34Å; F632-Y636 WeakPolarHBondContact CE1-O 3.44Å; Y634-Y636 VanDerWaalsContact C-N 3.32Å; Y636-D705 WeakPolarHBondContact CE1-OD2 3.24Å; Y636-D705 PolarHBondContact OH-OD2 3Å; Y636-D705 VanDerWaalsContact OH-OD2 3.06Å; Y636-V716 HydrophobicContact CE1-CB 4.39Å; Y636-V716 HydrophobicContact CE1-CG1 4.46Å; Y636-V716 HydrophobicContact CE1-CG2 4.27Å; Y636-L718 HydrophobicContact CE2-CD2 4.15Å; Y636-L718 WeakPolarHBondContact OH-CD2 3.26Å
637A94.1Very high94.3Very high1 Ų129.2 Ų29.21%0.00815%0.15CC..  trans-79.2155.1176.900000112.2P347 H348 L349 Y587 Y610P347-A637 HydrophobicContact CB-CB 4.23Å; P347-A637 HydrophobicContact CG-CB 4.04Å; H348-A637 VanDerWaalsContact O-CB 3.28Å; H348-A637 WeakPolarHBondContact O-CB 3.42Å; L349-A637 HydrophobicContact CD2-CB 4.03Å; Y587-A637 WeakPolarHBondContact CE1-O 3.41Å; Y587-A637 PolarHBondContact OH-O 3.38Å; Y610-A637 HydrophobicContact CD2-CB 4.42Å; Y610-A637 HydrophobicContact CE2-CB 3.84Å
638P94.8Very high94.1Very high0 Ų035.3 Ų35.30%018%0.178CC..  trans-73.6175.516233.6-32.1000111.1P350 Y588 V606 Y610 D642 F643P350-P638 WeakPolarHBondContact CD-O 3.38Å; Y588-P638 WeakPolarHBondContact OH-CA 3.41Å; Y588-P638 WeakPolarHBondContact OH-CB 3.5Å; V606-P638 HydrophobicContact CB-CB 4.36Å; V606-P638 HydrophobicContact CG1-CB 3.88Å; V606-P638 HydrophobicContact CG1-CG 4.05Å; Y610-P638 VanDerWaalsContact CD2-CD 3.4Å; Y610-P638 HydrophobicContact CD2-CG 4.12Å; Y610-P638 HydrophobicContact CG-CG 4.06Å; P638-D642 HydrophobicContact CB-CB 4.03Å; P638-F643 HydrophobicContact CG-CE2 3.87Å; P638-F643 HydrophobicContact CG-CZ 4.11Å
639F94.3Very high93.9Very high0 Ų034.8 Ų34.80%018%0.178CC..  trans-87.1162.7167.9-58.8-77.3000111.3P350 E399 F403 F578 W583 R584 Y587 Y588 S641 D642 F643P350-F639 HydrophobicContact CB-CD1 4.15Å; P350-F639 HydrophobicContact CB-CE1 3.75Å; P350-F639 HydrophobicContact CG-CD1 3.96Å; P350-F639 HydrophobicContact CG-CE1 3.67Å; P350-F639 HydrophobicContact CG-CZ 4.42Å; E399-F639 WeakPolarHBondContact OE1-CB 3.31Å; E399-F639 WeakPolarHBondContact OE2-CB 3.35Å; F403-F639 HydrophobicContact CE2-CD1 4.4Å; F403-F639 HydrophobicContact CE2-CE1 4.21Å; F403-F639 HydrophobicContact CZ-CD1 4.05Å; F403-F639 AromaticContact CZ-CE1 3.87Å; F403-F639 HydrophobicContact CZ-CE1 3.87Å; F578-F639 AromaticContact CE1-CE1 3.72Å; F578-F639 HydrophobicContact CE1-CE1 3.72Å; F578-F639 AromaticContact CE1-CZ 3.81Å; F578-F639 HydrophobicContact CE1-CZ 3.81Å; W583-F639 HydrophobicContact CE3-CD1 4.45Å; W583-F639 AromaticContact CE3-CE1 3.89Å; W583-F639 HydrophobicContact CE3-CE1 3.89Å; W583-F639 HydrophobicContact CE3-CE2 4.06Å; W583-F639 AromaticContact CE3-CZ 3.67Å; W583-F639 HydrophobicContact CE3-CZ 3.67Å; W583-F639 HydrophobicContact CH2-CD1 4.22Å; W583-F639 HydrophobicContact CH2-CE1 4.45Å; W583-F639 HydrophobicContact CH2-CG 4.27Å; W583-F639 AromaticContact CZ3-CD1 3.58Å; W583-F639 HydrophobicContact CZ3-CD1 3.58Å; W583-F639 AromaticContact CZ3-CD2 3.73Å; W583-F639 HydrophobicContact CZ3-CD2 3.73Å; W583-F639 AromaticContact CZ3-CE1 3.45Å; W583-F639 HydrophobicContact CZ3-CE1 3.45Å; W583-F639 VanDerWaalsContact CZ3-CE1 3.45Å; W583-F639 AromaticContact CZ3-CE2 3.6Å; W583-F639 HydrophobicContact CZ3-CE2 3.6Å; W583-F639 AromaticContact CZ3-CG 3.71Å; W583-F639 HydrophobicContact CZ3-CG 3.71Å; W583-F639 AromaticContact CZ3-CZ 3.46Å; W583-F639 HydrophobicContact CZ3-CZ 3.46Å; W583-F639 VanDerWaalsContact CZ3-CZ 3.46Å; R584-F639 HydrophobicContact CG-CD2 4.13Å; R584-F639 HydrophobicContact CG-CE2 4.14Å; Y587-F639 HydrophobicContact CD1-CD2 4.31Å; Y587-F639 HydrophobicContact CD1-CE1 4.48Å; Y587-F639 AromaticContact CD1-CE2 3.21Å; Y587-F639 HydrophobicContact CD1-CE2 3.21Å; Y587-F639 AromaticContact CD1-CZ 3.31Å; Y587-F639 HydrophobicContact CD1-CZ 3.31Å; Y587-F639 AromaticContact CD2-CZ 3.94Å; Y587-F639 HydrophobicContact CD2-CZ 3.94Å; Y587-F639 HydrophobicContact CE1-CD2 4.45Å; Y587-F639 HydrophobicContact CE1-CE1 4.49Å; Y587-F639 AromaticContact CE1-CE2 3.65Å; Y587-F639 HydrophobicContact CE1-CE2 3.65Å; Y587-F639 AromaticContact CE1-CZ 3.66Å; Y587-F639 HydrophobicContact CE1-CZ 3.66Å; Y587-F639 HydrophobicContact CE2-CZ 4.28Å; Y587-F639 AromaticContact CG-CE2 3.75Å; Y587-F639 HydrophobicContact CG-CE2 3.75Å; Y587-F639 AromaticContact CG-CZ 3.42Å; Y587-F639 HydrophobicContact CG-CZ 3.42Å; Y587-F639 VanDerWaalsContact CG-CZ 3.42Å; Y588-F639 HydrophobicContact CD2-CE2 4.24Å; Y588-F639 AromaticContact CE2-CD2 3.77Å; Y588-F639 HydrophobicContact CE2-CD2 3.77Å; Y588-F639 AromaticContact CE2-CE2 3.78Å; Y588-F639 HydrophobicContact CE2-CE2 3.78Å; F639-S641 PolarHBondContact O-N 3.09Å; F639-D642 WeakPolarHBondContact CA-OD2 3.42Å; F639-D642 VanDerWaalsContact CB-OD2 3.22Å; F639-D642 WeakPolarHBondContact CB-OD2 3.42Å; F639-D642 WeakPolarHBondContact CD2-OD2 3.39Å; F639-D642 PolarHBondContact N-OD2 2.74Å; F639-D642 WeakPolarHBondContact O-CB 3.35Å; F639-D642 PolarHBondContact O-N 3.31Å; F639-F643 VanDerWaalsContact O-CD2 3.24Å; F639-F643 WeakPolarHBondContact O-CD2 3.49Å; F639-F643 WeakPolarHBondContact O-CE2 3.39Å
640A94.6Very high93.6Very high2 Ų238.9 Ų38.92%0.01720%0.2CC..G310 helixtrans-61.3-34.5176.600000111.3M392 L395 E399 D642 F643M392-A640 HydrophobicContact SD-CB 4.38Å; L395-A640 HydrophobicContact CB-CB 3.96Å; L395-A640 HydrophobicContact CD2-CB 3.68Å; L395-A640 HydrophobicContact CG-CB 3.65Å; E399-A640 PolarHBondContact OE1-N 3.34Å; E399-A640 PolarHBondContact OE2-N 3.3Å; A640-D642 PolarHBondContact O-N 3.25Å; A640-D642 VanDerWaalsContact O-N 3.16Å; A640-F643 PolarHBondContact O-N 3.46Å
641S92.4Very high93.3Very high38 Ų3840.3 Ų40.327%0.26621%0.212SC..G310 helixtrans-69.30.6174.255.10000115.9E399 R584 F639E399-S641 VanDerWaalsContact OE2-CB 3.3Å; E399-S641 WeakPolarHBondContact OE2-CB 3.16Å; E399-S641 PolarHBondContact OE2-N 2.95Å; E399-S641 PolarHBondContact OE2-OG 2.83Å; R584-S641 PolarHBondContact NH1-OG 2.87Å; R584-S641 PolarHBondContact NH2-O 3.32Å; F639-S641 PolarHBondContact O-N 3.09Å
642D93.5Very high92.9Very high2 Ų240 Ų401%0.01122%0.215CC..G310 helixtrans-100.2-9.9173.7-60.2-59.6000113.8R584 Y588 C603 P638 F639 A640 S644R584-D642 IonicContact CZ-OD1 2.67Å; R584-D642 VanDerWaalsContact CZ-OD1 3.26Å; R584-D642 IonicContact NE-OD1 3.78Å; R584-D642 PolarHBondContact NE-OD1 3.44Å; R584-D642 IonicContact NH2-OD1 3.81Å; R584-D642 PolarHBondContact NH2-OD1 2.81Å; Y588-D642 PolarHBondContact OH-OD2 3.02Å; C603-D642 HydrophobicContact CB-CB 4.45Å; C603-D642 VanDerWaalsContact CB-OD1 3.28Å; C603-D642 WeakPolarHBondContact CB-OD1 3.39Å; P638-D642 HydrophobicContact CB-CB 4.03Å; F639-D642 WeakPolarHBondContact CA-OD2 3.42Å; F639-D642 VanDerWaalsContact CB-OD2 3.22Å; F639-D642 WeakPolarHBondContact CB-OD2 3.42Å; F639-D642 WeakPolarHBondContact CD2-OD2 3.39Å; F639-D642 PolarHBondContact N-OD2 2.74Å; F639-D642 WeakPolarHBondContact O-CB 3.35Å; F639-D642 PolarHBondContact O-N 3.31Å; A640-D642 PolarHBondContact O-N 3.25Å; A640-D642 VanDerWaalsContact O-N 3.16Å; D642-S644 PolarHBondContact O-N 3.47Å
643F94Very high92.6Very high3 Ų341.5 Ų41.51%0.01322%0.222CC..  trans-7660.8178.7-71.5-107.2000111.5L349 M392 Y610 A611 L614 P638 F639 A640 I646L349-F643 HydrophobicContact CD1-CE2 4.35Å; L349-F643 HydrophobicContact CD2-CE2 4.1Å; L349-F643 HydrophobicContact CD2-CZ 4.12Å; M392-F643 HydrophobicContact CB-CB 3.67Å; M392-F643 HydrophobicContact CB-CD2 4.4Å; M392-F643 HydrophobicContact CB-CG 4.07Å; M392-F643 HydrophobicContact CG-CB 3.81Å; M392-F643 HydrophobicContact CG-CD1 3.99Å; M392-F643 HydrophobicContact CG-CD2 4.17Å; M392-F643 HydrophobicContact CG-CG 3.74Å; M392-F643 HydrophobicContact SD-CD1 4.33Å; M392-F643 HydrophobicContact SD-CD2 4.07Å; M392-F643 HydrophobicContact SD-CE1 4.42Å; M392-F643 HydrophobicContact SD-CE2 4.16Å; M392-F643 HydrophobicContact SD-CG 4.15Å; M392-F643 HydrophobicContact SD-CZ 4.33Å; Y610-F643 AromaticContact CD1-CE1 3.81Å; Y610-F643 HydrophobicContact CD1-CE1 3.81Å; Y610-F643 AromaticContact CD1-CZ 3.45Å; Y610-F643 HydrophobicContact CD1-CZ 3.45Å; Y610-F643 VanDerWaalsContact CD1-CZ 3.45Å; Y610-F643 HydrophobicContact CE1-CZ 4.03Å; Y610-F643 HydrophobicContact CG-CE1 4.46Å; Y610-F643 HydrophobicContact CG-CZ 4.01Å; A611-F643 HydrophobicContact CB-CD1 4.12Å; A611-F643 HydrophobicContact CB-CE1 4.18Å; L614-F643 HydrophobicContact CD1-CE1 4.17Å; P638-F643 HydrophobicContact CG-CE2 3.87Å; P638-F643 HydrophobicContact CG-CZ 4.11Å; F639-F643 VanDerWaalsContact O-CD2 3.24Å; F639-F643 WeakPolarHBondContact O-CD2 3.49Å; F639-F643 WeakPolarHBondContact O-CE2 3.39Å; A640-F643 PolarHBondContact O-N 3.46Å; F643-I646 HydrophobicContact CB-CD1 4.39Å; F643-I646 HydrophobicContact CB-CG2 4.17Å; F643-I646 HydrophobicContact CD1-CD1 4.29Å; F643-I646 HydrophobicContact CD1-CG2 4.26Å
644S90.2Very high92.1Very high54 Ų5442.6 Ų42.638%0.37823%0.23SC..  trans-100.2140.4178178.70000110.4D642 I646D642-S644 PolarHBondContact O-N 3.47Å; S644-I646 PolarHBondContact O-N 3.31Å
645K91.4Very high91.6Very high105 Ų10546.9 Ų46.946%0.45725%0.25SC..SBendtrans56.933.6-178-54.2-177.1174.5-165.20113.5Q608 S647 E648Q608-K645 PolarHBondContact NE2-O 3.44Å; Q608-K645 VanDerWaalsContact NE2-O 3.14Å; K645-S647 VanDerWaalsContact C-N 3.29Å; K645-E648 HydrophobicContact CB-CG 4.35Å; K645-E648 WeakPolarHBondContact CG-OE1 3.38Å; K645-E648 PolarHBondContact O-N 3.05Å
646I94.8Very high91.3Very high0 Ų050 Ų500%026%0.263CS..G310 helixtrans-75.8-23.5173.963.1163.5000111.3L385 V388 Q389 Q608 A611 F643 S644 E648 L649L385-I646 WeakPolarHBondContact CD1-O 3.37Å; L385-I646 HydrophobicContact CD2-CD1 4.27Å; V388-I646 HydrophobicContact CB-CD1 4.3Å; V388-I646 HydrophobicContact CG1-CD1 3.96Å; Q389-I646 HydrophobicContact CB-CD1 3.98Å; Q389-I646 HydrophobicContact CB-CG1 3.76Å; Q389-I646 HydrophobicContact CG-CG1 4.05Å; Q608-I646 HydrophobicContact CG-CG2 4.43Å; A611-I646 HydrophobicContact CB-CB 4.08Å; A611-I646 HydrophobicContact CB-CD1 4.43Å; A611-I646 HydrophobicContact CB-CG2 3.77Å; F643-I646 HydrophobicContact CB-CD1 4.39Å; F643-I646 HydrophobicContact CB-CG2 4.17Å; F643-I646 HydrophobicContact CD1-CD1 4.29Å; F643-I646 HydrophobicContact CD1-CG2 4.26Å; S644-I646 PolarHBondContact O-N 3.31Å; I646-E648 PolarHBondContact O-N 2.83Å; I646-L649 HydrophobicContact CB-CD1 3.98Å; I646-L649 HydrophobicContact CG2-CD1 4.26Å; I646-L649 VanDerWaalsContact O-CB 3.3Å; I646-L649 WeakPolarHBondContact O-CB 3.36Å; I646-L649 WeakPolarHBondContact O-CG 3.47Å; I646-L649 PolarHBondContact O-N 3.34Å; I646-L649 VanDerWaalsContact O-N 3.16Å
647S91.1Very high91Very high61 Ų6156.1 Ų56.143%0.42729%0.291SS..G310 helixtrans-65.2-15.1171.454.90000114.1K645K645-S647 VanDerWaalsContact C-N 3.29Å
648E91.7Very high91Very high132 Ų13257.4 Ų57.462%0.61730%0.3SS*.G310 helixtrans-90.51.2177-61.6170.8-154.500112.2K645 I646K645-E648 HydrophobicContact CB-CG 4.35Å; K645-E648 WeakPolarHBondContact CG-OE1 3.38Å; K645-E648 PolarHBondContact O-N 3.05Å; I646-E648 PolarHBondContact O-N 2.83Å
649L91.7Very high90.9Very high41 Ų4162.2 Ų62.222%0.21532%0.32CS..  trans-75.1130.6-176.9-72.1171.3000113.4L385 Q608 A611 I646 V651L385-L649 HydrophobicContact CD1-CB 4.01Å; L385-L649 HydrophobicContact CD1-CD1 4.39Å; Q608-L649 HydrophobicContact CB-CD1 4.43Å; Q608-L649 HydrophobicContact CB-CD2 3.88Å; Q608-L649 HydrophobicContact CG-CD1 4.39Å; Q608-L649 HydrophobicContact CG-CD2 3.89Å; Q608-L649 HydrophobicContact CG-CG 4.31Å; A611-L649 HydrophobicContact CB-CD1 3.76Å; I646-L649 HydrophobicContact CB-CD1 3.98Å; I646-L649 HydrophobicContact CG2-CD1 4.26Å; I646-L649 VanDerWaalsContact O-CB 3.3Å; I646-L649 WeakPolarHBondContact O-CB 3.36Å; I646-L649 WeakPolarHBondContact O-CG 3.47Å; I646-L649 PolarHBondContact O-N 3.34Å; I646-L649 VanDerWaalsContact O-N 3.16Å; L649-V651 HydrophobicContact CB-CG2 4.16Å; L649-V651 PolarHBondContact O-N 3.15Å; L649-V651 VanDerWaalsContact O-N 3.14Å
650D89.8Confident90.9Very high121 Ų12163 Ų6365%0.64733%0.325SS*.  trans-84.280.4175-173.9-1.9000110.8D652 K655D650-D652 VanDerWaalsContact C-N 3.35Å; D650-D652 PolarHBondContact O-N 3.02Å; D650-K655 IonicContact OD1-NZ 3.62Å; D650-K655 PolarHBondContact OD1-NZ 3.06Å; D650-K655 IonicContact OD2-NZ 3.15Å; D650-K655 PolarHBondContact OD2-NZ 3.38Å
651V90.7Very high90.9Very high57 Ų5763.6 Ų63.635%0.34533%0.328SS..  trans-80.978.5-179.4-1730000110.9L385 L612 C615 L649 F653L385-V651 HydrophobicContact CD1-CG2 3.72Å; L612-V651 HydrophobicContact CD1-CG1 4.32Å; L612-V651 HydrophobicContact CD1-CG2 4.25Å; C615-V651 HydrophobicContact CB-CG1 3.65Å; L649-V651 HydrophobicContact CB-CG2 4.16Å; L649-V651 PolarHBondContact O-N 3.15Å; L649-V651 VanDerWaalsContact O-N 3.14Å; V651-F653 HydrophobicContact CG1-CD2 4.48Å; V651-F653 HydrophobicContact CG1-CE2 3.88Å; V651-F653 HydrophobicContact CG1-CZ 4.49Å
652D88Confident91.1Very high67 Ų6765.6 Ų65.636%0.35833%0.329SS..  trans-135.794.5171.7-179.814.2000111.8D650 S654 K655D650-D652 VanDerWaalsContact C-N 3.35Å; D650-D652 PolarHBondContact O-N 3.02Å; D652-S654 PolarHBondContact O-N 3.49Å; D652-S654 WeakPolarHBondContact OD1-CA 3.28Å; D652-S654 WeakPolarHBondContact OD1-CB 3.33Å; D652-S654 PolarHBondContact OD1-N 2.9Å; D652-S654 PolarHBondContact OD1-OG 3.48Å; D652-S654 PolarHBondContact OD2-OG 3.29Å; D652-K655 HydrophobicContact CB-CD 4.35Å; D652-K655 HydrophobicContact CB-CG 4.44Å; D652-K655 VanDerWaalsContact OD2-CE 3.27Å; D652-K655 WeakPolarHBondContact OD2-CE 3.47Å; D652-K655 WeakPolarHBondContact OD2-CG 3.42Å
653F90.1Very high91.2Very high38 Ų3865.6 Ų65.617%0.16733%0.33CS..G310 helixtrans-71.5-9.8174.2-58.6-74.2000113.4L612 C615 W616 A626 W630 V651 K655L612-F653 HydrophobicContact CD1-CE1 3.78Å; L612-F653 HydrophobicContact CD1-CE2 4.34Å; L612-F653 HydrophobicContact CD1-CZ 3.49Å; L612-F653 VanDerWaalsContact CD1-CZ 3.49Å; L612-F653 HydrophobicContact CG-CE1 4.09Å; L612-F653 HydrophobicContact CG-CZ 4.01Å; C615-F653 HydrophobicContact CB-CE2 4.43Å; W616-F653 HydrophobicContact CB-CE1 4.17Å; W616-F653 HydrophobicContact CB-CE2 4.22Å; W616-F653 HydrophobicContact CB-CZ 3.65Å; W616-F653 AromaticContact CD1-CE1 3.9Å; W616-F653 HydrophobicContact CG-CE1 4.46Å; W616-F653 HydrophobicContact CG-CZ 4.32Å; A626-F653 HydrophobicContact CB-CB 4.12Å; A626-F653 HydrophobicContact CB-CD2 3.86Å; A626-F653 HydrophobicContact CB-CG 4.07Å; W630-F653 HydrophobicContact CG-CE1 4.31Å; V651-F653 HydrophobicContact CG1-CD2 4.48Å; V651-F653 HydrophobicContact CG1-CE2 3.88Å; V651-F653 HydrophobicContact CG1-CZ 4.49Å; F653-K655 VanDerWaalsContact C-N 3.33Å; F653-K655 PolarHBondContact O-N 2.89Å
654S85.4Confident91.3Very high64 Ų6465.5 Ų65.545%0.44833%0.329SS..G310 helixtrans-78-16.5-173.780.40000114.4D652 K656 K846D652-S654 PolarHBondContact O-N 3.49Å; D652-S654 WeakPolarHBondContact OD1-CA 3.28Å; D652-S654 WeakPolarHBondContact OD1-CB 3.33Å; D652-S654 PolarHBondContact OD1-N 2.9Å; D652-S654 PolarHBondContact OD1-OG 3.48Å; D652-S654 PolarHBondContact OD2-OG 3.29Å; S654-K656 VanDerWaalsContact C-N 3.33Å; S654-K656 PolarHBondContact O-N 3.31Å; S654-K846 PolarHBondContact O-NZ 3.44Å
655K84.7Confident91.7Very high128 Ų12863.6 Ų63.656%0.55731%0.314SS*.G310 helixtrans-60.9-33.8-178.2-67.6173.9-176.6147.90114.3D650 D652 F653D650-K655 IonicContact OD1-NZ 3.62Å; D650-K655 PolarHBondContact OD1-NZ 3.06Å; D650-K655 IonicContact OD2-NZ 3.15Å; D650-K655 PolarHBondContact OD2-NZ 3.38Å; D652-K655 HydrophobicContact CB-CD 4.35Å; D652-K655 HydrophobicContact CB-CG 4.44Å; D652-K655 VanDerWaalsContact OD2-CE 3.27Å; D652-K655 WeakPolarHBondContact OD2-CE 3.47Å; D652-K655 WeakPolarHBondContact OD2-CG 3.42Å; F653-K655 VanDerWaalsContact C-N 3.33Å; F653-K655 PolarHBondContact O-N 2.89Å
656K87.3Confident91.9Very high124 Ų12458.6 Ų58.654%0.53929%0.292SS..SBendtrans-112122.1174.5-172.7-177.7176.5-168.60107.9D629 S654 T658D629-K656 WeakPolarHBondContact OD2-CD 3.35Å; D629-K656 VanDerWaalsContact OD2-CE 3.3Å; D629-K656 WeakPolarHBondContact OD2-CE 3.38Å; D629-K656 IonicContact OD2-NZ 2.67Å; D629-K656 PolarHBondContact OD2-NZ 2.88Å; S654-K656 VanDerWaalsContact C-N 3.33Å; S654-K656 PolarHBondContact O-N 3.31Å; K656-T658 HydrophobicContact CD-CG2 4.38Å; K656-T658 HydrophobicContact CG-CG2 4.24Å
657E87.3Confident92Very high140 Ų14058.6 Ų58.665%0.65429%0.293SS*.  trans-73.5132.6168.3-169.3174.3142.700109.4
658T93.3Very high92.4Very high29 Ų2955.7 Ų55.718%0.17827%0.272CS..  trans-128.9144.8-174.263.10000108.7S627 W628 D629 K656S627-T658 WeakPolarHBondContact CA-OG1 3.3Å; W628-T658 PolarHBondContact N-OG1 3.05Å; D629-T658 HydrophobicContact CB-CG2 4.33Å; D629-T658 VanDerWaalsContact CG-CG2 3.47Å; D629-T658 WeakPolarHBondContact OD1-CG2 3.45Å; K656-T658 HydrophobicContact CD-CG2 4.38Å; K656-T658 HydrophobicContact CG-CG2 4.24Å
659K92.3Very high92.6Very high101 Ų10149.5 Ų49.544%0.43924%0.243SC..  trans-127.8145.2-179.5-60.9179.3178.4178.70107.6E783K659-E783 IonicContact NZ-OE1 2.68Å; K659-E783 PolarHBondContact NZ-OE1 3.27Å
660P94.9Very high92.9Very high16 Ų1647.5 Ų47.510%0.10423%0.233CC..PPolyproline II helixtrans-59.4151.5172.420.6-28.6000110.5V107 P202 W628 R748V107-P660 HydrophobicContact CG1-CB 4.18Å; P202-P660 HydrophobicContact CB-CB 3.87Å; P202-P660 HydrophobicContact CB-CG 3.65Å; P202-P660 HydrophobicContact CG-CB 4.3Å; P202-P660 HydrophobicContact CG-CG 3.72Å; W628-P660 HydrophobicContact CD2-CB 3.82Å; W628-P660 HydrophobicContact CD2-CG 4.2Å; W628-P660 HydrophobicContact CE3-CB 3.57Å; W628-P660 HydrophobicContact CE3-CG 4.36Å; W628-P660 HydrophobicContact CG-CB 4.42Å; W628-P660 HydrophobicContact CH2-CB 4.31Å; W628-P660 HydrophobicContact CZ2-CG 4.39Å; W628-P660 HydrophobicContact CZ3-CB 3.84Å; P660-R748 PolarHBondContact O-NE 3.21Å; P660-R748 PolarHBondContact O-NH2 2.87Å
661F95.3Very high93.2Very high14 Ų1441.8 Ų41.86%0.06120%0.202CC..PPolyproline II helixtrans-57158.5169.3-80.818.1000110.8V107 M113 E665 E724 L727V107-F661 HydrophobicContact CG1-CB 3.94Å; V107-F661 WeakPolarHBondContact CG1-O 3.43Å; M113-F661 HydrophobicContact CE-CD2 3.65Å; M113-F661 HydrophobicContact CE-CE2 3.83Å; M113-F661 HydrophobicContact CE-CG 4.37Å; F661-E665 HydrophobicContact CB-CB 4.02Å; F661-E665 HydrophobicContact CD2-CB 3.91Å; F661-E665 HydrophobicContact CG-CB 4.18Å; F661-E724 HydrophobicContact CE1-CG 3.86Å; F661-E724 HydrophobicContact CZ-CB 4.17Å; F661-E724 HydrophobicContact CZ-CG 3.71Å; F661-L727 HydrophobicContact CE2-CD2 4.17Å
662R94.9Very high93.4Very high81 Ų8139.2 Ų39.231%0.30619%0.187SC..PPolyproline II helixtrans-73.1154.6163.7-58.3-171.9176.8-149.41.1109.3L664 E665 Q666 N746 E782R662-L664 VanDerWaalsContact C-N 3.32Å; R662-L664 PolarHBondContact O-N 3.17Å; R662-E665 HydrophobicContact CB-CG 4.22Å; R662-E665 WeakPolarHBondContact CB-OE1 3.33Å; R662-E665 WeakPolarHBondContact CD-OE1 3.3Å; R662-E665 WeakPolarHBondContact CG-OE1 3.3Å; R662-E665 PolarHBondContact N-OE2 2.93Å; R662-E665 WeakPolarHBondContact O-CB 3.25Å; R662-E665 PolarHBondContact O-N 3.37Å; R662-Q666 PolarHBondContact O-N 3.32Å; R662-Q666 VanDerWaalsContact O-N 3.08Å; R662-N746 WeakPolarHBondContact CB-OD1 3.32Å; R662-E782 IonicContact NH1-OE2 3.8Å; R662-E782 IonicContact NH2-OE2 2.97Å; R662-E782 PolarHBondContact NH2-OE2 3.29Å
663P96.2Very high93.8Very high2 Ų236.8 Ų36.81%0.01318%0.176CC..Hα-helixtrans-51.7-42.8-174.1-29.635.8000115V107 G164 Q666 L667V107-P663 HydrophobicContact CG2-CB 4.36Å; V107-P663 HydrophobicContact CG2-CG 4.2Å; G164-P663 VanDerWaalsContact CA-CB 3.49Å; P663-Q666 WeakPolarHBondContact O-CB 3.44Å; P663-Q666 PolarHBondContact O-N 3.43Å; P663-L667 PolarHBondContact O-N 2.95Å; P663-L667 VanDerWaalsContact O-N 3.16Å
664L97.2Very high93.9Very high1 Ų140 Ų401%0.00520%0.195CC..Hα-helixtrans-72.8-29.8179.8-54.6179.4000112.9G164 R662 Q666 L667 M668 P680 W683 L738 N746G164-L664 VanDerWaalsContact O-CD2 3.3Å; G164-L664 WeakPolarHBondContact O-CD2 3.43Å; R662-L664 VanDerWaalsContact C-N 3.32Å; R662-L664 PolarHBondContact O-N 3.17Å; L664-Q666 VanDerWaalsContact C-N 3.33Å; L664-L667 HydrophobicContact CD2-CD1 4.1Å; L664-L667 PolarHBondContact O-N 3.05Å; L664-M668 WeakPolarHBondContact O-CG 3.24Å; L664-M668 PolarHBondContact O-N 2.82Å; L664-P680 HydrophobicContact CD1-CG 3.8Å; L664-P680 HydrophobicContact CD2-CG 4.33Å; L664-W683 HydrophobicContact CB-CE3 4.37Å; L664-W683 HydrophobicContact CB-CH2 3.88Å; L664-W683 HydrophobicContact CB-CZ3 3.45Å; L664-W683 VanDerWaalsContact CB-CZ3 3.45Å; L664-W683 HydrophobicContact CD1-CH2 4.49Å; L664-L738 HydrophobicContact CD1-CD1 4.14Å; L664-L738 HydrophobicContact CD1-CD2 4.44Å; L664-N746 WeakPolarHBondContact CB-OD1 3.34Å; L664-N746 HydrophobicContact CD1-CB 3.64Å; L664-N746 HydrophobicContact CG-CB 3.8Å; L664-N746 WeakPolarHBondContact CG-OD1 3.39Å; L664-N746 PolarHBondContact N-OD1 3.49Å
