A0A087XIQ6_POEFO Loading...

Endonuclease 8-like 1

Involved in base excision repair of DNA damaged by oxidation or by mutagenic agents. Acts as a DNA glycosylase that recognizes and removes damaged bases. Has a preference for oxidized pyrimidines, such as thymine glycol, formamidopyrimidine (Fapy) and 5-hydroxyuracil. Has marginal activity towards 8-oxoguanine. Has AP (apurinic/apyrimidinic) lyase activity and introduces nicks in the DNA strand. Cleaves the DNA backbone by beta-delta elimination to generate a single-strand break at the site of the removed base with both 3'- and 5'-phosphates. Has DNA glycosylase/lyase activity towards mismatched uracil and thymine, in particular in U:C and T:C mismatches. Specifically binds 5-hydroxymethylcytosine (5hmC), suggesting that it acts as a specific reader of 5hmC.

AlphaFold DB , UniProt , Accession A0A087XIQ6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 316 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
1M74.8Confident93.1Very high134 Ų13421.5 Ų21.566%0.6611%0.108SC*.  0129.60-174.4-178.4-175.800105.8G89 M90M1-G89 VanDerWaalsContact CG-O 3.27Å; M1-G89 WeakPolarHBondContact CG-O 3.3Å; M1-M90 HydrophobicContact CB-CG 4.17Å; M1-M90 HydrophobicContact CG-CG 4.17Å
2P88.9Confident93.3Very high19 Ų1926.3 Ų26.312%0.12313%0.133CC..  trans-53.9141177.2-26.137.5000111.8E6 L7 F88 G89P2-E6 HydrophobicContact CB-CB 4.01Å; P2-L7 HydrophobicContact CB-CD1 4.47Å; P2-L7 HydrophobicContact CB-CD2 3.7Å; P2-F88 HydrophobicContact CB-CB 4.39Å; P2-F88 HydrophobicContact CG-CB 3.94Å; P2-F88 HydrophobicContact CG-CD2 4.39Å; P2-G89 WeakPolarHBondContact CD-O 3.21Å
3E96.4Very high93.4Very high4 Ų426.4 Ų26.42%0.01913%0.132CC..  trans-119.9-177.5175.4-54.5-168.5-169.900108.7P5 E6 L7 G183 N184 Y185 L186E3-P5 VanDerWaalsContact C-CD 3.44Å; E3-P5 VanDerWaalsContact C-N 3.31Å; E3-E6 VanDerWaalsContact C-OE2 3.26Å; E3-E6 VanDerWaalsContact CA-OE2 3.28Å; E3-E6 WeakPolarHBondContact CA-OE2 3.23Å; E3-E6 WeakPolarHBondContact CB-OE2 3.41Å; E3-E6 PolarHBondContact N-OE2 2.71Å; E3-E6 PolarHBondContact O-N 3.04Å; E3-L7 WeakPolarHBondContact O-CD2 3.48Å; E3-L7 PolarHBondContact O-N 3.29Å; E3-G183 VanDerWaalsContact CD-C 3.42Å; E3-G183 VanDerWaalsContact OE1-CA 3.31Å; E3-G183 WeakPolarHBondContact OE1-CA 3.08Å; E3-G183 WeakPolarHBondContact OE2-CA 3.47Å; E3-G183 PolarHBondContact OE2-N 2.59Å; E3-N184 PolarHBondContact OE1-N 3.47Å; E3-Y185 HydrophobicContact CB-CE1 3.78Å; E3-Y185 HydrophobicContact CG-CD1 3.86Å; E3-Y185 HydrophobicContact CG-CE1 3.43Å; E3-Y185 VanDerWaalsContact CG-CE1 3.43Å; E3-Y185 WeakPolarHBondContact OE1-CD1 3.45Å; E3-Y185 WeakPolarHBondContact OE1-CE1 3.34Å; E3-Y185 PolarHBondContact OE1-N 3.11Å; E3-L186 HydrophobicContact CB-CD1 3.96Å; E3-L186 WeakPolarHBondContact OE2-CB 3.35Å; E3-L186 VanDerWaalsContact OE2-CD1 3.23Å; E3-L186 WeakPolarHBondContact OE2-CD1 3.33Å; E3-L186 WeakPolarHBondContact OE2-CG 3.43Å; E3-L186 PolarHBondContact OE2-N 3.1Å