665E97.1Very high94.2Very high13 Ų1337.1 Ų37.16%0.06118%0.175CC..Hα-helixtrans-68-36.3174-62.6157-16400110.8F661 R662 S669 L728 L731 R735F661-E665 HydrophobicContact CB-CB 4.02Å; F661-E665 HydrophobicContact CD2-CB 3.91Å; F661-E665 HydrophobicContact CG-CB 4.18Å; R662-E665 HydrophobicContact CB-CG 4.22Å; R662-E665 WeakPolarHBondContact CB-OE1 3.33Å; R662-E665 WeakPolarHBondContact CD-OE1 3.3Å; R662-E665 WeakPolarHBondContact CG-OE1 3.3Å; R662-E665 PolarHBondContact N-OE2 2.93Å; R662-E665 WeakPolarHBondContact O-CB 3.25Å; R662-E665 PolarHBondContact O-N 3.37Å; E665-S669 PolarHBondContact O-N 3.28Å; E665-S669 PolarHBondContact O-OG 3.2Å; E665-L728 HydrophobicContact CB-CD2 4.3Å; E665-L728 HydrophobicContact CG-CD2 3.84Å; E665-L731 HydrophobicContact CB-CD1 4.32Å; E665-L731 HydrophobicContact CG-CD1 4.05Å; E665-R735 IonicContact OE1-CZ 3.48Å; E665-R735 IonicContact OE1-NH1 3.75Å; E665-R735 PolarHBondContact OE1-NH1 3.25Å; E665-R735 IonicContact OE1-NH2 3.84Å; E665-R735 PolarHBondContact OE1-NH2 3Å
666Q96.9Very high94.7Very high0 Ų036.2 Ų36.20%017%0.168CC..Hα-helixtrans-61.2-49.2169.9-178.1175.1-100.700110.4V107 M113 R662 P663 L664 M668 S669 V670V107-Q666 HydrophobicContact CG1-CB 4.17Å; V107-Q666 HydrophobicContact CG2-CB 4.22Å; M113-Q666 HydrophobicContact CE-CB 4.48Å; M113-Q666 HydrophobicContact CE-CG 4.14Å; R662-Q666 PolarHBondContact O-N 3.32Å; R662-Q666 VanDerWaalsContact O-N 3.08Å; P663-Q666 WeakPolarHBondContact O-CB 3.44Å; P663-Q666 PolarHBondContact O-N 3.43Å; L664-Q666 VanDerWaalsContact C-N 3.33Å; Q666-M668 VanDerWaalsContact C-N 3.32Å; Q666-M668 PolarHBondContact O-N 3.47Å; Q666-S669 WeakPolarHBondContact CA-OG 3.43Å; Q666-S669 PolarHBondContact O-N 3.33Å; Q666-S669 PolarHBondContact O-OG 3.05Å; Q666-V670 HydrophobicContact CG-CG1 4.07Å; Q666-V670 HydrophobicContact CG-CG2 4.38Å; Q666-V670 WeakPolarHBondContact O-CG2 3.27Å; Q666-V670 PolarHBondContact O-N 2.64Å; Q666-V670 VanDerWaalsContact O-N 3.09Å
667L97.2Very high95Very high1 Ų134.2 Ų34.21%0.00517%0.17CC..Hα-helixtrans-51.2-51-179.1-65.2-166.8000112.4T162 P163 G164 T165 P663 L664 S669 V670 F671 V679T162-L667 HydrophobicContact CG2-CD2 3.31Å; P163-L667 WeakPolarHBondContact O-CD2 3.19Å; G164-L667 WeakPolarHBondContact O-CD1 3.42Å; T165-L667 HydrophobicContact CG2-CD1 4.17Å; T165-L667 HydrophobicContact CG2-CD2 3.99Å; P663-L667 PolarHBondContact O-N 2.95Å; P663-L667 VanDerWaalsContact O-N 3.16Å; L664-L667 HydrophobicContact CD2-CD1 4.1Å; L664-L667 PolarHBondContact O-N 3.05Å; L667-S669 PolarHBondContact O-N 3.3Å; L667-V670 PolarHBondContact O-N 2.88Å; L667-F671 HydrophobicContact CB-CD2 4.02Å; L667-F671 HydrophobicContact CB-CE2 3.99Å; L667-F671 HydrophobicContact CD1-CE2 3.98Å; L667-F671 HydrophobicContact CD2-CD2 4.35Å; L667-F671 HydrophobicContact CD2-CE2 3.62Å; L667-F671 HydrophobicContact CD2-CZ 3.74Å; L667-F671 HydrophobicContact CG-CE2 4.07Å; L667-F671 WeakPolarHBondContact O-CB 3.32Å; L667-F671 PolarHBondContact O-N 3.23Å; L667-V679 HydrophobicContact CB-CG1 3.93Å; L667-V679 HydrophobicContact CD1-CG1 4.17Å
668M97.7Very high95.4Very high0 Ų029.2 Ų29.20%015%0.146CC..Hα-helixtrans-62.4-29179.9-63.3-62.7-6600112.9L664 Q666 V679 W683 L686 M687 Y698 L727 L731L664-M668 WeakPolarHBondContact O-CG 3.24Å; L664-M668 PolarHBondContact O-N 2.82Å; Q666-M668 VanDerWaalsContact C-N 3.32Å; Q666-M668 PolarHBondContact O-N 3.47Å; M668-V679 HydrophobicContact SD-CB 3.98Å; M668-V679 HydrophobicContact SD-CG1 3.95Å; M668-V679 HydrophobicContact SD-CG2 3.86Å; M668-W683 HydrophobicContact CE-CB 4.2Å; M668-W683 HydrophobicContact CG-CE3 3.63Å; M668-W683 HydrophobicContact CG-CZ3 3.98Å; M668-W683 HydrophobicContact SD-CB 4.11Å; M668-W683 HydrophobicContact SD-CE3 4.03Å; M668-L686 HydrophobicContact CE-CB 4.1Å; M668-L686 HydrophobicContact CE-CD1 4.38Å; M668-M687 HydrophobicContact CE-CG 3.73Å; M668-M687 HydrophobicContact CE-SD 4.26Å; M668-M687 HydrophobicContact SD-CG 4.42Å; M668-M687 HydrophobicContact SD-SD 4.16Å; M668-Y698 WeakPolarHBondContact O-CE1 3.39Å; M668-Y698 PolarHBondContact O-OH 3.44Å; M668-L727 HydrophobicContact CB-CD1 4.03Å; M668-L731 HydrophobicContact CB-CD1 4.21Å; M668-L731 HydrophobicContact CB-CD2 4.37Å; M668-L731 HydrophobicContact CE-CD2 4.02Å; M668-L731 HydrophobicContact CG-CD1 4.11Å; M668-L731 HydrophobicContact CG-CD2 3.82Å
669S97.1Very high95.5Very high1 Ų128.1 Ų28.11%0.00714%0.139CC..Hα-helixtrans-89.3-7.9179.248.50000114.7M113 R117 E665 Q666 L667M113-S669 WeakPolarHBondContact CE-OG 3.5Å; R117-S669 WeakPolarHBondContact CD-O 3.3Å; E665-S669 PolarHBondContact O-N 3.28Å; E665-S669 PolarHBondContact O-OG 3.2Å; Q666-S669 WeakPolarHBondContact CA-OG 3.43Å; Q666-S669 PolarHBondContact O-N 3.33Å; Q666-S669 PolarHBondContact O-OG 3.05Å; L667-S669 PolarHBondContact O-N 3.3Å
670V97.1Very high95.7Very high0 Ų023.3 Ų23.30%012%0.119CC..Hα-helixtrans-120.5-22.8-179.1-55.50000115.3M113 R117 R120 T162 Q666 L667M113-V670 HydrophobicContact CB-CG1 4.07Å; M113-V670 HydrophobicContact CE-CG1 4.39Å; M113-V670 HydrophobicContact CG-CG1 4.42Å; R117-V670 WeakPolarHBondContact CA-O 3.23Å; R117-V670 HydrophobicContact CB-CB 4.38Å; R120-V670 WeakPolarHBondContact CD-O 3.4Å; R120-V670 VanDerWaalsContact NH1-CG2 3.29Å; T162-V670 HydrophobicContact CG2-CG2 4.47Å; Q666-V670 HydrophobicContact CG-CG1 4.07Å; Q666-V670 HydrophobicContact CG-CG2 4.38Å; Q666-V670 WeakPolarHBondContact O-CG2 3.27Å; Q666-V670 PolarHBondContact O-N 2.64Å; Q666-V670 VanDerWaalsContact O-N 3.09Å; L667-V670 PolarHBondContact O-N 2.88Å
671F96.6Very high95.8Very high0 Ų027 Ų270%014%0.143CC..  trans-83.6144.1-177.7-75.5-28.9000114.1R120 F121 N159 T165 L667 H678 V679 M687R120-F671 VanDerWaalsContact NH1-CD1 3.35Å; F121-F671 VanDerWaalsContact CE2-C 3.5Å; F121-F671 WeakPolarHBondContact CE2-O 3.38Å; N159-F671 HydrophobicContact CB-CD1 4.09Å; N159-F671 HydrophobicContact CB-CE1 3.62Å; N159-F671 HydrophobicContact CB-CZ 4.43Å; N159-F671 WeakPolarHBondContact O-CE1 3.4Å; N159-F671 VanDerWaalsContact O-CZ 3.27Å; N159-F671 WeakPolarHBondContact O-CZ 3.44Å; T165-F671 HydrophobicContact CG2-CE2 4.41Å; T165-F671 HydrophobicContact CG2-CZ 4Å; L667-F671 HydrophobicContact CB-CD2 4.02Å; L667-F671 HydrophobicContact CB-CE2 3.99Å; L667-F671 HydrophobicContact CD1-CE2 3.98Å; L667-F671 HydrophobicContact CD2-CD2 4.35Å; L667-F671 HydrophobicContact CD2-CE2 3.62Å; L667-F671 HydrophobicContact CD2-CZ 3.74Å; L667-F671 HydrophobicContact CG-CE2 4.07Å; L667-F671 WeakPolarHBondContact O-CB 3.32Å; L667-F671 PolarHBondContact O-N 3.23Å; F671-H678 HydrophobicContact CE2-CB 3.72Å; F671-H678 HydrophobicContact CZ-CB 4.14Å; F671-V679 HydrophobicContact CD2-CG1 3.76Å; F671-V679 HydrophobicContact CE2-CG1 4.15Å; F671-M687 HydrophobicContact CB-CE 3.94Å; F671-M687 WeakPolarHBondContact O-CE 3.39Å
672P95.7Very high95.8Very high3 Ų327.5 Ų27.52%0.01915%0.149CC..  trans-72.1160.4159.232.8-33.5000110.7F121 A124 D674 S675 M687F121-P672 HydrophobicContact CD1-CB 3.99Å; F121-P672 HydrophobicContact CD2-CB 4.01Å; F121-P672 HydrophobicContact CE1-CB 4.06Å; F121-P672 HydrophobicContact CE2-CB 4.09Å; F121-P672 HydrophobicContact CG-CB 3.98Å; F121-P672 HydrophobicContact CZ-CB 4.12Å; A124-P672 HydrophobicContact CB-CB 4.22Å; A124-P672 HydrophobicContact CB-CG 3.68Å; P672-D674 PolarHBondContact O-N 3.35Å; P672-S675 PolarHBondContact O-N 2.74Å; P672-S675 VanDerWaalsContact O-N 3.1Å; P672-M687 WeakPolarHBondContact O-CE 3.37Å
673A95.3Very high95.9Very high17 Ų1723.6 Ų23.614%0.1414%0.135CC..G310 helixtrans-59.1-28.6178.800000113.4S675 R676 M687 T688A673-S675 PolarHBondContact O-N 2.66Å; A673-R676 VanDerWaalsContact O-CB 3.29Å; A673-R676 WeakPolarHBondContact O-CB 3.27Å; A673-R676 WeakPolarHBondContact O-CD 2.98Å; A673-R676 VanDerWaalsContact O-CG 3.24Å; A673-R676 WeakPolarHBondContact O-CG 3.48Å; A673-R676 PolarHBondContact O-N 2.97Å; A673-M687 HydrophobicContact CB-CB 4.28Å; A673-M687 WeakPolarHBondContact CB-O 3.15Å; A673-T688 HydrophobicContact CB-CG2 4.01Å
674D91.7Very high96Very high105 Ų10525.8 Ų25.856%0.56115%0.145SC*.G310 helixtrans-62-28.4177.1-52.8-87000112.9A124 P672A124-D674 HydrophobicContact CB-CB 4.48Å; P672-D674 PolarHBondContact O-N 3.35Å
675S93.6Very high96Very high4 Ų428.2 Ų28.23%0.02816%0.158CC..G310 helixtrans-95.418.3177.7-71.40000113.8D157 N159 P672 A673 S677 H678D157-S675 WeakPolarHBondContact OD2-CB 3.17Å; D157-S675 PolarHBondContact OD2-OG 3.34Å; N159-S675 PolarHBondContact ND2-OG 2.71Å; P672-S675 PolarHBondContact O-N 2.74Å; P672-S675 VanDerWaalsContact O-N 3.1Å; A673-S675 PolarHBondContact O-N 2.66Å; S675-S677 PolarHBondContact O-N 3.35Å; S675-S677 VanDerWaalsContact O-N 3.12Å; S675-H678 PolarHBondContact O-CD2 3.19Å; S675-H678 PolarHBondContact O-N 2.76Å
676R94.8Very high96Very high108 Ų10827.7 Ų27.741%0.40816%0.155SC..G310 helixtrans-59.9-20.2179.269.1-173.6176.6155.93.6114.4A673 H678 V679 Q684 M687 T688A673-R676 VanDerWaalsContact O-CB 3.29Å; A673-R676 WeakPolarHBondContact O-CB 3.27Å; A673-R676 WeakPolarHBondContact O-CD 2.98Å; A673-R676 VanDerWaalsContact O-CG 3.24Å; A673-R676 WeakPolarHBondContact O-CG 3.48Å; A673-R676 PolarHBondContact O-N 2.97Å; R676-H678 PolarHBondContact O-N 3.09Å; R676-H678 VanDerWaalsContact O-N 3.09Å; R676-V679 WeakPolarHBondContact O-CG2 3.34Å; R676-V679 PolarHBondContact O-N 3.02Å; R676-V679 VanDerWaalsContact O-N 3.08Å; R676-Q684 HydrophobicContact CB-CB 4.41Å; R676-Q684 HydrophobicContact CB-CG 4.3Å; R676-Q684 WeakPolarHBondContact O-CG 3.41Å; R676-Q684 PolarHBondContact O-NE2 2.99Å; R676-M687 HydrophobicContact CB-SD 3.77Å; R676-T688 PolarHBondContact NH1-OG1 2.95Å
677S94Very high96Very high82 Ų8227.8 Ų27.857%0.57316%0.156SC*.G310 helixtrans-57.8-22.1176.550.40000114S675S675-S677 PolarHBondContact O-N 3.35Å; S675-S677 VanDerWaalsContact O-N 3.12Å
678H94.4Very high96Very high36 Ų3630.5 Ų30.517%0.16717%0.172CC..G310 helixtrans-91.5-6.2179.3-53-66.8000114.5D157 C160 T165 F671 S675 R676D157-H678 IonicContact OD2-CD2 2.72Å; D157-H678 PolarHBondContact OD2-CD2 2.92Å; D157-H678 IonicContact OD2-NE2 3.61Å; D157-H678 PolarHBondContact OD2-NE2 3.14Å; C160-H678 VanDerWaalsContact CB-CE1 3.49Å; C160-H678 WeakPolarHBondContact CB-CE1 3.44Å; T165-H678 HydrophobicContact CG2-CB 4.08Å; F671-H678 HydrophobicContact CE2-CB 3.72Å; F671-H678 HydrophobicContact CZ-CB 4.14Å; S675-H678 PolarHBondContact O-CD2 3.19Å; S675-H678 PolarHBondContact O-N 2.76Å; R676-H678 PolarHBondContact O-N 3.09Å; R676-H678 VanDerWaalsContact O-N 3.09Å
679V95.7Very high95.9Very high5 Ų533.2 Ų33.23%0.0319%0.187CC..SBendtrans-99.6156.4175.1-46.50000110.9L667 M668 F671 R676 Q684 M687L667-V679 HydrophobicContact CB-CG1 3.93Å; L667-V679 HydrophobicContact CD1-CG1 4.17Å; M668-V679 HydrophobicContact SD-CB 3.98Å; M668-V679 HydrophobicContact SD-CG1 3.95Å; M668-V679 HydrophobicContact SD-CG2 3.86Å; F671-V679 HydrophobicContact CD2-CG1 3.76Å; F671-V679 HydrophobicContact CE2-CG1 4.15Å; R676-V679 WeakPolarHBondContact O-CG2 3.34Å; R676-V679 PolarHBondContact O-N 3.02Å; R676-V679 VanDerWaalsContact O-N 3.08Å; V679-Q684 HydrophobicContact CG2-CB 4.49Å; V679-Q684 HydrophobicContact CG2-CG 3.66Å; V679-Q684 PolarHBondContact O-NE2 3.21Å; V679-M687 HydrophobicContact CG1-SD 4.46Å; V679-M687 HydrophobicContact CG2-SD 4.01Å
680P97Very high95.9Very high1 Ų138.2 Ų38.21%0.00622%0.219CC..  trans-51.8135.9179.7-29.336.1000112.9L664 A682 W683 Q684 L738 E742L664-P680 HydrophobicContact CD1-CG 3.8Å; L664-P680 HydrophobicContact CD2-CG 4.33Å; P680-A682 PolarHBondContact O-N 3.42Å; P680-W683 HydrophobicContact CB-CG 4.43Å; P680-W683 HydrophobicContact CG-CD2 4.35Å; P680-W683 HydrophobicContact CG-CE3 4.26Å; P680-W683 PolarHBondContact O-N 2.88Å; P680-Q684 PolarHBondContact O-N 3.02Å; P680-L738 HydrophobicContact CB-CD2 3.49Å; P680-L738 VanDerWaalsContact CB-CD2 3.49Å; P680-L738 HydrophobicContact CG-CD2 3.55Å; P680-E742 WeakPolarHBondContact CA-OE1 3.45Å; P680-E742 WeakPolarHBondContact CB-OE1 3.44Å; P680-E742 HydrophobicContact CG-CG 4.34Å
681P96.5Very high95.9Very high93 Ų9345.3 Ų45.360%0.60426%0.257SS*.Hα-helixtrans-51.4-34.1178.8-29.836.6000113.9W683 Q684 E742P681-W683 PolarHBondContact O-N 3.26Å; P681-W683 VanDerWaalsContact O-N 3.16Å; P681-Q684 PolarHBondContact O-N 2.88Å; P681-E742 VanDerWaalsContact CD-OE1 3.28Å; P681-E742 WeakPolarHBondContact CD-OE1 3.49Å
682A95.9Very high95.9Very high24 Ų2445.8 Ų45.820%0.19826%0.261CS..Hα-helixtrans-64.7-13.3176.600000115.1P680 R734 L737P680-A682 PolarHBondContact O-N 3.42Å; A682-R734 WeakPolarHBondContact O-CD 3.13Å; A682-R734 PolarHBondContact O-NH1 3.1Å; A682-L737 HydrophobicContact CB-CB 3.67Å; A682-L737 HydrophobicContact CB-CD1 4.29Å
683W97.3Very high95.9Very high0 Ų049.5 Ų49.50%028%0.284CS..Hα-helixtrans-117.3-9-177.5-63.6-0.6000113.1L664 M668 P680 P681 D685 L686 L731 R735 L738L664-W683 HydrophobicContact CB-CE3 4.37Å; L664-W683 HydrophobicContact CB-CH2 3.88Å; L664-W683 HydrophobicContact CB-CZ3 3.45Å; L664-W683 VanDerWaalsContact CB-CZ3 3.45Å; L664-W683 HydrophobicContact CD1-CH2 4.49Å; M668-W683 HydrophobicContact CE-CB 4.2Å; M668-W683 HydrophobicContact CG-CE3 3.63Å; M668-W683 HydrophobicContact CG-CZ3 3.98Å; M668-W683 HydrophobicContact SD-CB 4.11Å; M668-W683 HydrophobicContact SD-CE3 4.03Å; P680-W683 HydrophobicContact CB-CG 4.43Å; P680-W683 HydrophobicContact CG-CD2 4.35Å; P680-W683 HydrophobicContact CG-CE3 4.26Å; P680-W683 PolarHBondContact O-N 2.88Å; P681-W683 PolarHBondContact O-N 3.26Å; P681-W683 VanDerWaalsContact O-N 3.16Å; W683-D685 PolarHBondContact O-N 3.14Å; W683-L686 HydrophobicContact CB-CD1 4.41Å; W683-L686 WeakPolarHBondContact O-CB 3.25Å; W683-L686 PolarHBondContact O-N 3.12Å; W683-L731 HydrophobicContact CD2-CD2 3.86Å; W683-L731 HydrophobicContact CE3-CD1 4.48Å; W683-L731 HydrophobicContact CE3-CD2 3.79Å; W683-L731 HydrophobicContact CG-CD2 4.32Å; W683-L731 HydrophobicContact CH2-CB 4.13Å; W683-L731 HydrophobicContact CH2-CD1 4.11Å; W683-L731 HydrophobicContact CH2-CD2 4.41Å; W683-L731 HydrophobicContact CH2-CG 4.43Å; W683-L731 HydrophobicContact CZ2-CB 4.04Å; W683-L731 HydrophobicContact CZ2-CD2 4.5Å; W683-L731 HydrophobicContact CZ3-CD1 3.92Å; W683-L731 HydrophobicContact CZ3-CD2 4.04Å; W683-L731 HydrophobicContact CZ3-CG 4.39Å; W683-R735 HydrophobicContact CZ2-CG 4.1Å; W683-L738 HydrophobicContact CD2-CD2 4.49Å; W683-L738 HydrophobicContact CH2-CD1 4.47Å; W683-L738 HydrophobicContact CZ2-CD1 3.94Å; W683-L738 HydrophobicContact CZ2-CD2 4.15Å; W683-L738 HydrophobicContact CZ2-CG 4.36Å
684Q97.5Very high96Very high48 Ų4848.7 Ų48.722%0.22428%0.278CS..Hα-helixtrans-65.6-36.3-173.2-71.1-178.68.900113.5R676 V679 P680 P681 L686 M687R676-Q684 HydrophobicContact CB-CB 4.41Å; R676-Q684 HydrophobicContact CB-CG 4.3Å; R676-Q684 WeakPolarHBondContact O-CG 3.41Å; R676-Q684 PolarHBondContact O-NE2 2.99Å; V679-Q684 HydrophobicContact CG2-CB 4.49Å; V679-Q684 HydrophobicContact CG2-CG 3.66Å; V679-Q684 PolarHBondContact O-NE2 3.21Å; P680-Q684 PolarHBondContact O-N 3.02Å; P681-Q684 PolarHBondContact O-N 2.88Å; Q684-L686 VanDerWaalsContact C-N 3.3Å; Q684-L686 PolarHBondContact O-N 2.83Å; Q684-M687 PolarHBondContact O-N 2.64Å
685D96.7Very high96.3Very high52 Ų5246.1 Ų46.128%0.27826%0.264SS..G310 helixtrans-66.6-28.717662.6-49.5000112.3W683 M687 T688 D689 R734W683-D685 PolarHBondContact O-N 3.14Å; D685-M687 PolarHBondContact O-N 2.71Å; D685-T688 PolarHBondContact O-N 2.95Å; D685-D689 WeakPolarHBondContact O-CB 3.5Å; D685-D689 PolarHBondContact O-N 2.72Å; D685-R734 IonicContact OD1-CZ 3.75Å; D685-R734 IonicContact OD1-NH1 3.79Å; D685-R734 PolarHBondContact OD1-NH1 3.01Å; D685-R734 IonicContact OD1-NH2 3.99Å; D685-R734 IonicContact OD2-CZ 3.21Å; D685-R734 IonicContact OD2-NH1 2.84Å; D685-R734 PolarHBondContact OD2-NH1 2.96Å; D685-R734 IonicContact OD2-NH2 2.74Å; D685-R734 PolarHBondContact OD2-NH2 2.87Å
686L97.4Very high96.4Very high2 Ų249.9 Ų49.91%0.0128%0.284CS..G310 helixtrans-58.6-20.2173.8-65.8174.7000113.3M668 W683 Q684 S692 I694 L731M668-L686 HydrophobicContact CE-CB 4.1Å; M668-L686 HydrophobicContact CE-CD1 4.38Å; W683-L686 HydrophobicContact CB-CD1 4.41Å; W683-L686 WeakPolarHBondContact O-CB 3.25Å; W683-L686 PolarHBondContact O-N 3.12Å; Q684-L686 VanDerWaalsContact C-N 3.3Å; Q684-L686 PolarHBondContact O-N 2.83Å; L686-S692 WeakPolarHBondContact CA-OG 3.42Å; L686-S692 WeakPolarHBondContact O-CB 3.26Å; L686-S692 PolarHBondContact O-OG 2.81Å; L686-I694 HydrophobicContact CB-CD1 4.16Å; L686-I694 HydrophobicContact CB-CG1 4.36Å; L686-I694 HydrophobicContact CD1-CD1 4.47Å; L686-L731 HydrophobicContact CD1-CD2 3.87Å
687M97.6Very high96.5Very high2 Ų244.9 Ų44.91%0.0127%0.265CS..G310 helixtrans-93.5-10.4177.8-52.1178.978.800113.9M668 F671 P672 A673 R676 V679 Q684 D685 Y698M668-M687 HydrophobicContact CE-CG 3.73Å; M668-M687 HydrophobicContact CE-SD 4.26Å; M668-M687 HydrophobicContact SD-CG 4.42Å; M668-M687 HydrophobicContact SD-SD 4.16Å; F671-M687 HydrophobicContact CB-CE 3.94Å; F671-M687 WeakPolarHBondContact O-CE 3.39Å; P672-M687 WeakPolarHBondContact O-CE 3.37Å; A673-M687 HydrophobicContact CB-CB 4.28Å; A673-M687 WeakPolarHBondContact CB-O 3.15Å; R676-M687 HydrophobicContact CB-SD 3.77Å; V679-M687 HydrophobicContact CG1-SD 4.46Å; V679-M687 HydrophobicContact CG2-SD 4.01Å; Q684-M687 PolarHBondContact O-N 2.64Å; D685-M687 PolarHBondContact O-N 2.71Å; M687-Y698 HydrophobicContact CB-CD1 4.34Å; M687-Y698 HydrophobicContact CB-CD2 4.22Å; M687-Y698 HydrophobicContact CB-CE1 4.47Å; M687-Y698 HydrophobicContact CB-CE2 4.33Å; M687-Y698 HydrophobicContact CB-CG 4.21Å; M687-Y698 HydrophobicContact CE-CD1 3.75Å; M687-Y698 HydrophobicContact CE-CE1 3.53Å; M687-Y698 HydrophobicContact CG-CD1 4.34Å; M687-Y698 HydrophobicContact CG-CE1 3.99Å; M687-Y698 HydrophobicContact CG-CE2 4.15Å
688T96.6Very high96.7Very high57 Ų5741.4 Ų41.435%0.3524%0.239SC..THydrogen-bonded Turntrans-137.8-18.9-170.553.40000115.9A673 R676 D685 P690A673-T688 HydrophobicContact CB-CG2 4.01Å; R676-T688 PolarHBondContact NH1-OG1 2.95Å; D685-T688 PolarHBondContact O-N 2.95Å; T688-P690 WeakPolarHBondContact O-CD 3.46Å
689D96.5Very high96.7Very high58 Ų5841.7 Ų41.731%0.3124%0.244SC..  trans-73.9121.4175.3-174.1-11.4000109.7D685 D691 S692 I695D685-D689 WeakPolarHBondContact O-CB 3.5Å; D685-D689 PolarHBondContact O-N 2.72Å; D689-D691 PolarHBondContact O-N 3.1Å; D689-D691 VanDerWaalsContact O-N 3.16Å; D689-D691 PolarHBondContact OD1-N 3.2Å; D689-S692 WeakPolarHBondContact O-CB 3.42Å; D689-S692 PolarHBondContact O-N 3.29Å; D689-I695 WeakPolarHBondContact O-CD1 3.48Å; D689-I695 WeakPolarHBondContact O-CG1 3.35Å
690P95.9Very high96.3Very high106 Ų10647.6 Ų47.669%0.68828%0.28SS*.THydrogen-bonded Turntrans-54.4-27174.3-26.236.3000114.6T688 S692T688-P690 WeakPolarHBondContact O-CD 3.46Å; P690-S692 VanDerWaalsContact C-N 3.35Å
691D96.6Very high95.8Very high149 Ų14953.5 Ų53.580%0.79731%0.312SS*.THydrogen-bonded Turntrans-89.11.2180-68.1-31.3000113D689D689-D691 PolarHBondContact O-N 3.1Å; D689-D691 VanDerWaalsContact O-N 3.16Å; D689-D691 PolarHBondContact OD1-N 3.2Å
692S96.7Very high95.5Very high10 Ų1050.1 Ų50.17%0.0729%0.288CS..  trans-64.3134.1177.1168.10000111.7L686 D689 P690 I694 I695L686-S692 WeakPolarHBondContact CA-OG 3.42Å; L686-S692 WeakPolarHBondContact O-CB 3.26Å; L686-S692 PolarHBondContact O-OG 2.81Å; D689-S692 WeakPolarHBondContact O-CB 3.42Å; D689-S692 PolarHBondContact O-N 3.29Å; P690-S692 VanDerWaalsContact C-N 3.35Å; S692-I694 PolarHBondContact O-N 2.76Å; S692-I694 WeakPolarHBondContact OG-CG1 3.16Å; S692-I694 PolarHBondContact OG-N 2.93Å; S692-I695 WeakPolarHBondContact O-CG2 3.12Å; S692-I695 PolarHBondContact O-N 3.18Å; S692-I695 VanDerWaalsContact O-N 3.14Å
693P96.9Very high95.2Very high80 Ų8055.2 Ų55.252%0.51931%0.305SS..THydrogen-bonded Turntrans-67.9-1.3-17931.1-38.2000114.3R726 A730P693-R726 PolarHBondContact O-NE 3.27Å; P693-A730 HydrophobicContact CG-CB 4.01Å
694I97.6Very high94.7Very high0 Ų056.9 Ų56.90%031%0.314CS..THydrogen-bonded Turntrans-133.115-179.558.6169.1000112.7L686 S692 D696 F697 Y698 R726 L727 A730L686-I694 HydrophobicContact CB-CD1 4.16Å; L686-I694 HydrophobicContact CB-CG1 4.36Å; L686-I694 HydrophobicContact CD1-CD1 4.47Å; S692-I694 PolarHBondContact O-N 2.76Å; S692-I694 WeakPolarHBondContact OG-CG1 3.16Å; S692-I694 PolarHBondContact OG-N 2.93Å; I694-D696 PolarHBondContact O-N 3.15Å; I694-F697 HydrophobicContact CB-CD2 3.62Å; I694-F697 HydrophobicContact CB-CE2 3.72Å; I694-F697 HydrophobicContact CB-CG 4.43Å; I694-F697 HydrophobicContact CG2-CD2 4Å; I694-F697 HydrophobicContact CG2-CE2 3.54Å; I694-F697 HydrophobicContact CG2-CZ 4.28Å; I694-F697 WeakPolarHBondContact O-CB 3.47Å; I694-F697 PolarHBondContact O-N 3.32Å; I694-Y698 HydrophobicContact CD1-CE2 4.15Å; I694-Y698 HydrophobicContact CG1-CE2 4.17Å; I694-Y698 WeakPolarHBondContact O-CD2 3.34Å; I694-Y698 WeakPolarHBondContact O-CE2 3.37Å; I694-R726 HydrophobicContact CG2-CG 4.1Å; I694-L727 HydrophobicContact CD1-CD1 3.73Å; I694-A730 HydrophobicContact CD1-CB 4.09Å; I694-A730 HydrophobicContact CG1-CB 4.37Å; I694-A730 HydrophobicContact CG2-CB 4.08Å
695I97.4Very high94.1Very high52 Ų5255.5 Ų55.527%0.26731%0.308SS..G310 helixtrans-58.9-31.8-178-16955.1000113.1D689 S692 F697 Y698D689-I695 WeakPolarHBondContact O-CD1 3.48Å; D689-I695 WeakPolarHBondContact O-CG1 3.35Å; S692-I695 WeakPolarHBondContact O-CG2 3.12Å; S692-I695 PolarHBondContact O-N 3.18Å; S692-I695 VanDerWaalsContact O-N 3.14Å; I695-F697 PolarHBondContact O-N 3.26Å; I695-F697 VanDerWaalsContact O-N 3.14Å; I695-Y698 PolarHBondContact O-N 3.29Å
696D96.3Very high93.3Very high83 Ų8354.9 Ų54.944%0.44430%0.304SS..G310 helixtrans-66.1-12.2177.865.6-54.6000113.7I694 Y698 P720 R726I694-D696 PolarHBondContact O-N 3.15Å; D696-Y698 VanDerWaalsContact C-N 3.31Å; D696-P720 VanDerWaalsContact O-CG 3.25Å; D696-P720 WeakPolarHBondContact O-CG 3.47Å; D696-R726 IonicContact OD1-CZ 3.14Å; D696-R726 IonicContact OD1-NH2 3.63Å; D696-R726 PolarHBondContact OD1-NH2 3.13Å; D696-R726 IonicContact OD2-CZ 2.75Å; D696-R726 IonicContact OD2-NH2 2.81Å; D696-R726 PolarHBondContact OD2-NH2 2.68Å
697F97Very high92.4Very high3 Ų356.2 Ų56.21%0.01331%0.311CS..G310 helixtrans-77.5-14169.6-58.8-21.7000113.6R117 I694 I695 P699 V722 D723 R726 L727R117-F697 PolarHBondContact NH2-O 3.09Å; I694-F697 HydrophobicContact CB-CD2 3.62Å; I694-F697 HydrophobicContact CB-CE2 3.72Å; I694-F697 HydrophobicContact CB-CG 4.43Å; I694-F697 HydrophobicContact CG2-CD2 4Å; I694-F697 HydrophobicContact CG2-CE2 3.54Å; I694-F697 HydrophobicContact CG2-CZ 4.28Å; I694-F697 WeakPolarHBondContact O-CB 3.47Å; I694-F697 PolarHBondContact O-N 3.32Å; I695-F697 PolarHBondContact O-N 3.26Å; I695-F697 VanDerWaalsContact O-N 3.14Å; F697-P699 VanDerWaalsContact O-CD 3.28Å; F697-P699 WeakPolarHBondContact O-CD 3.43Å; F697-V722 HydrophobicContact CB-CG2 3.86Å; F697-V722 HydrophobicContact CD1-CG2 4.08Å; F697-V722 HydrophobicContact CD2-CB 4.28Å; F697-V722 HydrophobicContact CD2-CG1 4.1Å; F697-V722 HydrophobicContact CD2-CG2 3.69Å; F697-V722 HydrophobicContact CE2-CB 4.35Å; F697-V722 HydrophobicContact CE2-CG1 3.9Å; F697-V722 HydrophobicContact CE2-CG2 4.25Å; F697-V722 HydrophobicContact CG-CB 4.42Å; F697-V722 HydrophobicContact CG-CG2 3.61Å; F697-V722 HydrophobicContact CZ-CG1 4.34Å; F697-D723 HydrophobicContact CE1-CB 4.41Å; F697-D723 HydrophobicContact CZ-CB 3.88Å; F697-D723 VanDerWaalsContact CZ-N 3.27Å; F697-R726 HydrophobicContact CZ-CB 4.45Å; F697-L727 HydrophobicContact CE2-CB 4.31Å
698Y96.7Very high90.9Very high9 Ų959.5 Ų59.54%0.03535%0.346CS..SBendtrans-122.162.1-174.2-45.6-80.9000111.9F121 M668 M687 I694 I695 D696 T700F121-Y698 HydrophobicContact CZ-CD1 4.37Å; M668-Y698 WeakPolarHBondContact O-CE1 3.39Å; M668-Y698 PolarHBondContact O-OH 3.44Å; M687-Y698 HydrophobicContact CB-CD1 4.34Å; M687-Y698 HydrophobicContact CB-CD2 4.22Å; M687-Y698 HydrophobicContact CB-CE1 4.47Å; M687-Y698 HydrophobicContact CB-CE2 4.33Å; M687-Y698 HydrophobicContact CB-CG 4.21Å; M687-Y698 HydrophobicContact CE-CD1 3.75Å; M687-Y698 HydrophobicContact CE-CE1 3.53Å; M687-Y698 HydrophobicContact CG-CD1 4.34Å; M687-Y698 HydrophobicContact CG-CE1 3.99Å; M687-Y698 HydrophobicContact CG-CE2 4.15Å; I694-Y698 HydrophobicContact CD1-CE2 4.15Å; I694-Y698 HydrophobicContact CG1-CE2 4.17Å; I694-Y698 WeakPolarHBondContact O-CD2 3.34Å; I694-Y698 WeakPolarHBondContact O-CE2 3.37Å; I695-Y698 PolarHBondContact O-N 3.29Å; D696-Y698 VanDerWaalsContact C-N 3.31Å; Y698-T700 PolarHBondContact O-N 3.17Å
699P94.8Very high89.6Confident41 Ų4158.2 Ų58.227%0.26634%0.336SS..  trans-62.1136176.428.7-35.7000111F121 F697 D701 F702 L719F121-P699 HydrophobicContact CE1-CG 4.39Å; F697-P699 VanDerWaalsContact O-CD 3.28Å; F697-P699 WeakPolarHBondContact O-CD 3.43Å; P699-D701 VanDerWaalsContact C-N 3.34Å; P699-F702 HydrophobicContact CG-CB 4.45Å; P699-L719 HydrophobicContact CG-CD2 4.15Å
700T87.6Confident88Confident130 Ų13062.1 Ų62.180%0.79835%0.346SS*.SBendtrans-78.9-16.8178.749.30000113.9Y698Y698-T700 PolarHBondContact O-N 3.17Å
701D86.8Confident86.3Confident124 Ų12461.2 Ų61.266%0.66333%0.33SS*.SBendtrans-143.7140.7172.2-176.517.9000108.3P699P699-D701 VanDerWaalsContact C-N 3.34Å
702F90.4Very high84.7Confident22 Ų2257.4 Ų57.410%0.09631%0.309CS..  trans-148.4147-178.861.6-90.3000111.1F121 R122 Q125 P699 I704 A717 L719F121-F702 HydrophobicContact CB-CE1 3.87Å; F121-F702 HydrophobicContact CB-CZ 3.86Å; F121-F702 HydrophobicContact CD1-CD1 4.2Å; F121-F702 AromaticContact CD1-CE1 3.98Å; F121-F702 HydrophobicContact CD1-CE1 3.98Å; F121-F702 HydrophobicContact CG-CE1 4.45Å; R122-F702 HydrophobicContact CG-CE2 4.17Å; R122-F702 HydrophobicContact CG-CZ 4.29Å; Q125-F702 HydrophobicContact CB-CE1 4.38Å; Q125-F702 HydrophobicContact CB-CZ 4.24Å; P699-F702 HydrophobicContact CG-CB 4.45Å; F702-I704 HydrophobicContact CD2-CG1 4.39Å; F702-I704 HydrophobicContact CE2-CD1 4.37Å; F702-I704 HydrophobicContact CE2-CG1 3.98Å; F702-A717 HydrophobicContact CD2-CB 4.09Å; F702-A717 HydrophobicContact CE2-CB 3.74Å; F702-L719 HydrophobicContact CB-CD2 3.96Å; F702-L719 HydrophobicContact CD1-CD2 3.81Å; F702-L719 HydrophobicContact CD2-CD2 3.92Å; F702-L719 HydrophobicContact CD2-CG 4.5Å; F702-L719 HydrophobicContact CE1-CD2 4.32Å; F702-L719 HydrophobicContact CE2-CD2 4.42Å; F702-L719 HydrophobicContact CG-CD2 3.6Å
703K88.7Confident83.2Confident132 Ų13264.5 Ų64.557%0.57433%0.334SS*.PPolyproline II helixtrans-76.6132.1-178.4-173.3-176.9174.4-157.40111.2L718K703-L718 HydrophobicContact CB-CD1 4.36Å; K703-L718 HydrophobicContact CD-CD1 4.18Å; K703-L718 HydrophobicContact CG-CD1 4.41Å; K703-L718 WeakPolarHBondContact O-CB 3.45Å; K703-L718 PolarHBondContact O-N 2.9Å
704I86.3Confident81.9Confident34 Ų3463.5 Ų63.517%0.17432%0.323CS..EExtended strand (participates in β ladder)trans-97.4122.1162.1-59.8174.4000108R122 F702 L712 V716R122-I704 HydrophobicContact CG-CD1 4.13Å; F702-I704 HydrophobicContact CD2-CG1 4.39Å; F702-I704 HydrophobicContact CE2-CD1 4.37Å; F702-I704 HydrophobicContact CE2-CG1 3.98Å; I704-L712 HydrophobicContact CG2-CD2 4.39Å; I704-V716 WeakPolarHBondContact CA-O 3.41Å
705D86.5Confident81Confident20 Ų2063.8 Ų63.811%0.10733%0.326CS..EExtended strand (participates in β ladder)trans-93.9118170.6178.622.2000110.3K591 Y636 N707 G715 V716 L718K591-D705 IonicContact NZ-OD1 3.26Å; K591-D705 PolarHBondContact NZ-OD1 3.43Å; K591-D705 IonicContact NZ-OD2 2.74Å; K591-D705 PolarHBondContact NZ-OD2 3.37Å; Y636-D705 WeakPolarHBondContact CE1-OD2 3.24Å; Y636-D705 PolarHBondContact OH-OD2 3Å; Y636-D705 VanDerWaalsContact OH-OD2 3.06Å; D705-N707 PolarHBondContact O-N 3.3Å; D705-N707 PolarHBondContact OD1-N 3.16Å; D705-G715 CarbonylContact O-C 3.6Å; D705-G715 WeakPolarHBondContact O-CA 3.41Å; D705-V716 PolarHBondContact N-O 2.93Å; D705-V716 PolarHBondContact O-N 2.94Å; D705-L718 HydrophobicContact CB-CD1 4.39Å
706L79.1Confident80.5Confident38 Ų3863 Ų6320%0.19932%0.324CS..  trans-62.7-26.2176.9-74.4178.3000113.1L504 G708 K709 L712L504-L706 HydrophobicContact CD2-CD1 3.7Å; L706-G708 VanDerWaalsContact C-N 3.29Å; L706-G708 PolarHBondContact O-N 3.08Å; L706-K709 VanDerWaalsContact O-CB 3.28Å; L706-K709 WeakPolarHBondContact O-CB 3.47Å; L706-K709 WeakPolarHBondContact O-CG 3.35Å; L706-K709 PolarHBondContact O-N 3.24Å; L706-L712 HydrophobicContact CD2-CD2 4Å; L706-L712 HydrophobicContact CD2-CG 4.42Å
707N78.1Confident80.2Confident30 Ų3059.2 Ų59.216%0.1630%0.304CS..THydrogen-bonded Turntrans4648.1176.6-16335.7000114.1K591 D705 K709K591-N707 VanDerWaalsContact CE-OD1 3.23Å; K591-N707 WeakPolarHBondContact CE-OD1 3.2Å; K591-N707 PolarHBondContact NZ-OD1 3.34Å; D705-N707 PolarHBondContact O-N 3.3Å; D705-N707 PolarHBondContact OD1-N 3.16Å; N707-K709 VanDerWaalsContact C-N 3.28Å; N707-K709 PolarHBondContact O-N 2.96Å
708G66.7Low80Confident72 Ų7261.5 Ų61.574%0.74232%0.316SS*.THydrogen-bonded Turntrans77.30.9-178.300000115.6L706L706-G708 VanDerWaalsContact C-N 3.29Å; L706-G708 PolarHBondContact O-N 3.08Å
709K69.9Low79.9Confident30 Ų3061.5 Ų61.513%0.1332%0.317CS..  trans-90.8151.7177.7-48.8-51.6-172.7-163.40111.7H348 E353 L706 N707 M714H348-K709 VanDerWaalsContact NE2-CE 3.3Å; H348-K709 WeakPolarHBondContact NE2-CE 3.46Å; H348-K709 PolarHBondContact NE2-NZ 3.17Å; E353-K709 IonicContact OE1-NZ 2.65Å; E353-K709 PolarHBondContact OE1-NZ 3.17Å; L706-K709 VanDerWaalsContact O-CB 3.28Å; L706-K709 WeakPolarHBondContact O-CB 3.47Å; L706-K709 WeakPolarHBondContact O-CG 3.35Å; L706-K709 PolarHBondContact O-N 3.24Å; N707-K709 VanDerWaalsContact C-N 3.28Å; N707-K709 PolarHBondContact O-N 2.96Å; K709-M714 HydrophobicContact CB-CB 3.53Å; K709-M714 HydrophobicContact CB-CE 4.13Å; K709-M714 HydrophobicContact CB-CG 4.43Å; K709-M714 HydrophobicContact CB-SD 4.14Å; K709-M714 HydrophobicContact CD-CE 4.06Å; K709-M714 HydrophobicContact CG-CB 3.93Å; K709-M714 HydrophobicContact CG-CE 4.19Å
710R61.9Low79.9Confident140 Ų14061.6 Ų61.653%0.52832%0.317SS..SBendtrans-78-23.2-172.9-174.4173177-146.5-8.3115.3
711Y60.4Low80.3Confident87 Ų8758.2 Ų58.234%0.34129%0.292SS..SBendtrans-128.7143.7-171-56.8-75.1000111.7W713 M714Y711-W713 VanDerWaalsContact C-N 3.28Å; Y711-W713 VanDerWaalsContact CB-NE1 3.26Å; Y711-W713 HydrophobicContact CD2-CZ2 4.1Å; Y711-W713 AromaticContact CD2-NE1 3.98Å; Y711-W713 AromaticContact CG-NE1 3.63Å; Y711-W713 PolarHBondContact O-N 2.95Å; Y711-M714 HydrophobicContact CD2-SD 3.94Å; Y711-M714 WeakPolarHBondContact O-CA 3.27Å; Y711-M714 VanDerWaalsContact O-CB 3.32Å; Y711-M714 WeakPolarHBondContact O-CB 3.39Å; Y711-M714 PolarHBondContact O-N 3.14Å
712L62.8Low80.8Confident68 Ų6852.5 Ų52.536%0.35626%0.261SS..G310 helixtrans-55.9-37.9-177.8-71.3167000113.4I704 L706 M714 G715I704-L712 HydrophobicContact CG2-CD2 4.39Å; L706-L712 HydrophobicContact CD2-CD2 4Å; L706-L712 HydrophobicContact CD2-CG 4.42Å; L712-M714 PolarHBondContact O-N 2.93Å; L712-G715 WeakPolarHBondContact O-CA 3.32Å; L712-G715 PolarHBondContact O-N 3.38Å
713W65.3Low81.1Confident159 Ų15954.9 Ų54.960%0.60228%0.275SS*.G310 helixtrans-64.5-19.3176.465.1-100.4000114R122 Y711R122-W713 PolarHBondContact NH1-O 3.43Å; Y711-W713 VanDerWaalsContact C-N 3.28Å; Y711-W713 VanDerWaalsContact CB-NE1 3.26Å; Y711-W713 HydrophobicContact CD2-CZ2 4.1Å; Y711-W713 AromaticContact CD2-NE1 3.98Å; Y711-W713 AromaticContact CG-NE1 3.63Å; Y711-W713 PolarHBondContact O-N 2.95Å
714M69.4Low81.4Confident60 Ų6051.5 Ų51.530%0.29626%0.261SS..G310 helixtrans-87.7-10.5171.9-57.5-178.671.400113.2K709 Y711 L712K709-M714 HydrophobicContact CB-CB 3.53Å; K709-M714 HydrophobicContact CB-CE 4.13Å; K709-M714 HydrophobicContact CB-CG 4.43Å; K709-M714 HydrophobicContact CB-SD 4.14Å; K709-M714 HydrophobicContact CD-CE 4.06Å; K709-M714 HydrophobicContact CG-CB 3.93Å; K709-M714 HydrophobicContact CG-CE 4.19Å; Y711-M714 HydrophobicContact CD2-SD 3.94Å; Y711-M714 WeakPolarHBondContact O-CA 3.27Å; Y711-M714 VanDerWaalsContact O-CB 3.32Å; Y711-M714 WeakPolarHBondContact O-CB 3.39Å; Y711-M714 PolarHBondContact O-N 3.14Å; L712-M714 PolarHBondContact O-N 2.93Å
715G78.9Confident81.8Confident5 Ų555.2 Ų55.25%0.05229%0.285CS..SBendtrans-78.5164.2-179.300000113.7D705 L712D705-G715 CarbonylContact O-C 3.6Å; D705-G715 WeakPolarHBondContact O-CA 3.41Å; L712-G715 WeakPolarHBondContact O-CA 3.32Å; L712-G715 PolarHBondContact O-N 3.38Å
716V86.3Confident82.3Confident36 Ų3658.3 Ų58.322%0.21830%0.295CS..EExtended strand (participates in β ladder)trans-95115.9-177.8-175.50000109.5H635 Y636 I704 D705 L718H635-V716 HydrophobicContact CB-CG1 3.84Å; Y636-V716 HydrophobicContact CE1-CB 4.39Å; Y636-V716 HydrophobicContact CE1-CG1 4.46Å; Y636-V716 HydrophobicContact CE1-CG2 4.27Å; I704-V716 WeakPolarHBondContact CA-O 3.41Å; D705-V716 PolarHBondContact N-O 2.93Å; D705-V716 PolarHBondContact O-N 2.94Å; V716-L718 HydrophobicContact CG1-CD2 4.04Å; V716-L718 PolarHBondContact O-N 3.34Å
717A90.6Very high83.2Confident4 Ų456.5 Ų56.53%0.03329%0.286CS..EExtended strand (participates in β ladder)trans-76.7117.617400000110.8R122 F702 L719R122-A717 HydrophobicContact CG-CB 3.98Å; F702-A717 HydrophobicContact CD2-CB 4.09Å; F702-A717 HydrophobicContact CE2-CB 3.74Å; A717-L719 VanDerWaalsContact C-N 3.3Å; A717-L719 HydrophobicContact CB-CG 4.42Å; A717-L719 PolarHBondContact O-N 2.8Å
718L92.5Very high84.1Confident50 Ų5056.8 Ų56.826%0.26229%0.287SS..  trans-86.869.7-175.7-58.8-180000111.3H635 Y636 K703 D705 V716H635-L718 HydrophobicContact CB-CD2 3.97Å; Y636-L718 HydrophobicContact CE2-CD2 4.15Å; Y636-L718 WeakPolarHBondContact OH-CD2 3.26Å; K703-L718 HydrophobicContact CB-CD1 4.36Å; K703-L718 HydrophobicContact CD-CD1 4.18Å; K703-L718 HydrophobicContact CG-CD1 4.41Å; K703-L718 WeakPolarHBondContact O-CB 3.45Å; K703-L718 PolarHBondContact O-N 2.9Å; D705-L718 HydrophobicContact CB-CD1 4.39Å; V716-L718 HydrophobicContact CG1-CD2 4.04Å; V716-L718 PolarHBondContact O-N 3.34Å
719L94.7Very high85.5Confident10 Ų1060.9 Ų60.95%0.05229%0.285CS..PPolyproline II helixtrans-87.9142.7175.5-61.3172.6000111.2R117 F121 H635 P699 F702 A717 F721R117-L719 HydrophobicContact CG-CD1 4.22Å; F121-L719 HydrophobicContact CB-CD1 3.73Å; F121-L719 HydrophobicContact CB-CD2 4.25Å; F121-L719 HydrophobicContact CD1-CD1 4.21Å; F121-L719 HydrophobicContact CD1-CD2 3.6Å; F121-L719 HydrophobicContact CD2-CD1 3.98Å; F121-L719 HydrophobicContact CE1-CD2 4.1Å; F121-L719 HydrophobicContact CG-CD1 3.71Å; F121-L719 HydrophobicContact CG-CD2 3.98Å; H635-L719 PolarHBondContact CE1-O 3.42Å; H635-L719 PolarHBondContact NE2-O 3Å; P699-L719 HydrophobicContact CG-CD2 4.15Å; F702-L719 HydrophobicContact CB-CD2 3.96Å; F702-L719 HydrophobicContact CD1-CD2 3.81Å; F702-L719 HydrophobicContact CD2-CD2 3.92Å; F702-L719 HydrophobicContact CD2-CG 4.5Å; F702-L719 HydrophobicContact CE1-CD2 4.32Å; F702-L719 HydrophobicContact CE2-CD2 4.42Å; F702-L719 HydrophobicContact CG-CD2 3.6Å; A717-L719 VanDerWaalsContact C-N 3.3Å; A717-L719 HydrophobicContact CB-CG 4.42Å; A717-L719 PolarHBondContact O-N 2.8Å; L719-F721 PolarHBondContact O-N 3.02Å
720P94.9Very high86.8Confident42 Ų4260 Ų6027%0.27328%0.282SS..PPolyproline II helixtrans-69.3128.3173.927.9-32.3000110.2R117 D696 V722R117-P720 VanDerWaalsContact CZ-O 3.25Å; R117-P720 PolarHBondContact NH1-O 3.02Å; R117-P720 PolarHBondContact NH2-O 2.95Å; D696-P720 VanDerWaalsContact O-CG 3.25Å; D696-P720 WeakPolarHBondContact O-CG 3.47Å; P720-V722 PolarHBondContact O-N 2.86Å
721F96.1Very high88.5Confident60 Ų6053.3 Ų53.326%0.26326%0.257SS..PPolyproline II helixtrans-59.4132.7175.4-64.1-77.6000110.8Y631 P633 H635 L719Y631-F721 HydrophobicContact CD2-CD1 4.04Å; Y631-F721 HydrophobicContact CD2-CE1 4.19Å; Y631-F721 HydrophobicContact CE2-CB 4.26Å; Y631-F721 AromaticContact CE2-CD1 3.73Å; Y631-F721 HydrophobicContact CE2-CD1 3.73Å; Y631-F721 HydrophobicContact CE2-CE1 4.19Å; Y631-F721 AromaticContact CE2-CG 3.95Å; Y631-F721 HydrophobicContact CE2-CG 3.95Å; P633-F721 WeakPolarHBondContact O-CE2 3.44Å; H635-F721 AromaticContact CE1-CE2 3.61Å; H635-F721 AromaticContact NE2-CE2 3.91Å; H635-F721 AromaticContact NE2-CZ 3.96Å; L719-F721 PolarHBondContact O-N 3.02Å
722V96.5Very high90.2Very high3 Ų353.1 Ų53.12%0.01826%0.262CS..PPolyproline II helixtrans-69.8129.8178.4156.60000109.8R110 F697 P720 E724 L727R110-V722 PolarHBondContact NH2-O 2.88Å; F697-V722 HydrophobicContact CB-CG2 3.86Å; F697-V722 HydrophobicContact CD1-CG2 4.08Å; F697-V722 HydrophobicContact CD2-CB 4.28Å; F697-V722 HydrophobicContact CD2-CG1 4.1Å; F697-V722 HydrophobicContact CD2-CG2 3.69Å; F697-V722 HydrophobicContact CE2-CB 4.35Å; F697-V722 HydrophobicContact CE2-CG1 3.9Å; F697-V722 HydrophobicContact CE2-CG2 4.25Å; F697-V722 HydrophobicContact CG-CB 4.42Å; F697-V722 HydrophobicContact CG-CG2 3.61Å; F697-V722 HydrophobicContact CZ-CG1 4.34Å; P720-V722 PolarHBondContact O-N 2.86Å; V722-E724 PolarHBondContact O-N 2.81Å; V722-L727 HydrophobicContact CG1-CB 4.06Å; V722-L727 HydrophobicContact CG1-CD2 3.99Å
723D96.8Very high91.8Very high72 Ų7253.5 Ų53.539%0.38528%0.275SS..  trans-77115.6167.7-178.7-35.7000109F697 V725 R726 L727F697-D723 HydrophobicContact CE1-CB 4.41Å; F697-D723 HydrophobicContact CZ-CB 3.88Å; F697-D723 VanDerWaalsContact CZ-N 3.27Å; D723-V725 WeakPolarHBondContact OD1-CB 3.4Å; D723-V725 PolarHBondContact OD1-N 2.84Å; D723-R726 HydrophobicContact CB-CB 3.97Å; D723-R726 PolarHBondContact O-N 2.82Å; D723-R726 PolarHBondContact OD1-N 3.01Å; D723-L727 WeakPolarHBondContact O-CB 3.36Å; D723-L727 PolarHBondContact O-N 3.41Å
724E94.7Very high93.2Very high61 Ų6148.8 Ų48.829%0.28526%0.257SS..Hα-helixtrans-59-44.9179.7170.7177.6167.700112.4F661 V722 R726 L727 L728F661-E724 HydrophobicContact CE1-CG 3.86Å; F661-E724 HydrophobicContact CZ-CB 4.17Å; F661-E724 HydrophobicContact CZ-CG 3.71Å; V722-E724 PolarHBondContact O-N 2.81Å; E724-R726 VanDerWaalsContact C-N 3.35Å; E724-R726 PolarHBondContact O-N 3.06Å; E724-L727 PolarHBondContact O-N 3.06Å; E724-L728 HydrophobicContact CG-CD1 3.78Å; E724-L728 HydrophobicContact CG-CG 4.35Å; E724-L728 WeakPolarHBondContact O-CB 3.24Å; E724-L728 WeakPolarHBondContact O-CG 3.3Å; E724-L728 PolarHBondContact O-N 3.13Å
725V95.8Very high94.4Very high112 Ų11248.7 Ų48.768%0.67925%0.254SS*.Hα-helixtrans-68-40.2-176.6-178.80000109.9D723 K729D723-V725 WeakPolarHBondContact OD1-CB 3.4Å; D723-V725 PolarHBondContact OD1-N 2.84Å; V725-K729 VanDerWaalsContact O-CB 3.25Å; V725-K729 WeakPolarHBondContact O-CB 3.48Å; V725-K729 PolarHBondContact O-N 2.98Å; V725-K729 VanDerWaalsContact O-N 3.15Å
726R97.5Very high95.2Very high85 Ų8554.6 Ų54.632%0.32128%0.284SS..Hα-helixtrans-70.4-38.7177.1-158.6168.480.9-128.59.5112.3P693 I694 D696 F697 D723 E724 A730P693-R726 PolarHBondContact O-NE 3.27Å; I694-R726 HydrophobicContact CG2-CG 4.1Å; D696-R726 IonicContact OD1-CZ 3.14Å; D696-R726 IonicContact OD1-NH2 3.63Å; D696-R726 PolarHBondContact OD1-NH2 3.13Å; D696-R726 IonicContact OD2-CZ 2.75Å; D696-R726 IonicContact OD2-NH2 2.81Å; D696-R726 PolarHBondContact OD2-NH2 2.68Å; F697-R726 HydrophobicContact CZ-CB 4.45Å; D723-R726 HydrophobicContact CB-CB 3.97Å; D723-R726 PolarHBondContact O-N 2.82Å; D723-R726 PolarHBondContact OD1-N 3.01Å; E724-R726 VanDerWaalsContact C-N 3.35Å; E724-R726 PolarHBondContact O-N 3.06Å; R726-A730 PolarHBondContact O-N 3.3Å
727L97.4Very high95.7Very high0 Ų057.7 Ų57.70%030%0.299CS..Hα-helixtrans-61.5-58.9173.8178.568.5000111.2F661 M668 I694 F697 V722 D723 E724 K729 A730 L731F661-L727 HydrophobicContact CE2-CD2 4.17Å; M668-L727 HydrophobicContact CB-CD1 4.03Å; I694-L727 HydrophobicContact CD1-CD1 3.73Å; F697-L727 HydrophobicContact CE2-CB 4.31Å; V722-L727 HydrophobicContact CG1-CB 4.06Å; V722-L727 HydrophobicContact CG1-CD2 3.99Å; D723-L727 WeakPolarHBondContact O-CB 3.36Å; D723-L727 PolarHBondContact O-N 3.41Å; E724-L727 PolarHBondContact O-N 3.06Å; L727-K729 VanDerWaalsContact C-N 3.29Å; L727-K729 PolarHBondContact O-N 3.2Å; L727-A730 WeakPolarHBondContact O-CB 3.4Å; L727-A730 PolarHBondContact O-N 3.28Å; L727-L731 HydrophobicContact CD1-CD1 4.09Å; L727-L731 HydrophobicContact CD1-CD2 4.42Å; L727-L731 HydrophobicContact CD1-CG 4.18Å; L727-L731 HydrophobicContact CD2-CD1 4.49Å; L727-L731 HydrophobicContact CG-CD1 4Å; L727-L731 HydrophobicContact CG-CG 4.34Å; L727-L731 WeakPolarHBondContact O-CG 3.3Å; L727-L731 PolarHBondContact O-N 2.75Å