4G97.1Very high93.6Very high0 Ų024.5 Ų24.50%012%0.122CC..Hα-helixtrans-44.8-49.8-176.400000114.3E6 L7 H8 M146 G181G4-E6 PolarHBondContact O-N 3.1Å; G4-L7 PolarHBondContact O-N 3.45Å; G4-H8 PolarHBondContact O-N 2.69Å; G4-M146 VanDerWaalsContact O-CE 3.27Å; G4-M146 WeakPolarHBondContact O-CE 3.35Å; G4-G181 PolarHBondContact N-O 3.43Å
5P95.5Very high93.8Very high0 Ų026.5 Ų26.50%013%0.134CC..Hα-helixtrans-56.6-46.9-179.1-29.238.2000113.9E3 L7 H8 L9 M146 L186 P254 V257 V258E3-P5 VanDerWaalsContact C-CD 3.44Å; E3-P5 VanDerWaalsContact C-N 3.31Å; P5-L7 PolarHBondContact O-N 2.8Å; P5-H8 PolarHBondContact O-N 2.95Å; P5-L9 WeakPolarHBondContact O-CB 3.13Å; P5-L9 VanDerWaalsContact O-CG 3.26Å; P5-L9 WeakPolarHBondContact O-CG 3.46Å; P5-L9 PolarHBondContact O-N 3.25Å; P5-M146 HydrophobicContact CG-SD 4.28Å; P5-L186 HydrophobicContact CG-CD1 4.45Å; P5-P254 HydrophobicContact CG-CB 3.75Å; P5-P254 WeakPolarHBondContact CG-O 3.32Å; P5-V257 HydrophobicContact CB-CB 3.89Å; P5-V257 HydrophobicContact CB-CG1 3.66Å; P5-V257 HydrophobicContact CG-CB 3.91Å; P5-V257 HydrophobicContact CG-CG1 4.11Å; P5-V257 HydrophobicContact CG-CG2 4.47Å; P5-V258 HydrophobicContact CB-CG2 4Å
6E94Very high93.9Very high31 Ų3133.4 Ų33.415%0.14516%0.162CC..Hα-helixtrans-67.5-36.8-176.8-62.778.5-170.300112P2 E3 G4 A10 Y185P2-E6 HydrophobicContact CB-CB 4.01Å; E3-E6 VanDerWaalsContact C-OE2 3.26Å; E3-E6 VanDerWaalsContact CA-OE2 3.28Å; E3-E6 WeakPolarHBondContact CA-OE2 3.23Å; E3-E6 WeakPolarHBondContact CB-OE2 3.41Å; E3-E6 PolarHBondContact N-OE2 2.71Å; E3-E6 PolarHBondContact O-N 3.04Å; G4-E6 PolarHBondContact O-N 3.1Å; E6-A10 VanDerWaalsContact O-CB 3.3Å; E6-A10 WeakPolarHBondContact O-CB 3.23Å; E6-A10 PolarHBondContact O-N 3.38Å; E6-Y185 WeakPolarHBondContact OE1-CE1 3.37Å; E6-Y185 PolarHBondContact OE1-OH 2.75Å; E6-Y185 PolarHBondContact OE2-OH 3.1Å
7L95.8Very high93.9Very high2 Ų235.2 Ų35.21%0.0117%0.171CC..Hα-helixtrans-67.1-39.5175.3-75.4-40.9000111.1P2 E3 G4 P5 A10 S11 K54 V56 F88P2-L7 HydrophobicContact CB-CD1 4.47Å; P2-L7 HydrophobicContact CB-CD2 3.7Å; E3-L7 WeakPolarHBondContact O-CD2 3.48Å; E3-L7 PolarHBondContact O-N 3.29Å; G4-L7 PolarHBondContact O-N 3.45Å; P5-L7 PolarHBondContact O-N 2.8Å; L7-A10 PolarHBondContact O-N 2.87Å; L7-S11 PolarHBondContact O-N 3.01Å; L7-K54 HydrophobicContact CD2-CB 4.19Å; L7-V56 HydrophobicContact CB-CG2 3.78Å; L7-V56 HydrophobicContact CD1-CG2 3.89Å; L7-V56 HydrophobicContact CG-CG2 4.22Å; L7-V56 WeakPolarHBondContact O-CG2 3.41Å; L7-F88 HydrophobicContact CD1-CB 4.03Å; L7-F88 HydrophobicContact CD1-CD1 3.72Å; L7-F88 HydrophobicContact CD1-CD2 3.49Å; L7-F88 VanDerWaalsContact CD1-CD2 3.49Å; L7-F88 HydrophobicContact CD1-CE1 4.01Å; L7-F88 HydrophobicContact CD1-CE2 3.79Å; L7-F88 HydrophobicContact CD1-CG 3.46Å; L7-F88 VanDerWaalsContact CD1-CG 3.46Å; L7-F88 HydrophobicContact CD1-CZ 4.03Å