728L96.5Very high95.9Very high37 Ų3758.6 Ų58.619%0.19430%0.303CS..Hα-helixtrans-58.5-43-174.6-68.4175.7000110.9E665 E724 A730 L731 D732E665-L728 HydrophobicContact CB-CD2 4.3Å; E665-L728 HydrophobicContact CG-CD2 3.84Å; E724-L728 HydrophobicContact CG-CD1 3.78Å; E724-L728 HydrophobicContact CG-CG 4.35Å; E724-L728 WeakPolarHBondContact O-CB 3.24Å; E724-L728 WeakPolarHBondContact O-CG 3.3Å; E724-L728 PolarHBondContact O-N 3.13Å; L728-A730 VanDerWaalsContact C-N 3.29Å; L728-A730 PolarHBondContact O-N 2.75Å; L728-L731 PolarHBondContact O-N 2.68Å; L728-L731 VanDerWaalsContact O-N 3.13Å; L728-D732 VanDerWaalsContact O-CB 3.31Å; L728-D732 WeakPolarHBondContact O-CB 3.46Å; L728-D732 PolarHBondContact O-N 3.45Å
729K97.2Very high96.1Very high158 Ų15859.8 Ų59.869%0.68731%0.312SS*.Hα-helixtrans-56.8-38.1174.5-176178.9178.2-176.80113.6V725 L727 A733V725-K729 VanDerWaalsContact O-CB 3.25Å; V725-K729 WeakPolarHBondContact O-CB 3.48Å; V725-K729 PolarHBondContact O-N 2.98Å; V725-K729 VanDerWaalsContact O-N 3.15Å; L727-K729 VanDerWaalsContact C-N 3.29Å; L727-K729 PolarHBondContact O-N 3.2Å; K729-A733 PolarHBondContact O-N 2.69Å
730A97.5Very high96.1Very high10 Ų1067.1 Ų67.18%0.08334%0.344CS..Hα-helixtrans-72.4-36.1177.900000112.5P693 I694 R726 L727 L728P693-A730 HydrophobicContact CG-CB 4.01Å; I694-A730 HydrophobicContact CD1-CB 4.09Å; I694-A730 HydrophobicContact CG1-CB 4.37Å; I694-A730 HydrophobicContact CG2-CB 4.08Å; R726-A730 PolarHBondContact O-N 3.3Å; L727-A730 WeakPolarHBondContact O-CB 3.4Å; L727-A730 PolarHBondContact O-N 3.28Å; L728-A730 VanDerWaalsContact C-N 3.29Å; L728-A730 PolarHBondContact O-N 2.75Å
731L97Very high96Very high0 Ų070.4 Ų70.40%036%0.355CS..Hα-helixtrans-74.3-43.6177-57-177.1000111.9E665 M668 W683 L686 L727 L728 A733 R734 R735E665-L731 HydrophobicContact CB-CD1 4.32Å; E665-L731 HydrophobicContact CG-CD1 4.05Å; M668-L731 HydrophobicContact CB-CD1 4.21Å; M668-L731 HydrophobicContact CB-CD2 4.37Å; M668-L731 HydrophobicContact CE-CD2 4.02Å; M668-L731 HydrophobicContact CG-CD1 4.11Å; M668-L731 HydrophobicContact CG-CD2 3.82Å; W683-L731 HydrophobicContact CD2-CD2 3.86Å; W683-L731 HydrophobicContact CE3-CD1 4.48Å; W683-L731 HydrophobicContact CE3-CD2 3.79Å; W683-L731 HydrophobicContact CG-CD2 4.32Å; W683-L731 HydrophobicContact CH2-CB 4.13Å; W683-L731 HydrophobicContact CH2-CD1 4.11Å; W683-L731 HydrophobicContact CH2-CD2 4.41Å; W683-L731 HydrophobicContact CH2-CG 4.43Å; W683-L731 HydrophobicContact CZ2-CB 4.04Å; W683-L731 HydrophobicContact CZ2-CD2 4.5Å; W683-L731 HydrophobicContact CZ3-CD1 3.92Å; W683-L731 HydrophobicContact CZ3-CD2 4.04Å; W683-L731 HydrophobicContact CZ3-CG 4.39Å; L686-L731 HydrophobicContact CD1-CD2 3.87Å; L727-L731 HydrophobicContact CD1-CD1 4.09Å; L727-L731 HydrophobicContact CD1-CD2 4.42Å; L727-L731 HydrophobicContact CD1-CG 4.18Å; L727-L731 HydrophobicContact CD2-CD1 4.49Å; L727-L731 HydrophobicContact CG-CD1 4Å; L727-L731 HydrophobicContact CG-CG 4.34Å; L727-L731 WeakPolarHBondContact O-CG 3.3Å; L727-L731 PolarHBondContact O-N 2.75Å; L728-L731 PolarHBondContact O-N 2.68Å; L728-L731 VanDerWaalsContact O-N 3.13Å; L731-A733 VanDerWaalsContact C-N 3.26Å; L731-A733 PolarHBondContact O-N 3.27Å; L731-R734 CarbonylContact O-C 3.56Å; L731-R734 PolarHBondContact O-N 3.47Å; L731-R735 PolarHBondContact O-N 2.8Å; L731-R735 VanDerWaalsContact O-N 3.08Å
732D95.4Very high96Very high83 Ų8368.5 Ų68.544%0.44435%0.347SS..Hα-helixtrans-55.5-41179.7-70.1-7.5000111.8L728 R734 R735L728-D732 VanDerWaalsContact O-CB 3.31Å; L728-D732 WeakPolarHBondContact O-CB 3.46Å; L728-D732 PolarHBondContact O-N 3.45Å; D732-R734 PolarHBondContact O-N 3.27Å; D732-R735 PolarHBondContact O-N 2.89Å; D732-R735 IonicContact OD1-CZ 3.78Å; D732-R735 IonicContact OD1-NE 3.4Å; D732-R735 PolarHBondContact OD1-NE 3Å; D732-R735 IonicContact OD1-NH2 2.67Å; D732-R735 PolarHBondContact OD1-NH2 3.29Å
733A96.1Very high95.9Very high76 Ų7671.3 Ų71.363%0.62836%0.364SS*.THydrogen-bonded Turntrans-61.1-10.8176.200000114.5K729 L731K729-A733 PolarHBondContact O-N 2.69Å; L731-A733 VanDerWaalsContact C-N 3.26Å; L731-A733 PolarHBondContact O-N 3.27Å
734R96.1Very high95.5Very high61 Ų6173.3 Ų73.323%0.2337%0.371CS..THydrogen-bonded Turntrans-131.84.2-176.4-57.4-172.2177.9-155.75.1114.2A682 D685 L731 D732 N736 L737A682-R734 WeakPolarHBondContact O-CD 3.13Å; A682-R734 PolarHBondContact O-NH1 3.1Å; D685-R734 IonicContact OD1-CZ 3.75Å; D685-R734 IonicContact OD1-NH1 3.79Å; D685-R734 PolarHBondContact OD1-NH1 3.01Å; D685-R734 IonicContact OD1-NH2 3.99Å; D685-R734 IonicContact OD2-CZ 3.21Å; D685-R734 IonicContact OD2-NH1 2.84Å; D685-R734 PolarHBondContact OD2-NH1 2.96Å; D685-R734 IonicContact OD2-NH2 2.74Å; D685-R734 PolarHBondContact OD2-NH2 2.87Å; L731-R734 CarbonylContact O-C 3.56Å; L731-R734 PolarHBondContact O-N 3.47Å; D732-R734 PolarHBondContact O-N 3.27Å; R734-N736 PolarHBondContact O-N 2.99Å; R734-L737 HydrophobicContact CB-CD1 4.28Å; R734-L737 WeakPolarHBondContact O-CB 3.42Å; R734-L737 PolarHBondContact O-N 2.65Å; R734-L737 VanDerWaalsContact O-N 3.08Å
735R94.3Very high95.4Very high58 Ų5871.1 Ų71.122%0.21936%0.36CS..G310 helixtrans-61.7-31.2-178.8-80.1-177.2-160.1-99.43.3113.6E665 W683 L731 D732 L737 L738E665-R735 IonicContact OE1-CZ 3.48Å; E665-R735 IonicContact OE1-NH1 3.75Å; E665-R735 PolarHBondContact OE1-NH1 3.25Å; E665-R735 IonicContact OE1-NH2 3.84Å; E665-R735 PolarHBondContact OE1-NH2 3Å; W683-R735 HydrophobicContact CZ2-CG 4.1Å; L731-R735 PolarHBondContact O-N 2.8Å; L731-R735 VanDerWaalsContact O-N 3.08Å; D732-R735 PolarHBondContact O-N 2.89Å; D732-R735 IonicContact OD1-CZ 3.78Å; D732-R735 IonicContact OD1-NE 3.4Å; D732-R735 PolarHBondContact OD1-NE 3Å; D732-R735 IonicContact OD1-NH2 2.67Å; D732-R735 PolarHBondContact OD1-NH2 3.29Å; R735-L737 PolarHBondContact O-N 3.08Å; R735-L738 WeakPolarHBondContact O-CB 3.46Å; R735-L738 WeakPolarHBondContact O-CG 3.42Å; R735-L738 PolarHBondContact O-N 3.2Å
736N95Very high95.4Very high129 Ų12966 Ų6669%0.6933%0.329SS*.G310 helixtrans-67.1-9.7176.465.5-53000113.9R734R734-N736 PolarHBondContact O-N 2.99Å
737L96.8Very high95.1Very high101 Ų10165.2 Ų65.253%0.52933%0.334SS..G310 helixtrans-93.7-5.1176.3-54.3179.4000113A682 R734 R735A682-L737 HydrophobicContact CB-CB 3.67Å; A682-L737 HydrophobicContact CB-CD1 4.29Å; R734-L737 HydrophobicContact CB-CD1 4.28Å; R734-L737 WeakPolarHBondContact O-CB 3.42Å; R734-L737 PolarHBondContact O-N 2.65Å; R734-L737 VanDerWaalsContact O-N 3.08Å; R735-L737 PolarHBondContact O-N 3.08Å
738L95.8Very high94.8Very high22 Ų2268.5 Ų68.512%0.11535%0.346CS..  trans-69.3137.6177.5-63.5179.2000110.8L664 P680 W683 R735 E742 V743L664-L738 HydrophobicContact CD1-CD1 4.14Å; L664-L738 HydrophobicContact CD1-CD2 4.44Å; P680-L738 HydrophobicContact CB-CD2 3.49Å; P680-L738 VanDerWaalsContact CB-CD2 3.49Å; P680-L738 HydrophobicContact CG-CD2 3.55Å; W683-L738 HydrophobicContact CD2-CD2 4.49Å; W683-L738 HydrophobicContact CH2-CD1 4.47Å; W683-L738 HydrophobicContact CZ2-CD1 3.94Å; W683-L738 HydrophobicContact CZ2-CD2 4.15Å; W683-L738 HydrophobicContact CZ2-CG 4.36Å; R735-L738 WeakPolarHBondContact O-CB 3.46Å; R735-L738 WeakPolarHBondContact O-CG 3.42Å; R735-L738 PolarHBondContact O-N 3.2Å; L738-E742 HydrophobicContact CB-CB 4.16Å; L738-E742 HydrophobicContact CD2-CB 4.3Å; L738-V743 HydrophobicContact CB-CG2 3.92Å
739T96.1Very high94.5Very high75 Ų7567.8 Ų67.846%0.4635%0.348SS..  trans-65.8160.4171.262.70000111.2E741 E742 V743T739-E741 VanDerWaalsContact C-N 3.26Å; T739-E741 PolarHBondContact O-N 2.84Å; T739-E742 WeakPolarHBondContact CB-OE2 3.39Å; T739-E742 WeakPolarHBondContact CG2-OE2 3.04Å; T739-E742 PolarHBondContact N-OE2 2.93Å; T739-E742 PolarHBondContact O-N 3.44Å; T739-E742 VanDerWaalsContact O-N 3.13Å; T739-E742 WeakPolarHBondContact OG1-CB 3.39Å; T739-E742 VanDerWaalsContact OG1-CG 3.22Å; T739-E742 WeakPolarHBondContact OG1-CG 3.43Å; T739-E742 PolarHBondContact OG1-N 2.97Å; T739-E742 PolarHBondContact OG1-OE2 3.49Å; T739-V743 WeakPolarHBondContact O-CG2 3.19Å; T739-V743 PolarHBondContact O-N 3.37Å
740K94Very high94.3Very high164 Ų16461 Ų6171%0.71332%0.32SS*.Hα-helixtrans-56-41.7176.3-174.8-177.5174.8-161.70112.2V743 E744K740-V743 PolarHBondContact O-N 2.91Å; K740-E744 WeakPolarHBondContact CE-OE1 3.32Å; K740-E744 IonicContact NZ-OE1 3.69Å; K740-E744 WeakPolarHBondContact O-CG 3.43Å; K740-E744 PolarHBondContact O-N 2.95Å; K740-E744 VanDerWaalsContact O-N 3.1Å
741E93.5Very high94.2Very high111 Ų11161 Ų6152%0.51932%0.319SS..Hα-helixtrans-58.6-53.6175.4-165.3-156.2141.700109.9T739 V743 E744 R745T739-E741 VanDerWaalsContact C-N 3.26Å; T739-E741 PolarHBondContact O-N 2.84Å; E741-V743 VanDerWaalsContact C-N 3.28Å; E741-V743 PolarHBondContact O-N 3.33Å; E741-E744 WeakPolarHBondContact O-CB 3.42Å; E741-E744 PolarHBondContact O-N 3.09Å; E741-R745 HydrophobicContact CG-CG 4.43Å; E741-R745 WeakPolarHBondContact O-CG 3.31Å; E741-R745 PolarHBondContact O-N 3.37Å; E741-R745 WeakPolarHBondContact OE1-CD 3.38Å
742E95.8Very high94.2Very high20 Ų2061.3 Ų61.39%0.09332%0.32CS..Hα-helixtrans-57-37.3179.8-72.2162.2147.600113.6P680 P681 L738 T739 N746P680-E742 WeakPolarHBondContact CA-OE1 3.45Å; P680-E742 WeakPolarHBondContact CB-OE1 3.44Å; P680-E742 HydrophobicContact CG-CG 4.34Å; P681-E742 VanDerWaalsContact CD-OE1 3.28Å; P681-E742 WeakPolarHBondContact CD-OE1 3.49Å; L738-E742 HydrophobicContact CB-CB 4.16Å; L738-E742 HydrophobicContact CD2-CB 4.3Å; T739-E742 WeakPolarHBondContact CB-OE2 3.39Å; T739-E742 WeakPolarHBondContact CG2-OE2 3.04Å; T739-E742 PolarHBondContact N-OE2 2.93Å; T739-E742 PolarHBondContact O-N 3.44Å; T739-E742 VanDerWaalsContact O-N 3.13Å; T739-E742 WeakPolarHBondContact OG1-CB 3.39Å; T739-E742 VanDerWaalsContact OG1-CG 3.22Å; T739-E742 WeakPolarHBondContact OG1-CG 3.43Å; T739-E742 PolarHBondContact OG1-N 2.97Å; T739-E742 PolarHBondContact OG1-OE2 3.49Å; E742-N746 WeakPolarHBondContact O-CB 3.35Å; E742-N746 PolarHBondContact O-N 3.2Å
743V93.8Very high94.3Very high62 Ų6257.3 Ų57.338%0.37630%0.299SS..Hα-helixtrans-62.1-48.7172.8173.20000110.8L738 T739 K740 E741 R745 N746 V747L738-V743 HydrophobicContact CB-CG2 3.92Å; T739-V743 WeakPolarHBondContact O-CG2 3.19Å; T739-V743 PolarHBondContact O-N 3.37Å; K740-V743 PolarHBondContact O-N 2.91Å; E741-V743 VanDerWaalsContact C-N 3.28Å; E741-V743 PolarHBondContact O-N 3.33Å; V743-R745 PolarHBondContact O-N 2.75Å; V743-N746 PolarHBondContact O-N 2.77Å; V743-V747 WeakPolarHBondContact O-CG2 3.41Å
744E90.4Very high94.4Very high115 Ų11553.7 Ų53.754%0.53727%0.269SS..Hα-helixtrans-59.2-43.2179.3-70.4173.1179.100112.1K740 E741 N746 V747K740-E744 WeakPolarHBondContact CE-OE1 3.32Å; K740-E744 IonicContact NZ-OE1 3.69Å; K740-E744 WeakPolarHBondContact O-CG 3.43Å; K740-E744 PolarHBondContact O-N 2.95Å; K740-E744 VanDerWaalsContact O-N 3.1Å; E741-E744 WeakPolarHBondContact O-CB 3.42Å; E741-E744 PolarHBondContact O-N 3.09Å; E744-N746 PolarHBondContact O-N 3.32Å; E744-V747 PolarHBondContact O-N 3.49Å
745R92.6Very high94.4Very high14 Ų1450.8 Ų50.85%0.05326%0.258CS..Hα-helixtrans-70.7-13.6176.62.3-179.5-72.585.7-0.3113.2G164 T165 N200 E741 V743G164-R745 PolarHBondContact O-NH1 3.5Å; G164-R745 PolarHBondContact O-NH2 2.84Å; T165-R745 PolarHBondContact O-NH1 2.66Å; T165-R745 VanDerWaalsContact O-NH1 3.16Å; N200-R745 PolarHBondContact ND2-O 2.98Å; E741-R745 HydrophobicContact CG-CG 4.43Å; E741-R745 WeakPolarHBondContact O-CG 3.31Å; E741-R745 PolarHBondContact O-N 3.37Å; E741-R745 WeakPolarHBondContact OE1-CD 3.38Å; V743-R745 PolarHBondContact O-N 2.75Å
746N94.9Very high94.5Very high5 Ų549.3 Ų49.33%0.02725%0.253CS..THydrogen-bonded Turntrans-96.78.3179.1-157.429.5000113.9R662 L664 E742 V743 E744R662-N746 WeakPolarHBondContact CB-OD1 3.32Å; L664-N746 WeakPolarHBondContact CB-OD1 3.34Å; L664-N746 HydrophobicContact CD1-CB 3.64Å; L664-N746 HydrophobicContact CG-CB 3.8Å; L664-N746 WeakPolarHBondContact CG-OD1 3.39Å; L664-N746 PolarHBondContact N-OD1 3.49Å; E742-N746 WeakPolarHBondContact O-CB 3.35Å; E742-N746 PolarHBondContact O-N 3.2Å; V743-N746 PolarHBondContact O-N 2.77Å; E744-N746 PolarHBondContact O-N 3.32Å
747V90.9Very high94.5Very high68 Ų6845 Ų4541%0.41223%0.234SC..SBendtrans-89.6146.8174.8-175.70000110.5N200 V743 E744N200-V747 PolarHBondContact ND2-O 2.8Å; V743-V747 WeakPolarHBondContact O-CG2 3.41Å; E744-V747 PolarHBondContact O-N 3.49Å
748R92.3Very high94.3Very high70 Ų7044 Ų4426%0.26423%0.23SC..  trans-78124.6170.8-60.9-177.5-166.9136.45.8109.5N200 P202 P660 I785N200-R748 CarbonylContact O-C 3.53Å; N200-R748 WeakPolarHBondContact O-CA 3.5Å; P202-R748 HydrophobicContact CG-CB 4.32Å; P202-R748 HydrophobicContact CG-CG 4.13Å; P660-R748 PolarHBondContact O-NE 3.21Å; P660-R748 PolarHBondContact O-NH2 2.87Å; R748-I785 HydrophobicContact CB-CD1 3.98Å; R748-I785 HydrophobicContact CB-CG1 4.45Å
749G89.7Confident94.3Very high22 Ų2243.1 Ų43.123%0.22723%0.225CC..  trans-85.7-170.3-175.600000114.4N200 I785N200-G749 PolarHBondContact O-N 3.18Å; G749-I785 WeakPolarHBondContact O-CG2 3.49Å
750S92.5Very high94.3Very high15 Ų1543.6 Ų43.611%0.10523%0.23CC..  trans-137.6154.6169.3-63.10000109.6V201 I785 W806V201-S750 VanDerWaalsContact CG2-C 3.45Å; S750-I785 WeakPolarHBondContact OG-CG2 3.47Å; S750-W806 WeakPolarHBondContact OG-CZ2 3.22Å
751D96.3Very high94.3Very high11 Ų1135.8 Ų35.86%0.05920%0.196CC..EExtended strand (participates in β ladder)trans-57149.4175.9-74.86.4000110.9Y101 S197 Y838 F839Y101-D751 PolarHBondContact OH-OD2 2.72Å; S197-D751 WeakPolarHBondContact CB-OD1 3.44Å; S197-D751 PolarHBondContact OG-OD1 3.11Å; D751-Y838 CarbonylContact O-C 3.59Å; D751-Y838 WeakPolarHBondContact O-CA 3.28Å; D751-F839 HydrophobicContact CB-CB 4.34Å; D751-F839 HydrophobicContact CB-CD1 4.17Å; D751-F839 PolarHBondContact O-N 3.35Å
752Q96.8Very high94.3Very high5 Ų530.6 Ų30.62%0.02317%0.171CC..EExtended strand (participates in β ladder)trans-114.3120.2175.6-67.2176.960.400109.8F195 L196 F754 N808 I837 Y838F195-Q752 CarbonylContact C-O 3.53Å; F195-Q752 WeakPolarHBondContact CA-O 3.42Å; L196-Q752 PolarHBondContact N-O 2.9Å; L196-Q752 PolarHBondContact O-N 3.49Å; Q752-F754 HydrophobicContact CB-CD2 4.41Å; Q752-F754 HydrophobicContact CB-CE2 3.49Å; Q752-F754 VanDerWaalsContact CB-CE2 3.49Å; Q752-F754 HydrophobicContact CB-CZ 3.9Å; Q752-F754 WeakPolarHBondContact O-CD2 3.41Å; Q752-F754 WeakPolarHBondContact O-CE2 3.5Å; Q752-N808 PolarHBondContact OE1-ND2 3.39Å; Q752-I837 CarbonylContact C-O 3.49Å; Q752-I837 WeakPolarHBondContact CA-O 3.4Å; Q752-Y838 HydrophobicContact CG-CD1 3.83Å; Q752-Y838 HydrophobicContact CG-CE1 3.93Å
753L97.4Very high94.2Very high0 Ų033.7 Ų33.70%019%0.194CC..EExtended strand (participates in β ladder)trans-93.5132.2174.1165.262.5000109.6M193 V194 F195 L765 I793 I805 S836 I837 F839M193-L753 HydrophobicContact CB-CD1 3.98Å; M193-L753 HydrophobicContact CE-CD1 3.61Å; M193-L753 HydrophobicContact CE-CD2 3.79Å; M193-L753 HydrophobicContact CE-CG 4.36Å; M193-L753 HydrophobicContact CG-CD1 4.44Å; V194-L753 CarbonylContact O-C 3.52Å; F195-L753 HydrophobicContact CD1-CB 4.28Å; F195-L753 HydrophobicContact CD1-CD1 4.38Å; F195-L753 HydrophobicContact CD2-CD1 4.37Å; F195-L753 HydrophobicContact CE1-CB 4.15Å; F195-L753 HydrophobicContact CE1-CD1 3.95Å; F195-L753 HydrophobicContact CE1-CG 4.43Å; F195-L753 HydrophobicContact CE2-CD1 3.95Å; F195-L753 HydrophobicContact CZ-CD1 3.72Å; L753-L765 HydrophobicContact CD2-CD1 4.09Å; L753-L765 HydrophobicContact CD2-CD2 4.48Å; L753-L765 HydrophobicContact CG-CD1 4.22Å; L753-I793 HydrophobicContact CD2-CD1 3.73Å; L753-I805 HydrophobicContact CD2-CG2 4.43Å; L753-S836 CarbonylContact O-C 3.57Å; L753-S836 VanDerWaalsContact O-CA 3.3Å; L753-S836 WeakPolarHBondContact O-CA 3.43Å; L753-I837 HydrophobicContact CB-CG2 3.91Å; L753-I837 HydrophobicContact CD2-CG2 4.15Å; L753-I837 HydrophobicContact CG-CG2 4.17Å; L753-I837 PolarHBondContact N-O 2.94Å; L753-I837 PolarHBondContact O-N 3.08Å; L753-F839 HydrophobicContact CB-CB 3.99Å; L753-F839 HydrophobicContact CD2-CD2 4.49Å
754F97.5Very high94.1Very high0 Ų033.6 Ų33.60%019%0.19CC..EExtended strand (participates in β ladder)trans-123.7141.1175.6-54.3-108.4000110.1R176 I179 Y180 L183 V194 L196 Q752 V835 S836R176-F754 HydrophobicContact CB-CZ 4.46Å; R176-F754 HydrophobicContact CG-CZ 3.9Å; I179-F754 HydrophobicContact CD1-CD2 4.4Å; I179-F754 HydrophobicContact CD1-CE2 4.27Å; I179-F754 HydrophobicContact CG2-CB 3.8Å; I179-F754 HydrophobicContact CG2-CD1 3.84Å; I179-F754 HydrophobicContact CG2-CD2 4.08Å; I179-F754 HydrophobicContact CG2-CE1 4.47Å; I179-F754 HydrophobicContact CG2-CG 3.65Å; Y180-F754 HydrophobicContact CD2-CE1 4.34Å; Y180-F754 HydrophobicContact CE2-CD1 4.32Å; Y180-F754 AromaticContact CE2-CE1 3.77Å; Y180-F754 HydrophobicContact CE2-CE1 3.77Å; L183-F754 HydrophobicContact CD1-CB 3.63Å; V194-F754 HydrophobicContact CB-CB 4.31Å; V194-F754 PolarHBondContact N-O 2.81Å; V194-F754 PolarHBondContact O-N 3.42Å; L196-F754 HydrophobicContact CB-CE2 3.96Å; Q752-F754 HydrophobicContact CB-CD2 4.41Å; Q752-F754 HydrophobicContact CB-CE2 3.49Å; Q752-F754 VanDerWaalsContact CB-CE2 3.49Å; Q752-F754 HydrophobicContact CB-CZ 3.9Å; Q752-F754 WeakPolarHBondContact O-CD2 3.41Å; Q752-F754 WeakPolarHBondContact O-CE2 3.5Å; F754-V835 WeakPolarHBondContact CA-O 3.5Å; F754-S836 VanDerWaalsContact CD1-CB 3.46Å; F754-S836 WeakPolarHBondContact CE1-OG 3.23Å; F754-S836 VanDerWaalsContact CZ-OG 3.27Å; F754-S836 WeakPolarHBondContact CZ-OG 3.45Å
755C96.7Very high94.2Very high0 Ų028.1 Ų28.10%017%0.165CC..EExtended strand (participates in β ladder)trans-150.9169162.167.50000109.7H759 A834 V835C755-H759 HydrophobicContact CB-CB 4Å; C755-A834 VanDerWaalsContact O-CA 3.32Å; C755-A834 WeakPolarHBondContact O-CA 3.1Å; C755-A834 WeakPolarHBondContact O-CB 3.39Å; C755-V835 PolarHBondContact N-O 3.03Å; C755-V835 PolarHBondContact O-N 3.35Å
756R96Very high94.2Very high27 Ų2730.5 Ų30.510%0.10218%0.176CC..EExtended strand (participates in β ladder)trans-68.4153.8170.9-71.1175.259.797.42.2111.7L183 T184 K190 D758 H759 E833L183-R756 HydrophobicContact CB-CG 4.16Å; L183-R756 HydrophobicContact CD2-CG 4.35Å; L183-R756 WeakPolarHBondContact O-CD 3.38Å; L183-R756 VanDerWaalsContact O-CG 3.25Å; L183-R756 WeakPolarHBondContact O-CG 3.28Å; L183-R756 PolarHBondContact O-NH1 2.92Å; T184-R756 PolarHBondContact O-NH1 3.37Å; K190-R756 WeakPolarHBondContact O-CD 3.4Å; R756-D758 VanDerWaalsContact CB-OD1 3.24Å; R756-D758 WeakPolarHBondContact CB-OD1 3.43Å; R756-D758 IonicContact CZ-OD1 3.86Å; R756-D758 IonicContact NE-OD1 3.05Å; R756-D758 PolarHBondContact NE-OD1 3.35Å; R756-D758 IonicContact NE-OD2 3.7Å; R756-D758 IonicContact NH2-OD1 3.23Å; R756-D758 PolarHBondContact NH2-OD1 2.98Å; R756-D758 IonicContact NH2-OD2 3.42Å; R756-D758 PolarHBondContact O-N 3.2Å; R756-H759 WeakPolarHBondContact O-CB 3.48Å; R756-H759 PolarHBondContact O-N 3.49Å; R756-H759 VanDerWaalsContact O-N 3.09Å; R756-E833 CarbonylContact C-O 3.54Å; R756-E833 WeakPolarHBondContact CA-O 3.39Å; R756-E833 IonicContact CZ-OE2 3.27Å; R756-E833 IonicContact NH1-OE2 2.7Å; R756-E833 PolarHBondContact NH1-OE2 2.85Å; R756-E833 IonicContact NH2-OE2 3.7Å; R756-E833 PolarHBondContact NH2-OE2 3.38Å
757A94.1Very high94Very high37 Ų3732.6 Ų32.631%0.30619%0.191SC..THydrogen-bonded Turntrans-63.4-26.1175.400000113.3P814 E833A757-P814 HydrophobicContact CB-CB 4.11Å; A757-P814 HydrophobicContact CB-CG 3.85Å; A757-E833 WeakPolarHBondContact CB-O 3.32Å; A757-E833 PolarHBondContact N-O 3.34Å
758D94.2Very high94Very high82 Ų8230.4 Ų30.444%0.43918%0.177SC..THydrogen-bonded Turntrans-91.50174.667.6-32.1000114.3K190 R756K190-D758 WeakPolarHBondContact CE-OD2 3.4Å; K190-D758 IonicContact NZ-OD2 2.83Å; K190-D758 PolarHBondContact NZ-OD2 2.68Å; R756-D758 VanDerWaalsContact CB-OD1 3.24Å; R756-D758 WeakPolarHBondContact CB-OD1 3.43Å; R756-D758 IonicContact CZ-OD1 3.86Å; R756-D758 IonicContact NE-OD1 3.05Å; R756-D758 PolarHBondContact NE-OD1 3.35Å; R756-D758 IonicContact NE-OD2 3.7Å; R756-D758 IonicContact NH2-OD1 3.23Å; R756-D758 PolarHBondContact NH2-OD1 2.98Å; R756-D758 IonicContact NH2-OD2 3.42Å; R756-D758 PolarHBondContact O-N 3.2Å
759H95.4Very high93.8Very high3 Ų329 Ų291%0.01417%0.172CC..SBendtrans-66.5148.1167.5-175-100.2000110C755 R756 A761 G762 P763 F799C755-H759 HydrophobicContact CB-CB 4Å; R756-H759 WeakPolarHBondContact O-CB 3.48Å; R756-H759 PolarHBondContact O-N 3.49Å; R756-H759 VanDerWaalsContact O-N 3.09Å; H759-A761 PolarHBondContact ND1-N 3.28Å; H759-A761 PolarHBondContact O-N 3.05Å; H759-A761 VanDerWaalsContact O-N 3.08Å; H759-G762 WeakPolarHBondContact O-CA 3.13Å; H759-G762 PolarHBondContact O-N 3.02Å; H759-P763 VanDerWaalsContact O-CD 3.24Å; H759-P763 WeakPolarHBondContact O-CD 3.49Å; H759-F799 AromaticContact NE2-CE2 3.46Å; H759-F799 WeakPolarHBondContact NE2-CE2 3.48Å; H759-F799 AromaticContact NE2-CZ 3.75Å
760P95Very high93.6Very high85 Ų8535.1 Ų35.155%0.55219%0.193SC*.THydrogen-bonded Turntrans-52.7-33.5179.6-31.137.7000115.2V797P760-V797 HydrophobicContact CB-CB 4.04Å; P760-V797 HydrophobicContact CB-CG1 4.47Å
761A94.4Very high92.6Very high0 Ų038.2 Ų38.20%021%0.211CC..THydrogen-bonded Turntrans-78-22.4173.400000114.4H759 L764 L765 V797 T798H759-A761 PolarHBondContact ND1-N 3.28Å; H759-A761 PolarHBondContact O-N 3.05Å; H759-A761 VanDerWaalsContact O-N 3.08Å; A761-L764 WeakPolarHBondContact O-CB 3.37Å; A761-L764 PolarHBondContact O-N 3.34Å; A761-L765 WeakPolarHBondContact O-CG 3.33Å; A761-L765 PolarHBondContact O-N 3.34Å; A761-V797 HydrophobicContact CB-CG2 4.07Å; A761-V797 PolarHBondContact N-O 3.16Å; A761-T798 HydrophobicContact CB-CG2 3.95Å
762G94.1Very high91Very high1 Ų138.6 Ų38.61%0.0121%0.214CC..Hα-helixtrans-52.5-48.2-173.500000114.3H759 L764 L765 H766H759-G762 WeakPolarHBondContact O-CA 3.13Å; H759-G762 PolarHBondContact O-N 3.02Å; G762-L764 VanDerWaalsContact C-N 3.32Å; G762-L764 PolarHBondContact O-N 3.02Å; G762-L765 PolarHBondContact O-N 2.85Å; G762-H766 VanDerWaalsContact O-CB 3.3Å; G762-H766 WeakPolarHBondContact O-CB 3.36Å; G762-H766 PolarHBondContact O-N 2.81Å
763P93.2Very high89Confident86 Ų8643.8 Ų43.856%0.55825%0.247SC*.Hα-helixtrans-59.9-37.3175.3-2736000113.9H759 S767H759-P763 VanDerWaalsContact O-CD 3.24Å; H759-P763 WeakPolarHBondContact O-CD 3.49Å; P763-S767 WeakPolarHBondContact O-CB 3.13Å; P763-S767 PolarHBondContact O-N 3.37Å
764L92.3Very high86.9Confident59 Ų5952.1 Ų52.131%0.30929%0.285SS..Hα-helixtrans-65.8-51.6176.1174.864.4000110.3A761 G762 H766 S767 I793 D794 V797A761-L764 WeakPolarHBondContact O-CB 3.37Å; A761-L764 PolarHBondContact O-N 3.34Å; G762-L764 VanDerWaalsContact C-N 3.32Å; G762-L764 PolarHBondContact O-N 3.02Å; L764-H766 VanDerWaalsContact C-N 3.34Å; L764-H766 PolarHBondContact O-N 2.7Å; L764-S767 WeakPolarHBondContact O-CB 3.3Å; L764-S767 PolarHBondContact O-N 2.98Å; L764-S767 VanDerWaalsContact O-N 3.13Å; L764-S767 PolarHBondContact O-OG 3.37Å; L764-I793 HydrophobicContact CD2-CG1 4.22Å; L764-D794 HydrophobicContact CD2-CB 4.27Å; L764-V797 HydrophobicContact CD2-CG2 4.35Å
765L93.1Very high84.8Confident0 Ų058.3 Ų58.30%031%0.312CS..Hα-helixtrans-60.9-44.1-179.2-55.7-166.2000111.4L753 A761 G762 S767 L768 I793 I805 V835 I837L753-L765 HydrophobicContact CD2-CD1 4.09Å; L753-L765 HydrophobicContact CD2-CD2 4.48Å; L753-L765 HydrophobicContact CG-CD1 4.22Å; A761-L765 WeakPolarHBondContact O-CG 3.33Å; A761-L765 PolarHBondContact O-N 3.34Å; G762-L765 PolarHBondContact O-N 2.85Å; L765-S767 VanDerWaalsContact C-N 3.29Å; L765-S767 PolarHBondContact O-N 3.48Å; L765-L768 PolarHBondContact O-N 3.32Å; L765-I793 HydrophobicContact CD2-CD1 4.03Å; L765-I805 HydrophobicContact CD2-CD1 3.51Å; L765-V835 HydrophobicContact CB-CG1 4Å; L765-V835 HydrophobicContact CB-CG2 4.28Å; L765-V835 HydrophobicContact CD1-CG1 4.27Å; L765-I837 HydrophobicContact CD1-CG2 3.94Å; L765-I837 HydrophobicContact CD2-CD1 4.37Å; L765-I837 HydrophobicContact CD2-CG2 4.12Å; L765-I837 HydrophobicContact CG-CG2 4.49Å
766H91.4Very high82.8Confident64 Ų6460.6 Ų60.630%0.29633%0.331SS..Hα-helixtrans-66.1-28.4177.9-175.6-133.4000113.1G762 L764 L768G762-H766 VanDerWaalsContact O-CB 3.3Å; G762-H766 WeakPolarHBondContact O-CB 3.36Å; G762-H766 PolarHBondContact O-N 2.81Å; L764-H766 VanDerWaalsContact C-N 3.34Å; L764-H766 PolarHBondContact O-N 2.7Å; H766-L768 PolarHBondContact O-N 2.86Å
767S90.5Very high80.6Confident49 Ų4967.5 Ų67.534%0.34337%0.365SS..Hα-helixtrans-66.9-33.6178.276.70000113.4P763 L764 L765 Y769 K770P763-S767 WeakPolarHBondContact O-CB 3.13Å; P763-S767 PolarHBondContact O-N 3.37Å; L764-S767 WeakPolarHBondContact O-CB 3.3Å; L764-S767 PolarHBondContact O-N 2.98Å; L764-S767 VanDerWaalsContact O-N 3.13Å; L764-S767 PolarHBondContact O-OG 3.37Å; L765-S767 VanDerWaalsContact C-N 3.29Å; L765-S767 PolarHBondContact O-N 3.48Å; S767-Y769 VanDerWaalsContact C-N 3.29Å; S767-Y769 PolarHBondContact O-N 2.79Å; S767-K770 WeakPolarHBondContact O-CB 3.46Å; S767-K770 PolarHBondContact O-N 3.48Å
768L90.9Very high78.5Confident22 Ų2275.3 Ų75.312%0.11539%0.392CS..Hα-helixtrans-64.2-34.9-178.1-68.8170.4000112.1L765 H766 K770 V771 S772 I805 P807 I837L765-L768 PolarHBondContact O-N 3.32Å; H766-L768 PolarHBondContact O-N 2.86Å; L768-K770 PolarHBondContact O-N 3.1Å; L768-V771 PolarHBondContact O-N 3.4Å; L768-V771 VanDerWaalsContact O-N 3.08Å; L768-S772 PolarHBondContact O-N 3.34Å; L768-S772 VanDerWaalsContact O-N 3.11Å; L768-S772 PolarHBondContact O-OG 2.95Å; L768-I805 HydrophobicContact CD1-CD1 3.56Å; L768-I805 HydrophobicContact CD1-CG1 3.88Å; L768-P807 HydrophobicContact CB-CG 4.01Å; L768-I837 HydrophobicContact CB-CD1 4.33Å; L768-I837 HydrophobicContact CD1-CD1 3.52Å
769Y89.3Confident76.3Confident41 Ų4173.6 Ų73.616%0.16138%0.382CS..THydrogen-bonded Turntrans-63.3-19.7174.2-78.9-83.8000114.5S767 P807 N808 T811 L813 V835 S836 I837S767-Y769 VanDerWaalsContact C-N 3.29Å; S767-Y769 PolarHBondContact O-N 2.79Å; Y769-P807 HydrophobicContact CD1-CB 3.9Å; Y769-P807 HydrophobicContact CD1-CG 4.38Å; Y769-P807 HydrophobicContact CD2-CG 4.43Å; Y769-P807 HydrophobicContact CE1-CB 3.55Å; Y769-P807 HydrophobicContact CE1-CG 4.4Å; Y769-P807 HydrophobicContact CE2-CB 4.21Å; Y769-P807 HydrophobicContact CE2-CG 4.44Å; Y769-P807 HydrophobicContact CG-CB 4.37Å; Y769-P807 HydrophobicContact CG-CG 4.4Å; Y769-N808 WeakPolarHBondContact CE1-O 3.22Å; Y769-N808 WeakPolarHBondContact OH-CA 3.28Å; Y769-N808 PolarHBondContact OH-N 3.32Å; Y769-N808 PolarHBondContact OH-O 3.43Å; Y769-T811 HydrophobicContact CD1-CG2 4.09Å; Y769-T811 HydrophobicContact CE1-CG2 3.29Å; Y769-T811 HydrophobicContact CE2-CG2 4.25Å; Y769-T811 VanDerWaalsContact OH-CB 3.24Å; Y769-T811 WeakPolarHBondContact OH-CB 3.44Å; Y769-T811 WeakPolarHBondContact OH-CG2 3.17Å; Y769-L813 HydrophobicContact CD1-CD2 4Å; Y769-L813 HydrophobicContact CD2-CD2 4.06Å; Y769-L813 HydrophobicContact CE1-CD2 4.42Å; Y769-L813 HydrophobicContact CE2-CD2 4.49Å; Y769-L813 HydrophobicContact CG-CD2 3.8Å; Y769-V835 HydrophobicContact CE2-CG2 4.38Å; Y769-S836 WeakPolarHBondContact CE2-O 3.41Å; Y769-S836 PolarHBondContact OH-O 3.42Å; Y769-I837 HydrophobicContact CE2-CG1 4.5Å
770K83.7Confident73.9Confident151 Ų15180.5 Ų80.566%0.65742%0.419SS*.THydrogen-bonded Turntrans-85.2-15.3175.5-58.1-178.6179.6-177.30113.5S767 L768S767-K770 WeakPolarHBondContact O-CB 3.46Å; S767-K770 PolarHBondContact O-N 3.48Å; L768-K770 PolarHBondContact O-N 3.1Å
771V73.1Confident71.5Confident80 Ų8079 Ų7949%0.48541%0.411SS..THydrogen-bonded Turntrans-107.1-32.8-173.2-1790000111.8L768 T773L768-V771 PolarHBondContact O-N 3.4Å; L768-V771 VanDerWaalsContact O-N 3.08Å; V771-T773 VanDerWaalsContact C-N 3.3Å; V771-T773 PolarHBondContact O-N 3.21Å
772S61.6Low69.4Low18 Ų1886.1 Ų86.113%0.12644%0.444CS..G310 helixtrans-74.5-9.5-169.5-71.90000116.1L768 E774 K775 A776 P807L768-S772 PolarHBondContact O-N 3.34Å; L768-S772 VanDerWaalsContact O-N 3.11Å; L768-S772 PolarHBondContact O-OG 2.95Å; S772-E774 PolarHBondContact O-N 3.44Å; S772-K775 PolarHBondContact O-N 3.2Å; S772-A776 PolarHBondContact O-N 3.06Å; S772-P807 WeakPolarHBondContact OG-CG 3.45Å
773T54.7Low67.3Low115 Ų11592.9 Ų92.971%0.70648%0.476SS*.G310 helixtrans-62.3-22.4176.638.20000113.9V771V771-T773 VanDerWaalsContact C-N 3.3Å; V771-T773 PolarHBondContact O-N 3.21Å
774E53.4Low65.5Low175 Ų17595.2 Ų95.282%0.81848%0.479SS*.G310 helixtrans-97.9-9.1-178.1-62.7-179171.400114.4S772S772-E774 PolarHBondContact O-N 3.44Å
775K54Low64.7Low130 Ų13095.9 Ų95.957%0.56548%0.482SS*.THydrogen-bonded Turntrans-118.9-10.9-169.9-67.1-175.1-178.61770115.3S772 E777S772-K775 PolarHBondContact O-N 3.2Å; K775-E777 VanDerWaalsContact C-N 3.32Å; K775-E777 PolarHBondContact O-N 3.37Å
776A54.4Low64.3Low48 Ų4898 Ų9840%0.39749%0.493SS..G310 helixtrans-73.7-16.1-171.700000114.9S772 K778S772-A776 PolarHBondContact O-N 3.06Å; A776-K778 VanDerWaalsContact C-N 3.35Å; A776-K778 PolarHBondContact O-N 2.86Å
777E50Low64Low172 Ų17295.8 Ų95.880%0.80448%0.484SS*.G310 helixtrans-87.620-167.4-57.2-173.2147.700115.6K775K775-E777 VanDerWaalsContact C-N 3.32Å; K775-E777 PolarHBondContact O-N 3.37Å
778K49.2Very low63.8Low200 Ų20098.5 Ų98.587%0.8750%0.503SS*.G310 helixtrans-137.49.1-172.2-72.3-170.3177.6177.70116.8A776A776-K778 VanDerWaalsContact C-N 3.35Å; A776-K778 PolarHBondContact O-N 2.86Å
779D49.6Very low63.5Low46 Ų46100.9 Ų100.925%0.24651%0.511CS..  trans-130.441.1-175-139.3-8.2000111.9S781 S788D779-S781 PolarHBondContact O-N 3.39Å; D779-S788 WeakPolarHBondContact OD2-CB 3.45Å; D779-S788 PolarHBondContact OD2-N 2.69Å; D779-S788 VanDerWaalsContact OD2-N 3.1Å; D779-S788 PolarHBondContact OD2-OG 2.9Å
780D44.3Very low63.6Low148 Ų148100 Ų10079%0.79151%0.512SS*.  trans-81.146177.8-77.9-27.2000112.5
781S43.5Very low64Low54 Ų5495.2 Ų95.238%0.37850%0.497SS..  trans-97.4109.7167.664.40000109.9D779 E783 H784D779-S781 PolarHBondContact O-N 3.39Å; S781-E783 PolarHBondContact O-N 3.09Å; S781-H784 PolarHBondContact O-N 3.12Å
782E50.6Low65.1Low150 Ų15095.2 Ų95.270%0.70151%0.506SS*.THydrogen-bonded Turntrans-57-12-178-71.5-165.817500114.6R662R662-E782 IonicContact NH1-OE2 3.8Å; R662-E782 IonicContact NH2-OE2 2.97Å; R662-E782 PolarHBondContact NH2-OE2 3.29Å
783E50.5Low66.6Low143 Ų14394.6 Ų94.667%0.66850%0.501SS*.THydrogen-bonded Turntrans-84-20.9-177.4-67.8-151.29800114.8K659 S781K659-E783 IonicContact NZ-OE1 2.68Å; K659-E783 PolarHBondContact NZ-OE1 3.27Å; S781-E783 PolarHBondContact O-N 3.09Å
784H55.1Low68.4Low135 Ų13591.3 Ų91.363%0.62548%0.479SS*.  trans-102.2101.8-175.6-70.9-44.9000112.6S781 I786S781-H784 PolarHBondContact O-N 3.12Å; H784-I786 VanDerWaalsContact C-N 3.32Å; H784-I786 PolarHBondContact O-N 3.18Å
785I75Confident70.3Confident72 Ų7284.4 Ų84.437%0.36945%0.449SS..SBendtrans-62-38.9177.5-61.8175.2000111.8R748 G749 S750R748-I785 HydrophobicContact CB-CD1 3.98Å; R748-I785 HydrophobicContact CB-CG1 4.45Å; G749-I785 WeakPolarHBondContact O-CG2 3.49Å; S750-I785 WeakPolarHBondContact OG-CG2 3.47Å
786I85.3Confident72.1Confident45 Ų4588.3 Ų88.323%0.23146%0.461CS..SBendtrans-101.3119.7178.4-54.5168.2000107.7H784 A790 L804 W806 S840 Q843H784-I786 VanDerWaalsContact C-N 3.32Å; H784-I786 PolarHBondContact O-N 3.18Å; I786-A790 HydrophobicContact CG2-CB 3.86Å; I786-L804 HydrophobicContact CG2-CD1 3.94Å; I786-W806 HydrophobicContact CB-CH2 4.48Å; I786-W806 HydrophobicContact CG1-CH2 4.14Å; I786-W806 HydrophobicContact CG2-CH2 4.37Å; I786-W806 HydrophobicContact CG2-CZ3 4.11Å; I786-S840 VanDerWaalsContact CD1-OG 3.29Å; I786-S840 WeakPolarHBondContact CD1-OG 3.43Å; I786-Q843 HydrophobicContact CD1-CG 4.32Å
787P86Confident74Confident18 Ų1888 Ų8812%0.11745%0.454CS..  trans-68.3147.9179.126.1-31.8000111.5W789 A790 W806P787-W789 HydrophobicContact CB-CD2 4.07Å; P787-W789 HydrophobicContact CB-CG 4.31Å; P787-W789 HydrophobicContact CB-CZ2 3.86Å; P787-W789 HydrophobicContact CG-CD2 4.34Å; P787-W789 HydrophobicContact CG-CH2 4.26Å; P787-W789 HydrophobicContact CG-CZ2 3.95Å; P787-W789 PolarHBondContact O-N 3.3Å; P787-A790 HydrophobicContact CG-CB 4.21Å; P787-A790 WeakPolarHBondContact O-CB 3.34Å; P787-A790 PolarHBondContact O-N 2.97Å; P787-W806 VanDerWaalsContact CD-CE2 3.42Å; P787-W806 HydrophobicContact CG-CB 4.03Å; P787-W806 HydrophobicContact CG-CD2 3.82Å; P787-W806 HydrophobicContact CG-CG 3.55Å
788S85.1Confident76Confident106 Ų10679.9 Ų79.974%0.74142%0.416SS*.THydrogen-bonded Turntrans-57.7-21-179.159.90000114.5D779D779-S788 WeakPolarHBondContact OD2-CB 3.45Å; D779-S788 PolarHBondContact OD2-N 2.69Å; D779-S788 VanDerWaalsContact OD2-N 3.1Å; D779-S788 PolarHBondContact OD2-OG 2.9Å
789W85.8Confident78Confident72 Ų7274.4 Ų74.427%0.27339%0.392SS..THydrogen-bonded Turntrans-1028.2-178.353.2-93.9000114.1P787 W806P787-W789 HydrophobicContact CB-CD2 4.07Å; P787-W789 HydrophobicContact CB-CG 4.31Å; P787-W789 HydrophobicContact CB-CZ2 3.86Å; P787-W789 HydrophobicContact CG-CD2 4.34Å; P787-W789 HydrophobicContact CG-CH2 4.26Å; P787-W789 HydrophobicContact CG-CZ2 3.95Å; P787-W789 PolarHBondContact O-N 3.3Å; W789-W806 HydrophobicContact CE3-CB 4.39Å; W789-W806 HydrophobicContact CH2-CB 3.9Å; W789-W806 HydrophobicContact CH2-CG 4.46Å; W789-W806 HydrophobicContact CZ3-CB 3.61Å
790A91.1Very high80.1Confident23 Ų2372.7 Ų72.719%0.1939%0.385CS..PPolyproline II helixtrans-56.4140.8174.300000111.9I786 P787 L804 W806I786-A790 HydrophobicContact CG2-CB 3.86Å; P787-A790 HydrophobicContact CG-CB 4.21Å; P787-A790 WeakPolarHBondContact O-CB 3.34Å; P787-A790 PolarHBondContact O-N 2.97Å; A790-L804 HydrophobicContact CB-CB 4.16Å; A790-W806 HydrophobicContact CB-CB 4.46Å; A790-W806 HydrophobicContact CB-CD2 4.43Å; A790-W806 HydrophobicContact CB-CE3 3.86Å
791S92.7Very high82.5Confident49 Ų4966.1 Ų66.134%0.34335%0.35SS..EExtended strand (participates in β ladder)trans-102.8140.5-175-65.10000111.3I793 L804 I805S791-I793 PolarHBondContact O-N 2.78Å; S791-L804 CarbonylContact O-C 3.57Å; S791-L804 WeakPolarHBondContact O-CA 3.42Å; S791-I805 PolarHBondContact N-O 3.17Å; S791-I805 VanDerWaalsContact O-CG1 3.27Å; S791-I805 WeakPolarHBondContact O-CG1 3.35Å; S791-I805 PolarHBondContact O-N 3.33Å
792A94.2Very high85Confident80 Ų8063.8 Ų63.866%0.66133%0.334SS*.EExtended strand (participates in β ladder)trans-68.9131.9172.200000110.7G803 L804A792-G803 WeakPolarHBondContact CA-O 3.47Å; A792-L804 HydrophobicContact CB-CD2 4.33Å
793I94.3Very high87.1Confident6 Ų657 Ų573%0.03131%0.305CS..PPolyproline II helixtrans-75.9142.6173.2-160.9166.5000110.1M193 L753 L764 L765 S791 P795 T798 G803 I805M193-I793 HydrophobicContact CE-CD1 4.42Å; L753-I793 HydrophobicContact CD2-CD1 3.73Å; L764-I793 HydrophobicContact CD2-CG1 4.22Å; L765-I793 HydrophobicContact CD2-CD1 4.03Å; S791-I793 PolarHBondContact O-N 2.78Å; I793-P795 VanDerWaalsContact O-CD 3.3Å; I793-P795 WeakPolarHBondContact O-CD 3.42Å; I793-T798 HydrophobicContact CD1-CG2 3.56Å; I793-T798 HydrophobicContact CG1-CG2 3.78Å; I793-G803 PolarHBondContact N-O 2.99Å; I793-I805 HydrophobicContact CB-CD1 3.95Å; I793-I805 HydrophobicContact CB-CG1 4.17Å; I793-I805 HydrophobicContact CB-CG2 4.29Å; I793-I805 HydrophobicContact CD1-CD1 4.09Å; I793-I805 HydrophobicContact CD1-CG2 4.1Å; I793-I805 HydrophobicContact CG1-CD1 3.88Å
794D93Very high89.3Confident45 Ų4552.5 Ų52.524%0.24129%0.285CS..  trans-82113.1-178.6-177.5-8.3000111.1L764 R796 V797 T798L764-D794 HydrophobicContact CD2-CB 4.27Å; D794-R796 PolarHBondContact O-N 3.33Å; D794-R796 VanDerWaalsContact OD1-CB 3.3Å; D794-R796 WeakPolarHBondContact OD1-CB 3.43Å; D794-R796 VanDerWaalsContact OD1-CG 3.32Å; D794-R796 WeakPolarHBondContact OD1-CG 3.44Å; D794-R796 IonicContact OD1-CZ 2.81Å; D794-R796 PolarHBondContact OD1-N 3.01Å; D794-R796 IonicContact OD1-NE 2.76Å; D794-R796 PolarHBondContact OD1-NE 3.12Å; D794-R796 IonicContact OD1-NH2 3.91Å; D794-R796 IonicContact OD2-CZ 2.73Å; D794-R796 VanDerWaalsContact OD2-CZ 3.27Å; D794-R796 IonicContact OD2-NE 2.63Å; D794-R796 PolarHBondContact OD2-NE 3.23Å; D794-R796 VanDerWaalsContact OD2-NE 3.09Å; D794-R796 IonicContact OD2-NH2 2.6Å; D794-R796 PolarHBondContact OD2-NH2 2.92Å; D794-V797 HydrophobicContact CB-CG2 4.27Å; D794-V797 WeakPolarHBondContact O-CG2 3.41Å; D794-V797 PolarHBondContact O-N 3.17Å; D794-T798 PolarHBondContact O-OG1 3.5Å
795P93.3Very high91.2Very high30 Ų3046.1 Ų46.120%0.19526%0.255CS..G310 helixtrans-58.8-22-176.7-25.536.7000114.5T221 I793 V797 T798 G800T221-P795 HydrophobicContact CG2-CB 3.85Å; T221-P795 HydrophobicContact CG2-CG 4.08Å; T221-P795 VanDerWaalsContact OG1-CB 3.31Å; T221-P795 WeakPolarHBondContact OG1-CB 3.39Å; I793-P795 VanDerWaalsContact O-CD 3.3Å; I793-P795 WeakPolarHBondContact O-CD 3.42Å; P795-V797 PolarHBondContact O-N 3.4Å; P795-T798 VanDerWaalsContact CA-OG1 3.22Å; P795-T798 WeakPolarHBondContact CA-OG1 3.49Å; P795-T798 PolarHBondContact O-N 2.86Å; P795-T798 PolarHBondContact O-OG1 3.18Å; P795-G800 WeakPolarHBondContact O-CA 3.29Å; P795-G800 PolarHBondContact O-N 3.49Å
796R92.1Very high92.1Very high213 Ų21343.4 Ų43.480%0.80424%0.24SC*.G310 helixtrans-69.9-19.3-177.2-59.6174.5-65.6177.43.5113.3D794D794-R796 PolarHBondContact O-N 3.33Å; D794-R796 VanDerWaalsContact OD1-CB 3.3Å; D794-R796 WeakPolarHBondContact OD1-CB 3.43Å; D794-R796 VanDerWaalsContact OD1-CG 3.32Å; D794-R796 WeakPolarHBondContact OD1-CG 3.44Å; D794-R796 IonicContact OD1-CZ 2.81Å; D794-R796 PolarHBondContact OD1-N 3.01Å; D794-R796 IonicContact OD1-NE 2.76Å; D794-R796 PolarHBondContact OD1-NE 3.12Å; D794-R796 IonicContact OD1-NH2 3.91Å; D794-R796 IonicContact OD2-CZ 2.73Å; D794-R796 VanDerWaalsContact OD2-CZ 3.27Å; D794-R796 IonicContact OD2-NE 2.63Å; D794-R796 PolarHBondContact OD2-NE 3.23Å; D794-R796 VanDerWaalsContact OD2-NE 3.09Å; D794-R796 IonicContact OD2-NH2 2.6Å; D794-R796 PolarHBondContact OD2-NH2 2.92Å
797V92.6Very high92.4Very high42 Ų4242.1 Ų42.126%0.25524%0.235SC..G310 helixtrans-111.97.1179.3-57.60000113.4P760 A761 L764 D794 P795P760-V797 HydrophobicContact CB-CB 4.04Å; P760-V797 HydrophobicContact CB-CG1 4.47Å; A761-V797 HydrophobicContact CB-CG2 4.07Å; A761-V797 PolarHBondContact N-O 3.16Å; L764-V797 HydrophobicContact CD2-CG2 4.35Å; D794-V797 HydrophobicContact CB-CG2 4.27Å; D794-V797 WeakPolarHBondContact O-CG2 3.41Å; D794-V797 PolarHBondContact O-N 3.17Å; P795-V797 PolarHBondContact O-N 3.4Å
798T92.9Very high92.5Very high0 Ų041.3 Ų41.30%023%0.23CC..THydrogen-bonded Turntrans-133.525.8-171.754.10000113.1M193 A761 I793 D794 P795 G800 I801M193-T798 HydrophobicContact CE-CG2 3.61Å; M193-T798 VanDerWaalsContact SD-CA 3.54Å; M193-T798 VanDerWaalsContact SD-CB 3.53Å; M193-T798 HydrophobicContact SD-CG2 3.81Å; A761-T798 HydrophobicContact CB-CG2 3.95Å; I793-T798 HydrophobicContact CD1-CG2 3.56Å; I793-T798 HydrophobicContact CG1-CG2 3.78Å; D794-T798 PolarHBondContact O-OG1 3.5Å; P795-T798 VanDerWaalsContact CA-OG1 3.22Å; P795-T798 WeakPolarHBondContact CA-OG1 3.49Å; P795-T798 PolarHBondContact O-N 2.86Å; P795-T798 PolarHBondContact O-OG1 3.18Å; T798-G800 PolarHBondContact O-N 3.19Å; T798-I801 WeakPolarHBondContact O-CB 3.3Å; T798-I801 VanDerWaalsContact O-CG1 3.31Å; T798-I801 WeakPolarHBondContact O-CG1 3.47Å; T798-I801 PolarHBondContact O-N 3.41Å; T798-I801 PolarHBondContact OG1-O 2.89Å
799F91.4Very high92.5Very high86 Ų8645.4 Ų45.438%0.37723%0.234SC..THydrogen-bonded Turntrans56.329.2-178.2-45.4-77.7000115.1R98 M193 H759R98-F799 HydrophobicContact CB-CB 4.47Å; R98-F799 HydrophobicContact CB-CD2 3.91Å; R98-F799 HydrophobicContact CB-CE2 4.27Å; R98-F799 HydrophobicContact CB-CG 4.12Å; R98-F799 HydrophobicContact CG-CB 4.44Å; R98-F799 HydrophobicContact CG-CD1 4.23Å; R98-F799 HydrophobicContact CG-CD2 4.37Å; R98-F799 HydrophobicContact CG-CG 4.11Å; M193-F799 HydrophobicContact SD-CD2 4.29Å; H759-F799 AromaticContact NE2-CE2 3.46Å; H759-F799 WeakPolarHBondContact NE2-CE2 3.48Å; H759-F799 AromaticContact NE2-CZ 3.75Å
800G93.1Very high92.4Very high10 Ų1045.5 Ų45.510%0.10324%0.242CC..THydrogen-bonded Turntrans92.6-8.9-176.400000114.9T221 P795 T798 S802T221-G800 WeakPolarHBondContact O-CA 3.24Å; T221-G800 PolarHBondContact OG1-O 3.13Å; P795-G800 WeakPolarHBondContact O-CA 3.29Å; P795-G800 PolarHBondContact O-N 3.49Å; T798-G800 PolarHBondContact O-N 3.19Å; G800-S802 PolarHBondContact O-N 3.29Å
801I95.6Very high92.3Very high9 Ų945.6 Ų45.65%0.04624%0.241CC..  trans-66.1132.4177.4-58.6-61.7000110.5V99 F195 F212 Q216 T798 F839V99-I801 HydrophobicContact CG2-CD1 4.44Å; V99-I801 HydrophobicContact CG2-CG1 4.29Å; F195-I801 HydrophobicContact CZ-CG2 4Å; F212-I801 HydrophobicContact CE1-CD1 4.38Å; F212-I801 HydrophobicContact CZ-CD1 3.94Å; F212-I801 HydrophobicContact CZ-CG2 4.43Å; Q216-I801 HydrophobicContact CG-CD1 4.11Å; T798-I801 WeakPolarHBondContact O-CB 3.3Å; T798-I801 VanDerWaalsContact O-CG1 3.31Å; T798-I801 WeakPolarHBondContact O-CG1 3.47Å; T798-I801 PolarHBondContact O-N 3.41Å; T798-I801 PolarHBondContact OG1-O 2.89Å; I801-F839 HydrophobicContact CG2-CZ 4.42Å
802S95.3Very high92.3Very high5 Ų547.2 Ų47.24%0.03524%0.24CC..  trans-126.9162.1-173.664.30000110.9Q216 N219 G800 F839 P842Q216-S802 PolarHBondContact NE2-O 2.86Å; Q216-S802 PolarHBondContact OE1-O 3.47Å; Q216-S802 PolarHBondContact OE1-OG 3.16Å; Q216-S802 VanDerWaalsContact OE1-OG 3.06Å; N219-S802 WeakPolarHBondContact ND2-CB 3.15Å; N219-S802 PolarHBondContact ND2-OG 3.29Å; G800-S802 PolarHBondContact O-N 3.29Å; S802-F839 WeakPolarHBondContact O-CZ 3.46Å; S802-P842 WeakPolarHBondContact O-CD 3.35Å; S802-P842 WeakPolarHBondContact OG-CG 3.39Å
803G95.7Very high92.2Very high9 Ų946.6 Ų46.69%0.09323%0.225CC..  trans150.6-170.7-176.200000112.3A792 I793 S840A792-G803 WeakPolarHBondContact CA-O 3.47Å; I793-G803 PolarHBondContact N-O 2.99Å; G803-S840 CarbonylContact C-O 3.59Å; G803-S840 VanDerWaalsContact CA-O 3.27Å; G803-S840 WeakPolarHBondContact CA-O 3.45Å
804L95.9Very high92.1Very high47 Ų4748.2 Ų48.225%0.24624%0.236CC..EExtended strand (participates in β ladder)trans-110.6141.1177.4-61.4176.7000110.2I786 A790 S791 A792 W806 F839 S840 Q843I786-L804 HydrophobicContact CG2-CD1 3.94Å; A790-L804 HydrophobicContact CB-CB 4.16Å; S791-L804 CarbonylContact O-C 3.57Å; S791-L804 WeakPolarHBondContact O-CA 3.42Å; A792-L804 HydrophobicContact CB-CD2 4.33Å; L804-W806 HydrophobicContact CB-CZ3 4.49Å; L804-F839 CarbonylContact O-C 3.55Å; L804-F839 WeakPolarHBondContact O-CA 3.5Å; L804-S840 PolarHBondContact N-O 3.49Å; L804-S840 PolarHBondContact O-N 3.09Å; L804-Q843 HydrophobicContact CD1-CG 4.39Å
805I95.4Very high92.1Very high1 Ų148.7 Ų48.71%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-133.6145-17952.3169.4000112.4L753 L765 L768 S791 I793 I837 Y838 F839L753-I805 HydrophobicContact CD2-CG2 4.43Å; L765-I805 HydrophobicContact CD2-CD1 3.51Å; L768-I805 HydrophobicContact CD1-CD1 3.56Å; L768-I805 HydrophobicContact CD1-CG1 3.88Å; S791-I805 PolarHBondContact N-O 3.17Å; S791-I805 VanDerWaalsContact O-CG1 3.27Å; S791-I805 WeakPolarHBondContact O-CG1 3.35Å; S791-I805 PolarHBondContact O-N 3.33Å; I793-I805 HydrophobicContact CB-CD1 3.95Å; I793-I805 HydrophobicContact CB-CG1 4.17Å; I793-I805 HydrophobicContact CB-CG2 4.29Å; I793-I805 HydrophobicContact CD1-CD1 4.09Å; I793-I805 HydrophobicContact CD1-CG2 4.1Å; I793-I805 HydrophobicContact CG1-CD1 3.88Å; I805-I837 HydrophobicContact CB-CD1 4.04Å; I805-I837 HydrophobicContact CB-CG1 4.34Å; I805-I837 HydrophobicContact CB-CG2 4.43Å; I805-I837 HydrophobicContact CD1-CD1 4.31Å; I805-I837 HydrophobicContact CG2-CG2 4.15Å; I805-Y838 VanDerWaalsContact CA-O 3.27Å; I805-Y838 WeakPolarHBondContact CA-O 3.33Å; I805-F839 HydrophobicContact CG2-CD2 3.91Å
806W93.8Very high92Very high16 Ų1649 Ų496%0.06126%0.255CS..EExtended strand (participates in β ladder)trans-155.6149.8176.663.5100.6000112.3S750 I786 P787 W789 A790 L804 N808 I837 Y838S750-W806 WeakPolarHBondContact OG-CZ2 3.22Å; I786-W806 HydrophobicContact CB-CH2 4.48Å; I786-W806 HydrophobicContact CG1-CH2 4.14Å; I786-W806 HydrophobicContact CG2-CH2 4.37Å; I786-W806 HydrophobicContact CG2-CZ3 4.11Å; P787-W806 VanDerWaalsContact CD-CE2 3.42Å; P787-W806 HydrophobicContact CG-CB 4.03Å; P787-W806 HydrophobicContact CG-CD2 3.82Å; P787-W806 HydrophobicContact CG-CG 3.55Å; W789-W806 HydrophobicContact CE3-CB 4.39Å; W789-W806 HydrophobicContact CH2-CB 3.9Å; W789-W806 HydrophobicContact CH2-CG 4.46Å; W789-W806 HydrophobicContact CZ3-CB 3.61Å; A790-W806 HydrophobicContact CB-CB 4.46Å; A790-W806 HydrophobicContact CB-CD2 4.43Å; A790-W806 HydrophobicContact CB-CE3 3.86Å; L804-W806 HydrophobicContact CB-CZ3 4.49Å; W806-N808 PolarHBondContact O-N 3.41Å; W806-I837 VanDerWaalsContact C-CG1 3.43Å; W806-I837 WeakPolarHBondContact O-CG1 3.4Å; W806-Y838 AromaticContact CD1-CD2 3.71Å; W806-Y838 VanDerWaalsContact CE2-CB 3.4Å; W806-Y838 HydrophobicContact CZ2-CG 4.35Å; W806-Y838 PolarHBondContact N-O 3.38Å; W806-Y838 AromaticContact NE1-CD2 3.35Å; W806-Y838 AromaticContact NE1-CG 3.78Å; W806-Y838 WeakPolarHBondContact O-CB 3.33Å; W806-Y838 PolarHBondContact O-N 3.29Å
807P92.2Very high92.1Very high17 Ų1746.6 Ų46.611%0.1125%0.246CC..  trans-54125.3-177.6-36.645.1000115.5L768 Y769 S772L768-P807 HydrophobicContact CB-CG 4.01Å; Y769-P807 HydrophobicContact CD1-CB 3.9Å; Y769-P807 HydrophobicContact CD1-CG 4.38Å; Y769-P807 HydrophobicContact CD2-CG 4.43Å; Y769-P807 HydrophobicContact CE1-CB 3.55Å; Y769-P807 HydrophobicContact CE1-CG 4.4Å; Y769-P807 HydrophobicContact CE2-CB 4.21Å; Y769-P807 HydrophobicContact CE2-CG 4.44Å; Y769-P807 HydrophobicContact CG-CB 4.37Å; Y769-P807 HydrophobicContact CG-CG 4.4Å; S772-P807 WeakPolarHBondContact OG-CG 3.45Å
808N88.1Confident92.1Very high2 Ų244.9 Ų44.91%0.01124%0.235CC..  trans-77.3123.3166.3176.61000110.7Q752 Y769 W806 T810 T811 Y838Q752-N808 PolarHBondContact OE1-ND2 3.39Å; Y769-N808 WeakPolarHBondContact CE1-O 3.22Å; Y769-N808 WeakPolarHBondContact OH-CA 3.28Å; Y769-N808 PolarHBondContact OH-N 3.32Å; Y769-N808 PolarHBondContact OH-O 3.43Å; W806-N808 PolarHBondContact O-N 3.41Å; N808-T810 PolarHBondContact ND2-OG1 3.23Å; N808-T810 PolarHBondContact O-N 3.08Å; N808-T810 PolarHBondContact OD1-N 3.43Å; N808-T810 PolarHBondContact OD1-OG1 3.25Å; N808-T811 WeakPolarHBondContact O-CB 3.33Å; N808-T811 PolarHBondContact O-N 3Å; N808-Y838 VanDerWaalsContact CA-CD2 3.49Å; N808-Y838 VanDerWaalsContact CA-CE2 3.49Å; N808-Y838 HydrophobicContact CB-CD1 4.27Å; N808-Y838 HydrophobicContact CB-CD2 3.8Å; N808-Y838 HydrophobicContact CB-CE1 4.26Å; N808-Y838 HydrophobicContact CB-CE2 3.85Å; N808-Y838 HydrophobicContact CB-CG 4.03Å; N808-Y838 PolarHBondContact OD1-OH 3.16Å
809K84Confident92.1Very high192 Ų19247.8 Ų47.884%0.83525%0.254SS*.THydrogen-bonded Turntrans-62.7-20.6178-64.5-179.4179.9177.10113.5
810T84.5Confident91.9Very high73 Ų7344.7 Ų44.745%0.44824%0.243SC..THydrogen-bonded Turntrans-103.514.8-17866.90000114.1N808N808-T810 PolarHBondContact ND2-OG1 3.23Å; N808-T810 PolarHBondContact O-N 3.08Å; N808-T810 PolarHBondContact OD1-N 3.43Å; N808-T810 PolarHBondContact OD1-OG1 3.25Å
811T89.3Confident91.2Very high26 Ų2646.1 Ų46.116%0.1625%0.254CS..  trans-69.3152.5-179-152.60000112.6Y180 Y769 N808 L813 S836Y180-T811 PolarHBondContact OH-OG1 3.4Å; Y769-T811 HydrophobicContact CD1-CG2 4.09Å; Y769-T811 HydrophobicContact CE1-CG2 3.29Å; Y769-T811 HydrophobicContact CE2-CG2 4.25Å; Y769-T811 VanDerWaalsContact OH-CB 3.24Å; Y769-T811 WeakPolarHBondContact OH-CB 3.44Å; Y769-T811 WeakPolarHBondContact OH-CG2 3.17Å; N808-T811 WeakPolarHBondContact O-CB 3.33Å; N808-T811 PolarHBondContact O-N 3Å; T811-L813 HydrophobicContact CG2-CD2 3.75Å; T811-L813 HydrophobicContact CG2-CG 4.1Å; T811-S836 WeakPolarHBondContact OG1-CB 3.44Å; T811-S836 PolarHBondContact OG1-N 3.19Å; T811-S836 PolarHBondContact OG1-O 3.05Å
812Y91.8Very high90.6Very high82 Ų8245.8 Ų45.832%0.32225%0.252SS..  trans-107.5106.9165.5-66.2-81.7000107.7Y180 S816 V818 P819Y180-Y812 HydrophobicContact CD2-CD2 4.25Å; Y180-Y812 WeakPolarHBondContact CE1-O 3.37Å; Y180-Y812 AromaticContact CE2-CD2 3.71Å; Y180-Y812 HydrophobicContact CE2-CD2 3.71Å; Y180-Y812 PolarHBondContact OH-N 3.15Å; Y812-S816 WeakPolarHBondContact CB-OG 3.11Å; Y812-V818 HydrophobicContact CD1-CG2 4.3Å; Y812-V818 HydrophobicContact CD2-CB 4.48Å; Y812-V818 HydrophobicContact CD2-CG1 3.8Å; Y812-V818 HydrophobicContact CD2-CG2 4.15Å; Y812-V818 HydrophobicContact CE2-CG1 3.81Å; Y812-V818 HydrophobicContact CG-CB 4.41Å; Y812-V818 HydrophobicContact CG-CG1 4.2Å; Y812-V818 HydrophobicContact CG-CG2 3.83Å; Y812-P819 HydrophobicContact CE1-CG 4.45Å; Y812-P819 WeakPolarHBondContact OH-CD 3.3Å
813L91.9Very high89.6Confident67 Ų6750 Ų5035%0.35128%0.28SS..  trans-65.6151.8-178.7-65.6178.7000111.4Y769 T811 G815 S816Y769-L813 HydrophobicContact CD1-CD2 4Å; Y769-L813 HydrophobicContact CD2-CD2 4.06Å; Y769-L813 HydrophobicContact CE1-CD2 4.42Å; Y769-L813 HydrophobicContact CE2-CD2 4.49Å; Y769-L813 HydrophobicContact CG-CD2 3.8Å; T811-L813 HydrophobicContact CG2-CD2 3.75Å; T811-L813 HydrophobicContact CG2-CG 4.1Å; L813-G815 PolarHBondContact O-N 2.95Å; L813-S816 PolarHBondContact N-OG 3.02Å; L813-S816 VanDerWaalsContact O-CB 3.3Å; L813-S816 WeakPolarHBondContact O-CB 3.48Å; L813-S816 PolarHBondContact O-N 3.48Å; L813-S816 PolarHBondContact O-OG 2.78Å
814P92Very high88.7Confident40 Ų4053.7 Ų53.726%0.2632%0.317SS..THydrogen-bonded Turntrans-51.5134.7174.8-27.134.9000111.9A757 S832 V835A757-P814 HydrophobicContact CB-CB 4.11Å; A757-P814 HydrophobicContact CB-CG 3.85Å; P814-S832 CarbonylContact C-O 3.56Å; P814-S832 WeakPolarHBondContact CA-O 3.43Å; P814-V835 HydrophobicContact CG-CB 4.23Å
815G92.4Very high87.8Confident56 Ų5655.8 Ų55.858%0.57733%0.326SS*.THydrogen-bonded Turntrans95.5-18.8-172.300000115.1L813 S832L813-G815 PolarHBondContact O-N 2.95Å; G815-S832 PolarHBondContact N-O 2.79Å
816S92.9Very high87Confident37 Ų3757.3 Ų57.326%0.25934%0.335SS..SBendtrans-82.6156.4-179.567.40000113.7Y812 L813 V831 S832Y812-S816 WeakPolarHBondContact CB-OG 3.11Å; L813-S816 PolarHBondContact N-OG 3.02Å; L813-S816 VanDerWaalsContact O-CB 3.3Å; L813-S816 WeakPolarHBondContact O-CB 3.48Å; L813-S816 PolarHBondContact O-N 3.48Å; L813-S816 PolarHBondContact O-OG 2.78Å; S816-V831 CarbonylContact O-C 3.59Å; S816-V831 WeakPolarHBondContact O-CA 3.42Å; S816-S832 PolarHBondContact O-N 2.92Å
817R93.9Very high86.7Confident162 Ų16261 Ų6161%0.61136%0.361SS*.PPolyproline II helixtrans-79.2130.2170.3174-177.5170.5-153.76.1109.6D828 L829R817-D828 IonicContact CZ-OD2 3.21Å; R817-D828 IonicContact NE-OD2 3.03Å; R817-D828 PolarHBondContact NE-OD2 2.97Å; R817-D828 IonicContact NH2-OD2 2.63Å; R817-D828 PolarHBondContact NH2-OD2 3.19Å; R817-L829 CarbonylContact C-O 3.55Å; R817-L829 WeakPolarHBondContact CA-O 3.44Å
818V93.1Very high86.6Confident5 Ų562.8 Ų62.83%0.0337%0.369CS..BIsolated β-bridgetrans-99.2116.4169.2-168.50000108Y180 Y812 L829Y180-V818 HydrophobicContact CD1-CG2 4.3Å; Y180-V818 HydrophobicContact CD2-CG1 4.25Å; Y180-V818 HydrophobicContact CD2-CG2 4.42Å; Y180-V818 HydrophobicContact CG-CG2 4.06Å; Y812-V818 HydrophobicContact CD1-CG2 4.3Å; Y812-V818 HydrophobicContact CD2-CB 4.48Å; Y812-V818 HydrophobicContact CD2-CG1 3.8Å; Y812-V818 HydrophobicContact CD2-CG2 4.15Å; Y812-V818 HydrophobicContact CE2-CG1 3.81Å; Y812-V818 HydrophobicContact CG-CB 4.41Å; Y812-V818 HydrophobicContact CG-CG1 4.2Å; Y812-V818 HydrophobicContact CG-CG2 3.83Å; V818-L829 HydrophobicContact CB-CB 4.03Å; V818-L829 HydrophobicContact CB-CD2 4.48Å; V818-L829 HydrophobicContact CG2-CB 4.4Å; V818-L829 HydrophobicContact CG2-CD2 4.05Å; V818-L829 PolarHBondContact N-O 2.94Å; V818-L829 PolarHBondContact O-N 2.74Å
819P91Very high86.8Confident62 Ų6263 Ų6340%0.40337%0.37SS..PPolyproline II helixtrans-66.9145.3174.129.9-33.9000110Y812 A821Y812-P819 HydrophobicContact CE1-CG 4.45Å; Y812-P819 WeakPolarHBondContact OH-CD 3.3Å; P819-A821 PolarHBondContact O-N 3.16Å
820S87.4Confident87.1Confident21 Ų2162.4 Ų62.415%0.14737%0.368CS..PPolyproline II helixtrans-69.9127.3172.6-175.70000110.8V822 V826 D828S820-V822 PolarHBondContact O-N 2.8Å; S820-V822 VanDerWaalsContact OG-C 3.25Å; S820-V822 PolarHBondContact OG-N 3.11Å; S820-V822 PolarHBondContact OG-O 3.1Å; S820-V826 WeakPolarHBondContact CB-O 3.35Å; S820-V826 PolarHBondContact OG-O 2.81Å; S820-D828 WeakPolarHBondContact CB-OD1 3.33Å; S820-D828 PolarHBondContact N-OD1 2.7Å
821A78.4Confident87.6Confident39 Ų3962.7 Ų62.732%0.32237%0.369SS..SBendtrans-75.1-10.1167.300000112.8V173 A174 P819V173-A821 HydrophobicContact CG1-CB 3.95Å; A174-A821 HydrophobicContact CB-CB 3.97Å; P819-A821 PolarHBondContact O-N 3.16Å
822V84.1Confident87.8Confident2 Ų261.5 Ų61.51%0.01236%0.362CS..SBendtrans-129.169.2-178.2-163.10000109.9S77 F80 F84 A174 S820 H825 V826S77-V822 WeakPolarHBondContact O-CG1 3.34Å; F80-V822 HydrophobicContact CB-CG1 4.47Å; F80-V822 HydrophobicContact CB-CG2 3.9Å; F80-V822 HydrophobicContact CD2-CG2 3.97Å; F80-V822 HydrophobicContact CG-CG2 4.43Å; F84-V822 HydrophobicContact CE2-CG2 3.89Å; F84-V822 HydrophobicContact CZ-CG2 4.17Å; A174-V822 HydrophobicContact CB-CG2 4.03Å; S820-V822 PolarHBondContact O-N 2.8Å; S820-V822 VanDerWaalsContact OG-C 3.25Å; S820-V822 PolarHBondContact OG-N 3.11Å; S820-V822 PolarHBondContact OG-O 3.1Å; V822-H825 HydrophobicContact CG1-CB 3.99Å; V822-H825 PolarHBondContact O-N 3Å; V822-V826 HydrophobicContact CB-CB 4.38Å; V822-V826 HydrophobicContact CB-CG2 4.3Å; V822-V826 PolarHBondContact O-N 2.9Å
823P74.7Confident87.9Confident95 Ų9561.6 Ų61.662%0.61737%0.365SS*.THydrogen-bonded Turntrans-55.9141.3179.2-23.234.6000111.6H825P823-H825 VanDerWaalsContact C-N 3.33Å; P823-H825 PolarHBondContact O-N 3.3Å
824G75.8Confident88.1Confident85 Ų8558.4 Ų58.488%0.87635%0.349SS*.THydrogen-bonded Turntrans90.7-40.4-177.700000114.4
825H77.5Confident88.2Confident92 Ų9256.5 Ų56.543%0.42634%0.336SS..THydrogen-bonded Turntrans-97.8-37.2179.2-60.9-97.4000113.1A81 V822 P823A81-H825 HydrophobicContact CB-CB 4.1Å; V822-H825 HydrophobicContact CG1-CB 3.99Å; V822-H825 PolarHBondContact O-N 3Å; P823-H825 VanDerWaalsContact C-N 3.33Å; P823-H825 PolarHBondContact O-N 3.3Å
826V79.3Confident88.3Confident33 Ų3353.8 Ų53.820%0.231%0.309CS..SBendtrans-119.9124.9177.7-1780000108.9F84 S820 V822F84-V826 HydrophobicContact CD2-CG2 3.97Å; F84-V826 HydrophobicContact CE2-CG2 3.91Å; S820-V826 WeakPolarHBondContact CB-O 3.35Å; S820-V826 PolarHBondContact OG-O 2.81Å; V822-V826 HydrophobicContact CB-CB 4.38Å; V822-V826 HydrophobicContact CB-CG2 4.3Å; V822-V826 PolarHBondContact O-N 2.9Å
827P86Confident88.5Confident92 Ų9252 Ų5260%0.59730%0.297SS*.  trans-79.9149.9174.932.4-34.6000111.3
828D90.2Very high88.6Confident55 Ų5547.1 Ų47.129%0.29428%0.278SS..  trans-49.7142.8174.5-68.4-2.1000113.3R817 S820 K830R817-D828 IonicContact CZ-OD2 3.21Å; R817-D828 IonicContact NE-OD2 3.03Å; R817-D828 PolarHBondContact NE-OD2 2.97Å; R817-D828 IonicContact NH2-OD2 2.63Å; R817-D828 PolarHBondContact NH2-OD2 3.19Å; S820-D828 WeakPolarHBondContact CB-OD1 3.33Å; S820-D828 PolarHBondContact N-OD1 2.7Å; D828-K830 PolarHBondContact O-N 3.44Å
829L91.8Very high88.7Confident6 Ų646.9 Ų46.93%0.03128%0.277CS..BIsolated β-bridgetrans-83.7103.8169.3-173.166.2000108.6Y180 T184 K185 R817 V818 V831Y180-L829 WeakPolarHBondContact O-CD2 3.33Å; T184-L829 HydrophobicContact CG2-CD1 4.01Å; T184-L829 HydrophobicContact CG2-CD2 4.47Å; K185-L829 HydrophobicContact CG-CD1 4.43Å; R817-L829 CarbonylContact C-O 3.55Å; R817-L829 WeakPolarHBondContact CA-O 3.44Å; V818-L829 HydrophobicContact CB-CB 4.03Å; V818-L829 HydrophobicContact CB-CD2 4.48Å; V818-L829 HydrophobicContact CG2-CB 4.4Å; V818-L829 HydrophobicContact CG2-CD2 4.05Å; V818-L829 PolarHBondContact N-O 2.94Å; V818-L829 PolarHBondContact O-N 2.74Å; L829-V831 WeakPolarHBondContact CG-O 3.4Å; L829-V831 PolarHBondContact O-N 2.91Å
830K91.9Very high88.9Confident180 Ų18045 Ų4578%0.78327%0.265SS*.SBendtrans-54.3-38.7-177.8-66.4-176178.7-179.70113.4D828D828-K830 PolarHBondContact O-N 3.44Å
831V93.8Very high89.3Confident79 Ų7944.9 Ų44.948%0.47926%0.263SS..SBendtrans-144.7123.6-179.8-177.20000107.9S816 L829S816-V831 CarbonylContact O-C 3.59Å; S816-V831 WeakPolarHBondContact O-CA 3.42Å; L829-V831 WeakPolarHBondContact CG-O 3.4Å; L829-V831 PolarHBondContact O-N 2.91Å
832S93.6Very high90.1Very high1 Ų143.7 Ų43.71%0.00725%0.252CS..  trans-80.8136.3170.3179.60000111.1Y180 P814 G815 S816 A834Y180-S832 WeakPolarHBondContact CD1-OG 3.46Å; P814-S832 CarbonylContact C-O 3.56Å; P814-S832 WeakPolarHBondContact CA-O 3.43Å; G815-S832 PolarHBondContact N-O 2.79Å; S816-S832 PolarHBondContact O-N 2.92Å; S832-A834 PolarHBondContact OG-N 3.39Å; S832-A834 VanDerWaalsContact OG-N 3.1Å; S832-A834 PolarHBondContact OG-O 3.28Å; S832-A834 VanDerWaalsContact OG-O 3.11Å
833E94.8Very high90.4Very high84 Ų8448.6 Ų48.639%0.39328%0.275SS..  trans-104.15165.8-66.4-174.8162.100112.6T184 R756 A757T184-E833 HydrophobicContact CG2-CB 4.02Å; T184-E833 HydrophobicContact CG2-CG 3.91Å; T184-E833 PolarHBondContact OG1-N 3.03Å; T184-E833 VanDerWaalsContact OG1-N 3.12Å; R756-E833 CarbonylContact C-O 3.54Å; R756-E833 WeakPolarHBondContact CA-O 3.39Å; R756-E833 IonicContact CZ-OE2 3.27Å; R756-E833 IonicContact NH1-OE2 2.7Å; R756-E833 PolarHBondContact NH1-OE2 2.85Å; R756-E833 IonicContact NH2-OE2 3.7Å; R756-E833 PolarHBondContact NH2-OE2 3.38Å; A757-E833 WeakPolarHBondContact CB-O 3.32Å; A757-E833 PolarHBondContact N-O 3.34Å
834A94.9Very high91.2Very high0 Ų046.7 Ų46.70%026%0.255CS..EExtended strand (participates in β ladder)trans-108.2155.6-178.600000113.1Y180 L183 C755 S832Y180-A834 HydrophobicContact CD1-CB 3.96Å; Y180-A834 HydrophobicContact CE1-CB 4.34Å; L183-A834 HydrophobicContact CB-CB 3.88Å; L183-A834 HydrophobicContact CD1-CB 3.8Å; C755-A834 VanDerWaalsContact O-CA 3.32Å; C755-A834 WeakPolarHBondContact O-CA 3.1Å; C755-A834 WeakPolarHBondContact O-CB 3.39Å; S832-A834 PolarHBondContact OG-N 3.39Å; S832-A834 VanDerWaalsContact OG-N 3.1Å; S832-A834 PolarHBondContact OG-O 3.28Å; S832-A834 VanDerWaalsContact OG-O 3.11Å
835V94.5Very high91.9Very high0 Ų047.3 Ų47.30%024%0.244CC..EExtended strand (participates in β ladder)trans-120.3135173.658.30000109F754 C755 L765 Y769 P814F754-V835 WeakPolarHBondContact CA-O 3.5Å; C755-V835 PolarHBondContact N-O 3.03Å; C755-V835 PolarHBondContact O-N 3.35Å; L765-V835 HydrophobicContact CB-CG1 4Å; L765-V835 HydrophobicContact CB-CG2 4.28Å; L765-V835 HydrophobicContact CD1-CG1 4.27Å; Y769-V835 HydrophobicContact CE2-CG2 4.38Å; P814-V835 HydrophobicContact CG-CB 4.23Å
836S95.6Very high92.2Very high0 Ų050.2 Ų50.20%026%0.255CS..EExtended strand (participates in β ladder)trans-109.4147.4171.5-176.30000110.7Y180 L753 F754 Y769 T811Y180-S836 WeakPolarHBondContact OH-CB 3.33Å; L753-S836 CarbonylContact O-C 3.57Å; L753-S836 VanDerWaalsContact O-CA 3.3Å; L753-S836 WeakPolarHBondContact O-CA 3.43Å; F754-S836 VanDerWaalsContact CD1-CB 3.46Å; F754-S836 WeakPolarHBondContact CE1-OG 3.23Å; F754-S836 VanDerWaalsContact CZ-OG 3.27Å; F754-S836 WeakPolarHBondContact CZ-OG 3.45Å; Y769-S836 WeakPolarHBondContact CE2-O 3.41Å; Y769-S836 PolarHBondContact OH-O 3.42Å; T811-S836 WeakPolarHBondContact OG1-CB 3.44Å; T811-S836 PolarHBondContact OG1-N 3.19Å; T811-S836 PolarHBondContact OG1-O 3.05Å
837I95.5Very high92.6Very high0 Ų051.9 Ų51.90%028%0.279CS..EExtended strand (participates in β ladder)trans-145.4155.7176.1-161.1158.5000109.9Q752 L753 L765 L768 Y769 I805 W806Q752-I837 CarbonylContact C-O 3.49Å; Q752-I837 WeakPolarHBondContact CA-O 3.4Å; L753-I837 HydrophobicContact CB-CG2 3.91Å; L753-I837 HydrophobicContact CD2-CG2 4.15Å; L753-I837 HydrophobicContact CG-CG2 4.17Å; L753-I837 PolarHBondContact N-O 2.94Å; L753-I837 PolarHBondContact O-N 3.08Å; L765-I837 HydrophobicContact CD1-CG2 3.94Å; L765-I837 HydrophobicContact CD2-CD1 4.37Å; L765-I837 HydrophobicContact CD2-CG2 4.12Å; L765-I837 HydrophobicContact CG-CG2 4.49Å; L768-I837 HydrophobicContact CB-CD1 4.33Å; L768-I837 HydrophobicContact CD1-CD1 3.52Å; Y769-I837 HydrophobicContact CE2-CG1 4.5Å; I805-I837 HydrophobicContact CB-CD1 4.04Å; I805-I837 HydrophobicContact CB-CG1 4.34Å; I805-I837 HydrophobicContact CB-CG2 4.43Å; I805-I837 HydrophobicContact CD1-CD1 4.31Å; I805-I837 HydrophobicContact CG2-CG2 4.15Å; W806-I837 VanDerWaalsContact C-CG1 3.43Å; W806-I837 WeakPolarHBondContact O-CG1 3.4Å
838Y95.9Very high92.9Very high58 Ų5851.1 Ų51.123%0.22727%0.267CS..EExtended strand (participates in β ladder)trans-73.7148.1167.6-71.1-55.8000110.6D751 Q752 I805 W806 N808D751-Y838 CarbonylContact O-C 3.59Å; D751-Y838 WeakPolarHBondContact O-CA 3.28Å; Q752-Y838 HydrophobicContact CG-CD1 3.83Å; Q752-Y838 HydrophobicContact CG-CE1 3.93Å; I805-Y838 VanDerWaalsContact CA-O 3.27Å; I805-Y838 WeakPolarHBondContact CA-O 3.33Å; W806-Y838 AromaticContact CD1-CD2 3.71Å; W806-Y838 VanDerWaalsContact CE2-CB 3.4Å; W806-Y838 HydrophobicContact CZ2-CG 4.35Å; W806-Y838 PolarHBondContact N-O 3.38Å; W806-Y838 AromaticContact NE1-CD2 3.35Å; W806-Y838 AromaticContact NE1-CG 3.78Å; W806-Y838 WeakPolarHBondContact O-CB 3.33Å; W806-Y838 PolarHBondContact O-N 3.29Å; N808-Y838 VanDerWaalsContact CA-CD2 3.49Å; N808-Y838 VanDerWaalsContact CA-CE2 3.49Å; N808-Y838 HydrophobicContact CB-CD1 4.27Å; N808-Y838 HydrophobicContact CB-CD2 3.8Å; N808-Y838 HydrophobicContact CB-CE1 4.26Å; N808-Y838 HydrophobicContact CB-CE2 3.85Å; N808-Y838 HydrophobicContact CB-CG 4.03Å; N808-Y838 PolarHBondContact OD1-OH 3.16Å
839F96.3Very high93.1Very high1 Ų150.9 Ų50.90%0.00427%0.267CS..EExtended strand (participates in β ladder)trans-133.3148.3-178.8176.8-97000110.7F195 F212 D751 L753 I801 S802 L804 I805F195-F839 AromaticContact CD1-CD1 3.93Å; F195-F839 HydrophobicContact CD1-CD1 3.93Å; F195-F839 HydrophobicContact CD1-CE1 4.24Å; F195-F839 HydrophobicContact CD1-CG 4.26Å; F195-F839 AromaticContact CE1-CD1 3.68Å; F195-F839 HydrophobicContact CE1-CD1 3.68Å; F195-F839 AromaticContact CE1-CD2 3.98Å; F195-F839 HydrophobicContact CE1-CD2 3.98Å; F195-F839 AromaticContact CE1-CE1 3.74Å; F195-F839 HydrophobicContact CE1-CE1 3.74Å; F195-F839 HydrophobicContact CE1-CE2 4.04Å; F195-F839 AromaticContact CE1-CG 3.81Å; F195-F839 HydrophobicContact CE1-CG 3.81Å; F195-F839 AromaticContact CE1-CZ 3.92Å; F195-F839 HydrophobicContact CE1-CZ 3.92Å; F212-F839 HydrophobicContact CD2-CE1 4.31Å; F212-F839 HydrophobicContact CE2-CE1 4.11Å; F212-F839 HydrophobicContact CE2-CZ 4.32Å; D751-F839 HydrophobicContact CB-CB 4.34Å; D751-F839 HydrophobicContact CB-CD1 4.17Å; D751-F839 PolarHBondContact O-N 3.35Å; L753-F839 HydrophobicContact CB-CB 3.99Å; L753-F839 HydrophobicContact CD2-CD2 4.49Å; I801-F839 HydrophobicContact CG2-CZ 4.42Å; S802-F839 WeakPolarHBondContact O-CZ 3.46Å; L804-F839 CarbonylContact O-C 3.55Å; L804-F839 WeakPolarHBondContact O-CA 3.5Å; I805-F839 HydrophobicContact CG2-CD2 3.91Å
840S96Very high93.3Very high22 Ų2251.4 Ų51.415%0.15427%0.269CS..EExtended strand (participates in β ladder)trans-140.6141.1163.7-170.70000109.7I786 G803 L804 Q843I786-S840 VanDerWaalsContact CD1-OG 3.29Å; I786-S840 WeakPolarHBondContact CD1-OG 3.43Å; G803-S840 CarbonylContact C-O 3.59Å; G803-S840 VanDerWaalsContact CA-O 3.27Å; G803-S840 WeakPolarHBondContact CA-O 3.45Å; L804-S840 PolarHBondContact N-O 3.49Å; L804-S840 PolarHBondContact O-N 3.09Å; S840-Q843 PolarHBondContact OG-NE2 3.36Å
841D95.1Very high93.5Very high18 Ų1845.5 Ų45.510%0.09625%0.249CC..PPolyproline II helixtrans-59.1164.9178.1-81.5-57.7000113.9F212 R215 Q216 Q843F212-D841 WeakPolarHBondContact CD2-OD1 3.43Å; R215-D841 HydrophobicContact CB-CB 4.13Å; R215-D841 VanDerWaalsContact CD-CB 3.44Å; R215-D841 HydrophobicContact CG-CB 4.44Å; Q216-D841 PolarHBondContact NE2-OD1 2.84Å; D841-Q843 PolarHBondContact O-N 3.39Å; D841-Q843 PolarHBondContact O-NE2 2.88Å
842P93.9Very high93.6Very high14 Ų1442.1 Ų42.19%0.09123%0.229CC..PPolyproline II helixtrans-50.6131.2169.5-28.136.7000112.3R215 Q216 S802 Y844R215-P842 PolarHBondContact NH1-O 2.79Å; R215-P842 VanDerWaalsContact NH1-O 3.08Å; Q216-P842 VanDerWaalsContact NE2-CD 3.29Å; S802-P842 WeakPolarHBondContact O-CD 3.35Å; S802-P842 WeakPolarHBondContact OG-CG 3.39Å; P842-Y844 HydrophobicContact CB-CE2 3.8Å; P842-Y844 WeakPolarHBondContact O-CD2 3.3Å
843Q91.5Very high93.7Very high105 Ų10546.7 Ų46.749%0.49125%0.249SC..PPolyproline II helixtrans-93.7133.1180-60-56.4-42.200110I786 L804 S840 D841I786-Q843 HydrophobicContact CD1-CG 4.32Å; L804-Q843 HydrophobicContact CD1-CG 4.39Å; S840-Q843 PolarHBondContact OG-NE2 3.36Å; D841-Q843 PolarHBondContact O-N 3.39Å; D841-Q843 PolarHBondContact O-NE2 2.88Å
844Y92.2Very high93.7Very high55 Ų5544.9 Ų44.922%0.21624%0.242CC..  trans-120.7150.7-179.9-66.8-79.1000109.9R215 N218 P842 F848 F850R215-Y844 HydrophobicContact CB-CE2 4.12Å; R215-Y844 HydrophobicContact CG-CD2 4.37Å; R215-Y844 HydrophobicContact CG-CE2 4.18Å; R215-Y844 PolarHBondContact O-OH 3.01Å; N218-Y844 WeakPolarHBondContact ND2-CE1 3.33Å; N218-Y844 VanDerWaalsContact ND2-CZ 3.33Å; N218-Y844 PolarHBondContact ND2-OH 3.08Å; N218-Y844 PolarHBondContact O-OH 3.27Å; P842-Y844 HydrophobicContact CB-CE2 3.8Å; P842-Y844 WeakPolarHBondContact O-CD2 3.3Å; Y844-F848 HydrophobicContact CD1-CD1 4.18Å; Y844-F848 HydrophobicContact CD1-CE1 4.22Å; Y844-F848 HydrophobicContact CD1-CG 4.34Å; Y844-F848 HydrophobicContact CD1-CZ 4.41Å; Y844-F848 HydrophobicContact CG-CD1 4.18Å; Y844-F848 HydrophobicContact CG-CG 4.44Å; Y844-F850 AromaticContact CD2-CE1 3.76Å; Y844-F850 HydrophobicContact CD2-CE1 3.76Å; Y844-F850 AromaticContact CD2-CZ 3.57Å; Y844-F850 HydrophobicContact CD2-CZ 3.57Å; Y844-F850 AromaticContact CE2-CE1 3.73Å; Y844-F850 HydrophobicContact CE2-CE1 3.73Å; Y844-F850 AromaticContact CE2-CZ 3.97Å; Y844-F850 HydrophobicContact CE2-CZ 3.97Å; Y844-F850 HydrophobicContact CG-CE1 4.3Å; Y844-F850 HydrophobicContact CG-CZ 4.12Å
845P90.7Very high93.8Very high98 Ų9846.9 Ų46.964%0.63625%0.252SS*.  trans-56.3146.4177.5-25.134.8000112.5G847 F848P845-G847 PolarHBondContact O-N 3.2Å; P845-F848 WeakPolarHBondContact O-CB 3.49Å; P845-F848 PolarHBondContact O-N 3.38Å
846K83.8Confident93.7Very high153 Ų15355.6 Ų55.667%0.66529%0.293SS*.THydrogen-bonded Turntrans-56.6128.5174.7-173.4179.4178.2-175.80109.5S654S654-K846 PolarHBondContact O-NZ 3.44Å
847G86.3Confident93.6Very high68 Ų6859.3 Ų59.370%0.70132%0.319SS*.THydrogen-bonded Turntrans83.84.8-176.400000115.4P845 V849P845-G847 PolarHBondContact O-N 3.2Å; G847-V849 PolarHBondContact O-N 3.11Å
848F92.6Very high93.6Very high77 Ų7760.8 Ų60.834%0.33833%0.328SS..  trans-57.1135.7166.1-177-92.2000110.4N218 Y844 P845 F850N218-F848 WeakPolarHBondContact ND2-CE1 3.39Å; N218-F848 WeakPolarHBondContact ND2-CZ 3.3Å; Y844-F848 HydrophobicContact CD1-CD1 4.18Å; Y844-F848 HydrophobicContact CD1-CE1 4.22Å; Y844-F848 HydrophobicContact CD1-CG 4.34Å; Y844-F848 HydrophobicContact CD1-CZ 4.41Å; Y844-F848 HydrophobicContact CG-CD1 4.18Å; Y844-F848 HydrophobicContact CG-CG 4.44Å; P845-F848 WeakPolarHBondContact O-CB 3.49Å; P845-F848 PolarHBondContact O-N 3.38Å; F848-F850 HydrophobicContact CD1-CD1 4.13Å; F848-F850 HydrophobicContact CD1-CD2 4.3Å; F848-F850 HydrophobicContact CD1-CE1 4.08Å; F848-F850 HydrophobicContact CD1-CE2 4.24Å; F848-F850 HydrophobicContact CD1-CG 4.24Å; F848-F850 HydrophobicContact CD1-CZ 4.13Å; F848-F850 AromaticContact CE1-CD1 3.7Å; F848-F850 HydrophobicContact CE1-CD1 3.7Å; F848-F850 AromaticContact CE1-CE1 3.9Å; F848-F850 HydrophobicContact CE1-CE1 3.9Å; F848-F850 HydrophobicContact CE1-CG 4.07Å; F848-F850 HydrophobicContact CE1-CZ 4.42Å
849V95.1Very high93.6Very high50 Ų5065.3 Ų65.330%0.30335%0.349SS..  trans-108.3114.7179179.90000108.6G847G847-V849 PolarHBondContact O-N 3.11Å
850F96.3Very high93.5Very high17 Ų1770.2 Ų70.28%0.07537%0.373CS..  trans-69125.2169.9-63.7-81.5000109.2R214 R215 N218 Q623 Y844 F848R214-F850 HydrophobicContact CG-CB 3.83Å; R214-F850 HydrophobicContact CG-CD1 3.64Å; R214-F850 HydrophobicContact CG-CD2 3.92Å; R214-F850 HydrophobicContact CG-CE1 4.16Å; R214-F850 HydrophobicContact CG-CE2 4.4Å; R214-F850 HydrophobicContact CG-CG 3.51Å; R215-F850 HydrophobicContact CG-CE1 4.41Å; R215-F850 HydrophobicContact CG-CZ 4.03Å; N218-F850 HydrophobicContact CB-CD1 3.88Å; N218-F850 HydrophobicContact CB-CE1 4Å; Q623-F850 PolarHBondContact NE2-O 3.03Å; Y844-F850 AromaticContact CD2-CE1 3.76Å; Y844-F850 HydrophobicContact CD2-CE1 3.76Å; Y844-F850 AromaticContact CD2-CZ 3.57Å; Y844-F850 HydrophobicContact CD2-CZ 3.57Å; Y844-F850 AromaticContact CE2-CE1 3.73Å; Y844-F850 HydrophobicContact CE2-CE1 3.73Å; Y844-F850 AromaticContact CE2-CZ 3.97Å; Y844-F850 HydrophobicContact CE2-CZ 3.97Å; Y844-F850 HydrophobicContact CG-CE1 4.3Å; Y844-F850 HydrophobicContact CG-CZ 4.12Å; F848-F850 HydrophobicContact CD1-CD1 4.13Å; F848-F850 HydrophobicContact CD1-CD2 4.3Å; F848-F850 HydrophobicContact CD1-CE1 4.08Å; F848-F850 HydrophobicContact CD1-CE2 4.24Å; F848-F850 HydrophobicContact CD1-CG 4.24Å; F848-F850 HydrophobicContact CD1-CZ 4.13Å; F848-F850 AromaticContact CE1-CD1 3.7Å; F848-F850 HydrophobicContact CE1-CD1 3.7Å; F848-F850 AromaticContact CE1-CE1 3.9Å; F848-F850 HydrophobicContact CE1-CE1 3.9Å; F848-F850 HydrophobicContact CE1-CG 4.07Å; F848-F850 HydrophobicContact CE1-CZ 4.42Å
851P95.7Very high93.5Very high55 Ų5569.9 Ų69.936%0.35737%0.37SS..  trans-83.5132.2-17131.6-35000113K853P851-K853 VanDerWaalsContact C-N 3.28Å; P851-K853 HydrophobicContact CB-CG 4.21Å; P851-K853 HydrophobicContact CG-CG 4.36Å; P851-K853 PolarHBondContact O-N 3.04Å
852S95.4Very high93.4Very high9 Ų973.7 Ų73.76%0.06340%0.396CS..  trans-73.575.1170.9-670000111.7H245 D332 S380 Y622H245-S852 VanDerWaalsContact NE2-CB 3.29Å; H245-S852 WeakPolarHBondContact NE2-CB 3.48Å; H245-S852 PolarHBondContact NE2-OG 2.91Å; D332-S852 WeakPolarHBondContact OD2-CB 3.49Å; D332-S852 PolarHBondContact OD2-OG 2.88Å; S380-S852 WeakPolarHBondContact CA-OG 2.85Å; S380-S852 PolarHBondContact OG-N 3.37Å; Y622-S852 WeakPolarHBondContact CD1-OG 3.44Å
853K95.1Very high93.3Very high97 Ų9778.7 Ų78.742%0.42243%0.429SS..SBendtrans-147.9154.5176.268172.5-173.3163.40112.2R217 P851 E856R217-K853 PolarHBondContact NH2-O 2.86Å; P851-K853 VanDerWaalsContact C-N 3.28Å; P851-K853 HydrophobicContact CB-CG 4.21Å; P851-K853 HydrophobicContact CG-CG 4.36Å; P851-K853 PolarHBondContact O-N 3.04Å; K853-E856 IonicContact NZ-OE1 3.75Å
854L96.3Very high93.3Very high45 Ų4575.9 Ų75.924%0.23642%0.418CS..  trans-62.1147.8164.5-68.1179.3000111.3H245 P247 E328 V858 M860H245-L854 WeakPolarHBondContact O-CD2 3.39Å; P247-L854 HydrophobicContact CB-CD2 4.45Å; P247-L854 HydrophobicContact CG-CD2 4.21Å; E328-L854 HydrophobicContact CG-CG 4.14Å; L854-V858 HydrophobicContact CB-CG1 4.2Å; L854-V858 HydrophobicContact CD1-CG1 4.39Å; L854-M860 HydrophobicContact CD1-CE 4.28Å; L854-M860 HydrophobicContact CD1-SD 3.73Å
855L95.5Very high93.4Very high42 Ų4282 Ų8222%0.2244%0.443CS..  trans-77.2141.5172.3-66.6178.6000110.7R217 A224 S857 V858R217-L855 HydrophobicContact CG-CD1 3.92Å; R217-L855 HydrophobicContact CG-CD2 4.4Å; R217-L855 HydrophobicContact CG-CG 4.31Å; A224-L855 HydrophobicContact CB-CB 3.66Å; A224-L855 HydrophobicContact CB-CD1 3.76Å; A224-L855 HydrophobicContact CB-CG 4.36Å; L855-S857 PolarHBondContact O-N 2.94Å; L855-S857 VanDerWaalsContact O-N 3.14Å; L855-V858 VanDerWaalsContact O-CB 3.3Å; L855-V858 WeakPolarHBondContact O-CB 3.28Å; L855-V858 WeakPolarHBondContact O-CG1 3.2Å; L855-V858 PolarHBondContact O-N 2.87Å; L855-V858 VanDerWaalsContact O-N 3.09Å
856E92.2Very high93.5Very high183 Ų18378.8 Ų78.886%0.85542%0.42SS*.THydrogen-bonded Turntrans-62.6-25.3-171.2-67.7166.6-154.400114.3K853K853-E856 IonicContact NZ-OE1 3.75Å
857S93.2Very high93.8Very high79 Ų7975.9 Ų75.955%0.55241%0.409SS*.THydrogen-bonded Turntrans-89.96.7179.555.90000114.4A224 N225 L855A224-S857 VanDerWaalsContact CB-OG 3.3Å; A224-S857 WeakPolarHBondContact CB-OG 3.36Å; N225-S857 PolarHBondContact ND2-O 3.16Å; L855-S857 PolarHBondContact O-N 2.94Å; L855-S857 VanDerWaalsContact O-N 3.14Å
858V95.5Very high93.9Very high31 Ų3177.1 Ų77.119%0.18840%0.404CS..  trans-74.1140.7-176.1790000112.8A224 P247 L854 L855 M860A224-V858 HydrophobicContact CB-CB 4.15Å; A224-V858 VanDerWaalsContact O-CG2 3.23Å; A224-V858 WeakPolarHBondContact O-CG2 3.18Å; P247-V858 HydrophobicContact CG-CG2 3.4Å; P247-V858 VanDerWaalsContact CG-CG2 3.4Å; L854-V858 HydrophobicContact CB-CG1 4.2Å; L854-V858 HydrophobicContact CD1-CG1 4.39Å; L855-V858 VanDerWaalsContact O-CB 3.3Å; L855-V858 WeakPolarHBondContact O-CB 3.28Å; L855-V858 WeakPolarHBondContact O-CG1 3.2Å; L855-V858 PolarHBondContact O-N 2.87Å; L855-V858 VanDerWaalsContact O-N 3.09Å; V858-M860 HydrophobicContact CG1-SD 4.31Å
859K96.4Very high93.4Very high153 Ų15376.6 Ų76.667%0.66541%0.408SS*.  trans-109.6110.5171.5-62.2173.7-177.5171.40107.8N225 Y248N225-K859 WeakPolarHBondContact OD1-CB 3.22Å; N225-K859 PolarHBondContact OD1-N 2.73Å; Y248-K859 WeakPolarHBondContact CE2-O 3.44Å; Y248-K859 VanDerWaalsContact CZ-O 3.31Å; Y248-K859 PolarHBondContact OH-O 3.4Å
860M95.7Very high92.2Very high103 Ų10379.3 Ų79.351%0.50742%0.418SS..PPolyproline II helixtrans-59.5141.3-174.6-67.8-57.9-72.900112.4P247 L854 V858P247-M860 HydrophobicContact CB-CE 4.27Å; P247-M860 HydrophobicContact CB-SD 4.2Å; P247-M860 HydrophobicContact CG-SD 4.39Å; L854-M860 HydrophobicContact CD1-CE 4.28Å; L854-M860 HydrophobicContact CD1-SD 3.73Å; V858-M860 HydrophobicContact CG1-SD 4.31Å
861P94.3Very high90.1Very high15 Ų1589.8 Ų89.810%0.09746%0.457CS..PPolyproline II helixtrans-55.7148172.8-21.829.5000111.8P247 Y248 N306P247-P861 HydrophobicContact CB-CG 4.26Å; P247-P861 VanDerWaalsContact O-CG 3.3Å; P247-P861 WeakPolarHBondContact O-CG 3.36Å; Y248-P861 HydrophobicContact CD1-CB 4.48Å; Y248-P861 HydrophobicContact CD1-CG 3.93Å; Y248-P861 HydrophobicContact CD2-CG 4.45Å; Y248-P861 HydrophobicContact CE1-CB 3.9Å; Y248-P861 HydrophobicContact CE1-CG 3.64Å; Y248-P861 HydrophobicContact CE2-CG 4.18Å; Y248-P861 HydrophobicContact CG-CG 4.33Å; N306-P861 HydrophobicContact CB-CB 4.3Å; N306-P861 HydrophobicContact CB-CG 3.97Å
862P93.6Very high87.6Confident98 Ų9888.6 Ų88.664%0.63646%0.455SS*.PPolyproline II helixtrans-62.3141.5177.825.8-34000111.3
863P92.8Very high84.6Confident120 Ų12096.4 Ų96.478%0.77948%0.482SS*.PPolyproline II helixtrans-57.7145.5175.2-25.834.9000112.8
864V91.9Very high81.5Confident45 Ų4594.6 Ų94.627%0.27349%0.492SS..  trans-116.8144-179.7179.90000109.3V307 L866V307-V864 HydrophobicContact CG2-CB 4.32Å; V307-V864 HydrophobicContact CG2-CG2 4.05Å; V864-L866 PolarHBondContact O-N 2.75Å; V864-L866 VanDerWaalsContact O-N 3.1Å
865Y92.4Very high78.2Confident185 Ų185102.2 Ų102.273%0.72552%0.517SS*.  trans-63.9113172.6176.2-96.4000110.6Q867Y865-Q867 HydrophobicContact CD1-CG 4.43Å; Y865-Q867 HydrophobicContact CE1-CG 4.25Å; Y865-Q867 PolarHBondContact O-N 3.12Å
866L93.1Very high75.1Confident30 Ų30103.3 Ų103.316%0.15754%0.539CS..  trans-82.4108.3-179.9-54.8-174.9000110.3V307 Q310 Y311 V864V307-L866 HydrophobicContact CG1-CD2 3.73Å; Q310-L866 HydrophobicContact CB-CD1 4.15Å; Q310-L866 HydrophobicContact CB-CD2 4.22Å; Y311-L866 HydrophobicContact CD1-CB 4.36Å; Y311-L866 HydrophobicContact CD1-CD1 4Å; Y311-L866 HydrophobicContact CD2-CD2 4.08Å; Y311-L866 HydrophobicContact CE1-CB 3.77Å; Y311-L866 HydrophobicContact CE1-CD1 4.26Å; Y311-L866 HydrophobicContact CE1-CD2 4.35Å; Y311-L866 HydrophobicContact CE1-CG 4.35Å; Y311-L866 HydrophobicContact CE2-CD2 3.84Å; Y311-L866 HydrophobicContact CG-CD1 4.23Å; Y311-L866 HydrophobicContact CG-CD2 4.45Å; V864-L866 PolarHBondContact O-N 2.75Å; V864-L866 VanDerWaalsContact O-N 3.1Å
867Q91Very high72Confident92 Ų92107.4 Ų107.443%0.4355%0.547SS..PPolyproline II helixtrans-61.2139.2168.8-64.1177.832.800111P15 S16 Y311 Y865P15-Q867 HydrophobicContact CG-CB 4Å; S16-Q867 VanDerWaalsContact OG-CB 3.29Å; S16-Q867 WeakPolarHBondContact OG-CB 3.36Å; S16-Q867 WeakPolarHBondContact OG-CG 3.48Å; S16-Q867 PolarHBondContact OG-N 3.2Å; Y311-Q867 PolarHBondContact OH-O 3.47Å; Y865-Q867 HydrophobicContact CD1-CG 4.43Å; Y865-Q867 HydrophobicContact CE1-CG 4.25Å; Y865-Q867 PolarHBondContact O-N 3.12Å
868P88Confident68.9Low93 Ų93107 Ų10760%0.60456%0.555SS**PPolyproline II helixtrans-66.6158.3177.129.3-35.9000111.8P15 Q870P15-P868 WeakPolarHBondContact CG-O 3.24Å; P868-Q870 PolarHBondContact O-N 3.17Å
869P81.2Confident65.6Low66 Ų66110.7 Ų110.743%0.42958%0.582SS.*PPolyproline II helixtrans-51.9137.1177.8-26.132.7000112.7K13 R871K13-P869 WeakPolarHBondContact O-CG 3.1Å; P869-R871 PolarHBondContact O-N 3.35Å
870Q70.3Confident62.5Low107 Ų107113.3 Ų113.350%0.559%0.594SS.*  trans-73.5100.3-178.4-66-164.617.400110.9M12 P15 P868 G872M12-Q870 PolarHBondContact O-N 3Å; P15-Q870 HydrophobicContact CB-CG 4.06Å; P15-Q870 HydrophobicContact CG-CG 4.12Å; P868-Q870 PolarHBondContact O-N 3.17Å; Q870-G872 PolarHBondContact O-N 3.36Å; Q870-G872 VanDerWaalsContact O-N 3.11Å
871R51.9Low59.3Low238 Ų238119.1 Ų119.190%0.89861%0.61SS**  trans-64.3110.7163-69.4-172.4-179-175.41.4108.4P869P869-R871 PolarHBondContact O-N 3.35Å
872G43.3Very low56.1Low30 Ų30124.8 Ų124.831%0.30965%0.645SS.*  trans-55.3151.9-179.200000112.9Q870 G874Q870-G872 PolarHBondContact O-N 3.36Å; Q870-G872 VanDerWaalsContact O-N 3.11Å; G872-G874 PolarHBondContact O-N 3.2Å
873R32.3Very low53.1Low172 Ų172127.8 Ų127.865%0.64966%0.656SS**  trans-68.963.9-169.5-79.1-177164-177.2-2.3114.5R875R873-R875 PolarHBondContact O-N 3.04Å
874G30.9Very low50Low60 Ų60130.8 Ų130.862%0.61966%0.659SS**  trans-7795161.700000110.7G872 G876G872-G874 PolarHBondContact O-N 3.2Å; G874-G876 VanDerWaalsContact C-N 3.34Å; G874-G876 PolarHBondContact O-N 3.48Å
875R26.2Very low47.1Very low204 Ų204137.8 Ų137.877%0.7769%0.688SS**  trans-67.889.7170-86.4-172.3172.4179.10.6110.4R873R873-R875 PolarHBondContact O-N 3.04Å
876G30.5Very low44.2Very low66 Ų66140.7 Ų140.768%0.6870%0.698SS**  trans-121.2109.9163.600000109.9G874 G878G874-G876 VanDerWaalsContact C-N 3.34Å; G874-G876 PolarHBondContact O-N 3.48Å; G876-G878 PolarHBondContact O-N 3.43Å; G876-G878 VanDerWaalsContact O-N 3.09Å
877R26.7Very low41.1Very low269 Ų269142.8 Ų142.8100%1.01573%0.727SS**  trans-71.4100.5170.5-86.1-175.3169.7-171.3-2.4108.7
878G29.8Very low38.3Very low70 Ų70149.8 Ų149.872%0.72275%0.749SS**  trans-132.798.8171.500000109.7G876 F880G876-G878 PolarHBondContact O-N 3.43Å; G876-G878 VanDerWaalsContact O-N 3.09Å; G878-F880 PolarHBondContact O-N 2.72Å
879S26Very low35.7Very low109 Ų109153.8 Ų153.876%0.76276%0.758SS**  trans-69.8118.9176.3155.70000110.1
880F30.8Very low33.5Very low207 Ų207156 Ų15691%0.90877%0.766SS**  trans-141.3151.9150.8-104.6-77.6000112.5G878G878-F880 PolarHBondContact O-N 2.72Å
881R28.8Very low31.9Very low225 Ų225153.5 Ų153.585%0.84976%0.763SS**  trans-79.9164.8-164.4-68.3171.7172.3162.1-4.1112.3D883R881-D883 PolarHBondContact O-N 3.27Å
882T27.3Very low31Very low134 Ų134146.6 Ų146.682%0.82274%0.744SS**  trans-54.4125.8161.547.50000110.8
883D29.1Very low30.5Very low162 Ų162148.2 Ų148.287%0.86676%0.755SS**  trans-139.7134.6141.5-101.7-40.7000108.1R881 H885R881-D883 PolarHBondContact O-N 3.27Å; D883-H885 PolarHBondContact O-N 2.7Å
884E28.1Very low30.5Very low182 Ų182142.1 Ų142.185%0.8574%0.741SS**  trans-69.8123.8176.1-57.5175126.300108.4
885H30.9Very low30.7Very low193 Ų193142.7 Ų142.789%0.89473%0.729SS**  trans-158.1147149.2-106.545.2000108.7D883 G887D883-H885 PolarHBondContact O-N 2.7Å; H885-G887 PolarHBondContact O-N 2.98Å
886R32.6Very low31.1Very low246 Ų246140.1 Ų140.193%0.92873%0.725SS**  trans-47.7124.6-165.7-69.7174173.9169.3-2.8113R888R886-R888 PolarHBondContact O-N 2.93Å
887G28.3Very low31.3Very low74 Ų74140 Ų14076%0.76371%0.705SS**  trans-63.797.2-173.300000113.6H885 F889H885-G887 PolarHBondContact O-N 2.98Å; G887-F889 PolarHBondContact O-N 2.81Å
888R31.6Very low31.9Very low239 Ų239129.6 Ų129.690%0.90267%0.666SS**  trans-78.2111.3166.1-151.9175.3-165.71753.1107.9R886 N890R886-R888 PolarHBondContact O-N 2.93Å; R888-N890 PolarHBondContact O-N 3.42Å
889F33.4Very low32.1Very low177 Ų177127.3 Ų127.378%0.77664%0.64SS**  trans-55.2126.7170.9-84.5-100.4000108.9G887G887-F889 PolarHBondContact O-N 2.81Å
890N34.9Very low32.5Very low112 Ų112130.7 Ų130.760%0.59964%0.636SS**  trans-109.695.3-177.3-169.2-9.9000109.6R888 N892 A893R888-N890 PolarHBondContact O-N 3.42Å; N890-N892 PolarHBondContact O-N 2.85Å; N890-N892 VanDerWaalsContact O-N 3.1Å; N890-N892 WeakPolarHBondContact OD1-CB 3.44Å; N890-N892 PolarHBondContact OD1-N 2.64Å; N890-A893 WeakPolarHBondContact O-CB 3.43Å; N890-A893 PolarHBondContact O-N 3.37Å
891A35.8Very low32.7Very low54 Ų54123.7 Ų123.745%0.44661%0.608SS.*THydrogen-bonded Turntrans-54.5-27.6-178.400000113.4A893 A894 M895A891-A893 PolarHBondContact O-N 3.02Å; A891-A893 VanDerWaalsContact O-N 3.14Å; A891-A894 WeakPolarHBondContact O-CB 3.45Å; A891-A894 PolarHBondContact O-N 3.26Å; A891-M895 PolarHBondContact O-N 3.13Å
892N34.3Very low33Very low93 Ų93116 Ų11650%0.49759%0.589SS.*Hα-helixtrans-61.4-24.8178.6-65.7-2.8000113N890 A894 Q896N890-N892 PolarHBondContact O-N 2.85Å; N890-N892 VanDerWaalsContact O-N 3.1Å; N890-N892 WeakPolarHBondContact OD1-CB 3.44Å; N890-N892 PolarHBondContact OD1-N 2.64Å; N892-A894 VanDerWaalsContact C-N 3.32Å; N892-Q896 WeakPolarHBondContact O-CG 3.37Å; N892-Q896 PolarHBondContact O-N 2.71Å
893A33Very low33.3Very low65 Ų65111.9 Ų111.954%0.53757%0.566SS.*Hα-helixtrans-70.1-27.917500000112.8N890 A891N890-A893 WeakPolarHBondContact O-CB 3.43Å; N890-A893 PolarHBondContact O-N 3.37Å; A891-A893 PolarHBondContact O-N 3.02Å; A891-A893 VanDerWaalsContact O-N 3.14Å
894A32.1Very low33.4Very low44 Ų44108 Ų10836%0.36455%0.552SS.*Hα-helixtrans-77.9-41.9174.100000111.4A891 N892 Q896 Y897 Y898A891-A894 WeakPolarHBondContact O-CB 3.45Å; A891-A894 PolarHBondContact O-N 3.26Å; N892-A894 VanDerWaalsContact C-N 3.32Å; A894-Q896 VanDerWaalsContact C-N 3.33Å; A894-Q896 PolarHBondContact O-N 2.8Å; A894-Y897 WeakPolarHBondContact O-CB 3.42Å; A894-Y897 PolarHBondContact O-N 2.85Å; A894-Y898 HydrophobicContact CB-CE2 4.44Å; A894-Y898 VanDerWaalsContact O-CD2 3.25Å; A894-Y898 WeakPolarHBondContact O-CD2 3.45Å; A894-Y898 PolarHBondContact O-N 2.89Å
895M35Very low33.5Very low71 Ų71105.4 Ų105.435%0.3554%0.544SS..Hα-helixtrans-55.7-45.2175.7-73.1-168.1-152.100112.7A891 Y897 Y898 A899A891-M895 PolarHBondContact O-N 3.13Å; M895-Y897 PolarHBondContact O-N 3.16Å; M895-Y897 VanDerWaalsContact O-N 3.13Å; M895-Y898 PolarHBondContact O-N 2.76Å; M895-A899 PolarHBondContact O-N 3.41Å
896Q34.6Very low33.4Very low150 Ų150105.3 Ų105.370%0.70154%0.535SS*.Hα-helixtrans-63.6-18.7179-71.1-175.55.200113.9N892 A894N892-Q896 WeakPolarHBondContact O-CG 3.37Å; N892-Q896 PolarHBondContact O-N 2.71Å; A894-Q896 VanDerWaalsContact C-N 3.33Å; A894-Q896 PolarHBondContact O-N 2.8Å
897Y35.2Very low33.3Very low64 Ų64102.1 Ų102.125%0.25153%0.531SS..Hα-helixtrans-80.8-50.2177.4-176.2-94000111.9M12 A894 M895 A899 R900 D901M12-Y897 HydrophobicContact CE-CD1 3.81Å; M12-Y897 HydrophobicContact CE-CE1 3.53Å; M12-Y897 HydrophobicContact SD-CE1 4.02Å; A894-Y897 WeakPolarHBondContact O-CB 3.42Å; A894-Y897 PolarHBondContact O-N 2.85Å; M895-Y897 PolarHBondContact O-N 3.16Å; M895-Y897 VanDerWaalsContact O-N 3.13Å; Y897-A899 VanDerWaalsContact C-N 3.3Å; Y897-A899 PolarHBondContact O-N 3.05Å; Y897-R900 WeakPolarHBondContact O-CB 3.34Å; Y897-R900 PolarHBondContact O-N 3.33Å; Y897-D901 VanDerWaalsContact CE1-OD2 3.27Å; Y897-D901 WeakPolarHBondContact CE1-OD2 3.38Å; Y897-D901 PolarHBondContact OH-OD2 2.69Å
898Y37.6Very low33.3Very low50 Ų50106.3 Ų106.320%0.19654%0.536CS..Hα-helixtrans-63-34.6-176.6-68.3-68.3000113.2R355 A894 M895 R900R355-Y898 VanDerWaalsContact O-CB 3.27Å; R355-Y898 WeakPolarHBondContact O-CB 3.09Å; R355-Y898 VanDerWaalsContact O-CD2 3.24Å; R355-Y898 WeakPolarHBondContact O-CD2 3.37Å; R355-Y898 VanDerWaalsContact O-CG 3.23Å; A894-Y898 HydrophobicContact CB-CE2 4.44Å; A894-Y898 VanDerWaalsContact O-CD2 3.25Å; A894-Y898 WeakPolarHBondContact O-CD2 3.45Å; A894-Y898 PolarHBondContact O-N 2.89Å; M895-Y898 PolarHBondContact O-N 2.76Å; Y898-R900 PolarHBondContact O-N 2.74Å; Y898-R900 VanDerWaalsContact O-N 3.1Å
899A35.9Very low33.2Very low22 Ų22100.9 Ų100.918%0.18253%0.53CS..Hα-helixtrans-68.5-2.8174.100000114.5R416 M895 Y897R416-A899 PolarHBondContact NH1-O 3.2Å; M895-A899 PolarHBondContact O-N 3.41Å; Y897-A899 VanDerWaalsContact C-N 3.3Å; Y897-A899 PolarHBondContact O-N 3.05Å
900R34.5Very low32.9Very low180 Ų18095.7 Ų95.768%0.67953%0.526SS*.Hα-helixtrans-111-25.5-173.2-140.7174.9-170.6162.44.1114.2Y897 Y898Y897-R900 WeakPolarHBondContact O-CB 3.34Å; Y897-R900 PolarHBondContact O-N 3.33Å; Y898-R900 PolarHBondContact O-N 2.74Å; Y898-R900 VanDerWaalsContact O-N 3.1Å
901D34.3Very low32.5Very low60 Ų60102 Ų10232%0.32154%0.541SS..Hα-helixtrans-82.1-13.4-173.3-109.7-12.3000114.3R8 Y897 S903R8-D901 IonicContact CZ-OD2 3.51Å; R8-D901 IonicContact NH2-OD2 3.54Å; R8-D901 PolarHBondContact NH2-OD2 3.34Å; Y897-D901 VanDerWaalsContact CE1-OD2 3.27Å; Y897-D901 WeakPolarHBondContact CE1-OD2 3.38Å; Y897-D901 PolarHBondContact OH-OD2 2.69Å; D901-S903 PolarHBondContact O-N 3.26Å
902S35.3Very low32.2Very low65 Ų65105.4 Ų105.446%0.45555%0.552SS.*THydrogen-bonded Turntrans-70.410.2176.2-62.80000114.7F413F413-S902 VanDerWaalsContact CZ-CB 3.43Å; F413-S902 WeakPolarHBondContact CZ-O 3.48Å
903S33.3Very low32.1Very low46 Ų46106.1 Ų106.132%0.32256%0.56SS.*THydrogen-bonded Turntrans-114.923-176.8-171.50000113.3N420 D901 D905N420-S903 PolarHBondContact ND2-OG 2.81Å; D901-S903 PolarHBondContact O-N 3.26Å; S903-D905 PolarHBondContact O-N 3.01Å
904S30.3Very low31.8Very low82 Ų82112.9 Ų112.957%0.57357%0.573SS**  trans-77.236.918067.30000114.6R906S904-R906 PolarHBondContact O-N 3.1Å
905D29.8Very low31.8Very low127 Ų127113.5 Ų113.568%0.67958%0.575SS**  trans-94.773.4166.6-61.2-30.3000108.1S903S903-D905 PolarHBondContact O-N 3.01Å
906R29.1Very low31.6Very low190 Ų190118 Ų11872%0.71760%0.6SS**  trans-141114.9171.1-83-162.9169.1167.4-0.5112.6S904 N908S904-R906 PolarHBondContact O-N 3.1Å; R906-N908 PolarHBondContact O-N 3.26Å
907E31.1Very low31.8Very low180 Ų180112.6 Ų112.684%0.84158%0.579SS**  trans-52.5131.6168.6-59.3172.9123.900111.1T909E907-T909 PolarHBondContact O-N 3.39Å
908N27.9Very low31.7Very low161 Ų161114.6 Ų114.686%0.86160%0.599SS**  trans-79.881-178-171.921.6000111.1R906R906-N908 PolarHBondContact O-N 3.26Å
909T29.8Very low31.5Very low126 Ų126119 Ų11977%0.77362%0.624SS**  trans-82.9114.1167.946.40000109.9E907E907-T909 PolarHBondContact O-N 3.39Å
910G26.5Very low31.5Very low68 Ų68121.5 Ų121.570%0.70163%0.634SS**  trans-70.7137.8-163.900000115.8
911R28.2Very low31.4Very low243 Ų243122.6 Ų122.692%0.91764%0.638SS**  trans-160.5130.9149.3-113.9174.6-171.4-175.12.6112
912D28.6Very low31.6Very low126 Ų126124.7 Ų124.767%0.67465%0.647SS**  trans-70.9137.4-171.3-52.7-85.7000114.7
913V31.6Very low31.7Very low109 Ų109126.2 Ų126.266%0.66165%0.653SS**  trans-142.7106.9152.1-174.80000109.8
914Y27.8Very low31.6Very low206 Ų206130 Ų13081%0.80867%0.668SS**  trans-57.5135.4179.5-68.7-93.5000113.4
915S30.9Very low31.8Very low58 Ų58133.3 Ų133.341%0.40668%0.679SS.*  trans-159.2118.4168.1-178.10000109.8S917 N920S915-S917 PolarHBondContact O-N 2.96Å; S915-N920 PolarHBondContact O-ND2 3.3Å
916N31.6Very low32.1Very low165 Ų165131.5 Ų131.588%0.88268%0.676SS**  trans-61130.8-179.1-76.1-28000112.1
917S38.1Very low32.1Very low37 Ų37128.4 Ų128.426%0.25967%0.673SS.*  trans-154.5147.2168.9167.40000106.5S915 M919 N920 R921S915-S917 PolarHBondContact O-N 2.96Å; S917-M919 PolarHBondContact O-N 3.21Å; S917-M919 PolarHBondContact OG-N 3.29Å; S917-N920 PolarHBondContact O-N 3.08Å; S917-R921 PolarHBondContact O-N 3.26Å
918P33.8Very low32.2Very low105 Ų105125.1 Ų125.168%0.68267%0.667SS**Hα-helixtrans-50.8-42172.4-26.335.2000112.1N920 R921P918-N920 PolarHBondContact O-N 3.21Å; P918-R921 PolarHBondContact O-N 3.35Å
919M33.7Very low32.3Very low144 Ų144129 Ų12971%0.70967%0.67SS**Hα-helixtrans-58.7-30.5176.9-142177.8-162.500113.5S917S917-M919 PolarHBondContact O-N 3.21Å; S917-M919 PolarHBondContact OG-N 3.29Å
920N35.4Very low32.2Very low73 Ų73133.4 Ų133.439%0.3967%0.674SS.*Hα-helixtrans-83.2-13.2178.6-89.3-2.4000113.5S915 S917 P918S915-N920 PolarHBondContact O-ND2 3.3Å; S917-N920 PolarHBondContact O-N 3.08Å; P918-N920 PolarHBondContact O-N 3.21Å
921R32.3Very low32.4Very low204 Ų204138.8 Ų138.877%0.7768%0.681SS**Hα-helixtrans-78.6-26.9174.6-92.6-173.1179.7172.30.5113S917 P918S917-R921 PolarHBondContact O-N 3.26Å; P918-R921 PolarHBondContact O-N 3.35Å
922M38.7Very low32.5Very low104 Ų104138.9 Ų138.951%0.51268%0.681SS.*Hα-helixtrans-82.5-38.6-174-74.4161.7164.400112.7M924 N925 S926M922-M924 PolarHBondContact O-N 3.28Å; M922-N925 PolarHBondContact O-N 3.22Å; M922-S926 PolarHBondContact O-OG 3.46Å
923V37.9Very low32.4Very low96 Ų96138.6 Ų138.658%0.58269%0.689SS**THydrogen-bonded Turntrans-63.5-25.4179.7-177.80000113.5
924M31.7Very low32.4Very low126 Ų126145.3 Ų145.362%0.62170%0.703SS**THydrogen-bonded Turntrans-85-12.7179.7-82.6-72.4-179.500114.5M922M922-M924 PolarHBondContact O-N 3.28Å
925N34.3Very low32.5Very low152 Ų152139.7 Ų139.781%0.81371%0.707SS**THydrogen-bonded Turntrans-101.4-3.3-178.5-82.49.1000113.8M922M922-N925 PolarHBondContact O-N 3.22Å
926S36Very low32.5Very low89 Ų89140.7 Ų140.762%0.62273%0.726SS**SBendtrans-108.610.9-177.250.30000114.5M922M922-S926 PolarHBondContact O-OG 3.46Å
927L27.4Very low32.5Very low124 Ų124142.1 Ų142.165%0.64973%0.727SS**  trans-97118.3176.9-71.3172.5000111.8R929L927-R929 PolarHBondContact O-N 2.66Å
928P34.3Very low32.3Very low111 Ų111145 Ų14572%0.72175%0.748SS**  trans-62.7122.7166.1-18.932000110.2Y930P928-Y930 PolarHBondContact O-N 3.3Å
929R29.5Very low32.3Very low243 Ų243147.1 Ų147.192%0.91775%0.748SS**  trans-73.291.9172.6-83.8-173.3172179.70.4110.6L927 Q931L927-R929 PolarHBondContact O-N 2.66Å; R929-Q931 PolarHBondContact O-N 2.63Å; R929-Q931 VanDerWaalsContact O-N 3.13Å
930Y28.6Very low32.3Very low219 Ų219150.3 Ų150.386%0.85975%0.754SS**  trans-66.9105.9164.7-113.3-88.5000110.3P928 R932P928-Y930 PolarHBondContact O-N 3.3Å; Y930-R932 PolarHBondContact O-N 2.99Å
931Q29.5Very low32.3Very low180 Ų180151.2 Ų151.284%0.84177%0.766SS**  trans-77.5110.8167.5-79.2-176-33.100109.5R929 S933R929-Q931 PolarHBondContact O-N 2.63Å; R929-Q931 VanDerWaalsContact O-N 3.13Å; Q931-S933 PolarHBondContact O-N 3.03Å
932R31.7Very low32.4Very low246 Ų246146.2 Ų146.293%0.92876%0.762SS**  trans-81.7110.5166.3-88.9-173.8168.4-175.4-3.3110.2Y930Y930-R932 PolarHBondContact O-N 2.99Å
933S25.4Very low32.1Very low120 Ų120152.5 Ų152.584%0.83978%0.78SS**  trans-69.2125.1167.8-70.10000111.7Q931Q931-S933 PolarHBondContact O-N 3.03Å
934R32.4Very low31.8Very low250 Ų250152.3 Ų152.394%0.94378%0.783SS**  trans-135.8126.2148.7-90.4-169.6171-173.1-2.6107.7
935G29.9Very low31.8Very low87 Ų87154.6 Ų154.690%0.89780%0.798SS**  trans-81.3172.7-170.100000114.6
936G30.3Very low31.7Very low79 Ų79153.3 Ų153.381%0.81480%0.799SS**  trans164.596.7177.300000112
937H32.1Very low31.3Very low195 Ų195152.2 Ų152.290%0.90380%0.802SS**  trans-42.1168.1-178.8-75.6-84.8000119.4
938S33.8Very low31.6Very low98 Ų98155.7 Ų155.769%0.68581%0.812SS**  trans90.4133.1152.4-141.50000115.3
939Q33.7Very low31.4Very low149 Ų149157.6 Ų157.670%0.69682%0.815SS**  cis-168.9150.6-0.5-123.417543.300109.7
940Y33.6Very low31.5Very low211 Ų211150.4 Ų150.483%0.82780%0.802SS**  trans48.6153.1158.3-64-69.2000120.7
941S34.4Very low31.7Very low93 Ų93147.4 Ų147.465%0.6580%0.8SS**  cis-165.6132.7-14.749.30000111.7
942S34.3Very low31.8Very low98 Ų98146.4 Ų146.469%0.68580%0.799SS**  trans45.1132.6142.166.80000124.1
943R33.4Very low32.2Very low236 Ų236140 Ų14089%0.89179%0.789SS**  trans71.2148.8141.8-75.3175.6177.1171.4-1.9118.7
944S32.3Very low32.7Very low93 Ų93139.3 Ų139.365%0.6579%0.785SS**  cis177.1124.5-30.644.30000107
945D31.7Very low32.7Very low174 Ų174134.7 Ų134.793%0.9378%0.779SS**  trans-165.8164.4146.8-124.1-37000115.5
946C30.9Very low32.7Very low124 Ų124143 Ų14384%0.83878%0.783SS**  trans-91.8154.3-168.7-163.10000114.3
947G28.8Very low32.7Very low66 Ų66150.1 Ų150.168%0.6879%0.786SS**  trans-76.1170.3-164.800000118.4
948K33.8Very low33Very low197 Ų197147.1 Ų147.186%0.85778%0.784SS**  trans-166.1123.4155.3-105.9161.5-174.1174.70111.8
949I29.1Very low32.9Very low151 Ų151146.2 Ų146.277%0.77479%0.789SS**  trans52.5138.3135.1-64.8167.4000121.3
950S31.3Very low32.9Very low92 Ų92143.6 Ų143.664%0.64379%0.788SS**  trans78.1116.2157.666.40000120.8
951N33.1Very low32.9Very low156 Ų156144 Ų14483%0.83479%0.794SS**  -178.9151.3101.2-88.6-38.9000114
952I32.4Very low32.9Very low159 Ų159145.9 Ų145.982%0.81580%0.797SS**  trans-146159.5-177.7-50.4171.9000105.7
953P38.7Very low32.9Very low111 Ų111153.1 Ų153.172%0.72181%0.809SS**  cis-123.6-176-42.739.1-23.8000112.5
954S35.8Very low33.2Very low107 Ų107150.2 Ų150.275%0.74881%0.805SS**  trans-169117.3145.716.60000110.6
955N34.3Very low33.8Very low153 Ų153151 Ų15182%0.81881%0.808SS**  71.1105.187.2-88.2-11.2000116.1
956W29.3Very low34.5Very low261 Ų261147.1 Ų147.199%0.98979%0.793SS**  trans-136.5113.2148.8-81.489.9000110.3
957R30.6Very low34.8Very low228 Ų228149.4 Ų149.486%0.8679%0.791SS**  trans-139.5152.2167.5-102.3-169.2-173.4-123.95.6104.5
958P38Very low35.2Very low133 Ų133152.4 Ų152.486%0.86479%0.791SS**  -154.7-179.871.439.3-18000116.3
959G32Very low35.4Very low78 Ų78149.8 Ų149.880%0.80479%0.787SS**  trans159.672.3170.300000113.8
960S32.5Very low35.7Very low95 Ų95146 Ų14666%0.66478%0.778SS**  trans-91.7152.9177.1-56.50000112.3
961F35.1Very low36Very low220 Ų220153.3 Ų153.397%0.96579%0.794SS**  trans-149.3143.8136.5-100.7-72.6000110.9
962N32.7Very low36.2Very low131 Ų131153.7 Ų153.770%0.70179%0.79SS**  trans-94.9156.6-167.7-65.9-27.7000113.6
963R36Very low36.5Very low250 Ų250157 Ų15794%0.94379%0.792SS**  -168.4155.2115.7-100.7167-167.9-143.72.7112.5
964H39.1Very low36.4Very low175 Ų175158.6 Ų158.681%0.8180%0.795SS**  trans-107.9-158.4-168.3-75.5-80.2000111.9
965P44.9Very low36.4Very low110 Ų110157 Ų15771%0.71479%0.794SS**  -129.7-132.5-108.141.7-17.1000110.5
966P47.1Very low36.8Very low93 Ų93156.4 Ų156.460%0.60480%0.799SS**  cis-138.3-173.9-2634.1-12.3000116.5
967Q37.4Very low36.9Very low171 Ų171148.1 Ų148.180%0.79979%0.787SS**  trans95.6150.1132.6-100.2161.83.200124.3
968N36.5Very low37.1Very low129 Ų129148.6 Ų148.669%0.6979%0.79SS**  trans74.5142.3172.4-61.730.1000118.4
969D37.8Very low36.9Very low143 Ų143153.2 Ų153.277%0.76579%0.79SS**  cis-156.4160.8-15.3-106-33.2000113.4
970A35.2Very low37.1Very low72 Ų72158 Ų15860%0.59579%0.792SS**  trans-57.6160.4-171.400000120.4
971Y38Very low37.1Very low245 Ų245158.6 Ų158.696%0.96180%0.795SS**  trans-156.2145.1133.6-96.3-69.1000112.4
972H38.1Very low37Very low163 Ų163152.9 Ų152.976%0.75578%0.783SS**  trans-101.4150.7-170.2-84.1-105.1000115
973R37.3Very low37Very low230 Ų230150.9 Ų150.987%0.86878%0.779SS**  179.1114.6116.6-105.7-178.9169.8167.6-0.3116.9
974D37.6Very low36.9Very low144 Ų144147.8 Ų147.877%0.7778%0.775SS**  trans28.1134.9136.5-47.2-41.2000124.9
975G34.9Very low36.5Very low72 Ų72143.1 Ų143.174%0.74277%0.767SS**  trans173.9115161.400000112.7
976P42.3Very low36Very low141 Ų141149.1 Ų149.192%0.91678%0.777SS**  trans-100.6175.7-158.738.7-37.8000117.7
977A32.4Very low35.4Very low88 Ų88149.7 Ų149.773%0.72779%0.789SS**  trans-96.8168.5-167.600000116.4
978Y34.9Very low35.1Very low238 Ų238148.7 Ų148.793%0.93379%0.79SS**  trans-136.7155.3156.3-105.5-89000111.8
979R33.1Very low35.4Very low230 Ų230146.1 Ų146.187%0.86878%0.78SS**  trans-126.9172.2-170.9-96.6-173.4173.9-175.6-0.2112
980Q35.6Very low35.4Very low179 Ų179149.4 Ų149.484%0.83678%0.783SS**  trans98.1120.4166.6-57.61788.400113.4
981S32.6Very low35.3Very low106 Ų106151.1 Ų151.174%0.74179%0.791SS**  64.6128.256.176.10000112.6
982S34.5Very low35.2Very low101 Ų101146 Ų14671%0.70679%0.785SS**  cis-168.5150.719.9470000114.1
983S31.5Very low35.1Very low88 Ų88146.8 Ų146.862%0.61579%0.789SS**  trans49.7144.3142.164.80000125
984H35.1Very low35.1Very low185 Ų185141.3 Ų141.386%0.85678%0.783SS**  trans86.8159.9162.8-53-23.8000117.9
985A30.9Very low35.5Very low78 Ų78140.3 Ų140.365%0.64578%0.784SS**  -170.6141.9-56.300000110.1
986Y32.6Very low35.6Very low235 Ų235144.4 Ų144.492%0.92279%0.789SS**  trans67.2153.1167.1-77.7-78.7000121.6
987A34.7Very low35.3Very low105 Ų105147.8 Ų147.887%0.86879%0.79SS**  trans97130.4160.400000119.4
988N31.2Very low35.5Very low150 Ų150147.9 Ų147.980%0.80279%0.785SS**  trans-132.5178-178.7-16125.2000105.3
989P44.3Very low35.5Very low76 Ų76143 Ų14349%0.49478%0.78SS.*  cis-120.6-170.5-36.113.910.9000112.5
990Y36Very low35.5Very low211 Ų211135.9 Ų135.983%0.82778%0.779SS**  trans117.6122.1146.9-67.6-69.9000119.4
991S33Very low35.3Very low108 Ų108135.7 Ų135.776%0.75578%0.783SS**  trans56.4125.9149.560.40000121
992V37.2Very low35.4Very low139 Ų139136 Ų13684%0.84279%0.785SS**  -174.5157.7105.7153.70000109.9
993H35.5Very low35.2Very low178 Ų178139.3 Ų139.382%0.82479%0.794SS**PPolyproline II helixtrans-70164.3-167.7-72.2-87.6000117.3
994P36.6Very low35.3Very low115 Ų115140 Ų14075%0.74780%0.799SS**PPolyproline II helixtrans-91.9167.117838.6-37000113.7
995P47.6Very low35Very low123 Ų123138.2 Ų138.280%0.79980%0.801SS**PPolyproline II helixtrans-103.5139.3163.935.5-27.6000113.2
996N36.1Very low35.2Very low158 Ų158140.6 Ų140.685%0.84581%0.807SS**PPolyproline II helixtrans-68.9153.7169-67.9-50.3000111.7
997F36.4Very low35.2Very low212 Ų212140 Ų14093%0.9380%0.803SS**  trans-123.5143.1150.9-111.7-85.4000110.4
998S36.6Very low35Very low91 Ų91143 Ų14364%0.63681%0.805SS**  trans-106144.3-157.356.20000114.6
999T34Very low35.2Very low134 Ų134141.3 Ų141.382%0.82281%0.805SS**  trans50.4112.5141.158.80000119.8
1000G33.4Very low34.8Very low82 Ų82148.6 Ų148.685%0.84582%0.823SS**  trans-144.3102.4156.600000110.6
1001L32.3Very low35.1Very low175 Ų175143.6 Ų143.692%0.91682%0.816SS**  trans-87.9128.9177.7-80.9156.8000111
1002S34.9Very low35.2Very low112 Ų112144 Ų14478%0.78382%0.816SS**  trans-170.9129.1141.457.60000112.5
1003N29.9Very low35.4Very low170 Ų170148.5 Ų148.591%0.90982%0.818SS**  trans-71.7131172.4-69.5-41.4000111.9
1004S33Very low35.5Very low102 Ų102148 Ų14871%0.71382%0.821SS**  trans-159.8107.1149.252.10000113.4V1006S1004-V1006 PolarHBondContact O-N 2.79Å
1005V29.7Very low35.7Very low148 Ų148150.8 Ų150.890%0.89783%0.828SS**  trans-9.4110.3155.8-175.50000116.3
1006V33.5Very low35.2Very low128 Ų128150.4 Ų150.478%0.77683%0.826SS**  trans-131.497.5163.1-176.70000112.1S1004S1004-V1006 PolarHBondContact O-N 2.79Å
1007R32.9Very low35.7Very low222 Ų222150.9 Ų150.984%0.83883%0.828SS**  trans44.5115.6141.5-63.7-178.6174178.7-2.5120.3S1009R1007-S1009 PolarHBondContact O-N 3.22Å
1008N31.3Very low36.1Very low169 Ų169144 Ų14490%0.90482%0.818SS**  trans-44.8121.6145.5-71.9-32.7000111.8
1009S34.9Very low36Very low115 Ų115152.3 Ų152.380%0.80484%0.835SS**  trans-11191.5163.152.90000109.6R1007R1007-S1009 PolarHBondContact O-N 3.22Å
1010R36.6Very low36.5Very low229 Ų229153.1 Ų153.186%0.86487%0.87SS**  trans-67.1143.3164.5-78.1-177.6170-174-4.3109.4
1011P42.3Very low36.7Very low106 Ų106156.7 Ų156.769%0.68887%0.871SS**  trans-63.5137163.3-15.329.6000110W1013P1011-W1013 PolarHBondContact O-N 2.92Å
1012P35.3Very low36.9Very low116 Ų116155.7 Ų155.775%0.75387%0.869SS**  trans-88.184.3-174.334.5-34.8000112.2
1013W41.4Very low37Very low234 Ų234158.1 Ų158.189%0.88687%0.873SS**  trans-135.148172.8-65.9119.2000113.9P1011P1011-W1013 PolarHBondContact O-N 2.92Å
1014L37.9Very low37.4Very low167 Ų167157.4 Ų157.487%0.87487%0.871SS**  trans-146.1107.4162.1-82.5177.7000109.3
1015L40.5Very low37.7Very low173 Ų173160.9 Ų160.991%0.90688%0.881SS**  trans-93.5121.8166.6-79.7170.3000109.2
1016P37.1Very low38.2Very low115 Ų115161.7 Ų161.775%0.74788%0.88SS**  trans-98.3113.2171.234-27000111.1
1017N46.8Very low38.6Very low168 Ų168164.1 Ų164.190%0.89889%0.888SS**  trans-149.5140.2162.6-83.5-34000105.8
1018G44.5Very low39Very low69 Ų69159.7 Ų159.771%0.71189%0.892SS**  cis-173.2167.8-2.600000107.4G1020G1018-G1020 PolarHBondContact O-N 3.39Å
1019R33.7Very low39.7Very low264 Ų264158.9 Ų158.9100%0.99689%0.89SS**  trans-61.5132.7-175.7-66.4177.1177.9178.9-1.9112.3
1020G44.9Very low40.1Very low151 Ų151162.9 Ų162.9100%1.55790%0.898SS**  trans-171.30170.700000108.7G1018G1018-G1020 PolarHBondContact O-N 3.39Å

Retrieved 1,020 of 1,020 residues in 2056 ms (Link to these results)

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