8H96.4Very high94.1Very high28 Ų2833.6 Ų33.613%0.1316%0.164CC..Hα-helixtrans-63.2-50.3175-179.258.9000112G4 P5 A10 S11 L12 S51 M146 F147G4-H8 PolarHBondContact O-N 2.69Å; P5-H8 PolarHBondContact O-N 2.95Å; H8-A10 VanDerWaalsContact C-N 3.27Å; H8-A10 PolarHBondContact O-N 2.87Å; H8-S11 WeakPolarHBondContact O-CB 3.37Å; H8-S11 PolarHBondContact O-N 3.11Å; H8-S11 PolarHBondContact O-OG 2.83Å; H8-L12 PolarHBondContact O-N 3.05Å; H8-S51 WeakPolarHBondContact CA-OG 3.48Å; H8-S51 PolarHBondContact ND1-OG 3.13Å; H8-S51 VanDerWaalsContact ND1-OG 3.08Å; H8-M146 HydrophobicContact CB-CE 3.88Å; H8-F147 HydrophobicContact CB-CE2 4.04Å; H8-F147 HydrophobicContact CB-CZ 4.38Å; H8-F147 AromaticContact CD2-CZ 3.54Å; H8-F147 AromaticContact CE1-CE2 3.61Å; H8-F147 AromaticContact CE1-CZ 3.34Å; H8-F147 WeakPolarHBondContact CE1-CZ 3.34Å; H8-F147 AromaticContact CG-CE2 3.5Å; H8-F147 VanDerWaalsContact CG-CE2 3.5Å; H8-F147 AromaticContact CG-CZ 3.53Å; H8-F147 AromaticContact ND1-CE2 3.24Å; H8-F147 WeakPolarHBondContact ND1-CE2 3.44Å; H8-F147 AromaticContact ND1-CZ 3.43Å; H8-F147 WeakPolarHBondContact ND1-CZ 3.39Å; H8-F147 AromaticContact NE2-CZ 3.42Å; H8-F147 WeakPolarHBondContact NE2-CZ 3.25Å
9L94.1Very high94.2Very high15 Ų1539.2 Ų39.28%0.07920%0.195CC..Hα-helixtrans-59.2-38.3177.6-70.1169000112.2P5 L12 Y13 V258 V261 Y266P5-L9 WeakPolarHBondContact O-CB 3.13Å; P5-L9 VanDerWaalsContact O-CG 3.26Å; P5-L9 WeakPolarHBondContact O-CG 3.46Å; P5-L9 PolarHBondContact O-N 3.25Å; L9-L12 PolarHBondContact O-N 3.09Å; L9-Y13 WeakPolarHBondContact O-CB 3.44Å; L9-Y13 PolarHBondContact O-N 3.14Å; L9-V258 HydrophobicContact CD2-CG1 4.34Å; L9-V261 HydrophobicContact CD1-CB 3.98Å; L9-V261 HydrophobicContact CD1-CG1 4.25Å; L9-V261 HydrophobicContact CD1-CG2 3.6Å; L9-V261 HydrophobicContact CD2-CB 3.93Å; L9-V261 HydrophobicContact CD2-CG1 4.02Å; L9-V261 HydrophobicContact CD2-CG2 4.49Å; L9-Y266 HydrophobicContact CB-CD2 3.8Å; L9-Y266 HydrophobicContact CB-CG 4.14Å; L9-Y266 HydrophobicContact CD1-CD2 4.49Å
10A94.6Very high94.2Very high0 Ų040.3 Ų40.30%022%0.217CC..Hα-helixtrans-64.6-38.117400000112.5E6 L7 H8 Y13 V14 F88 Y266E6-A10 VanDerWaalsContact O-CB 3.3Å; E6-A10 WeakPolarHBondContact O-CB 3.23Å; E6-A10 PolarHBondContact O-N 3.38Å; L7-A10 PolarHBondContact O-N 2.87Å; H8-A10 VanDerWaalsContact C-N 3.27Å; H8-A10 PolarHBondContact O-N 2.87Å; A10-Y13 WeakPolarHBondContact O-CB 3.37Å; A10-Y13 PolarHBondContact O-N 3.07Å; A10-V14 WeakPolarHBondContact O-CG2 2.92Å; A10-V14 PolarHBondContact O-N 2.77Å; A10-F88 HydrophobicContact CB-CE2 3.58Å; A10-F88 HydrophobicContact CB-CZ 3.68Å; A10-Y266 HydrophobicContact CB-CD1 4.4Å; A10-Y266 HydrophobicContact CB-CE1 3.99Å
11S96.6Very high94.4Very high3 Ų338.8 Ų38.82%0.02121%0.209CC..Hα-helixtrans-65.2-40.5174.777.50000112.1L7 H8 V14 N15L7-S11 PolarHBondContact O-N 3.01Å; H8-S11 WeakPolarHBondContact O-CB 3.37Å; H8-S11 PolarHBondContact O-N 3.11Å; H8-S11 PolarHBondContact O-OG 2.83Å; S11-V14 PolarHBondContact O-N 2.65Å; S11-N15 PolarHBondContact O-N 2.86Å; S11-N15 PolarHBondContact O-ND2 3.09Å
12L95.1Very high95.5Very high79 Ų7934.5 Ų34.541%0.41419%0.19SC..Hα-helixtrans-64.1-41.2174.5-64.5-177.6000111.6H8 L9 N15 K16H8-L12 PolarHBondContact O-N 3.05Å; L9-L12 PolarHBondContact O-N 3.09Å; L12-N15 PolarHBondContact O-N 2.83Å; L12-K16 WeakPolarHBondContact O-CB 3.5Å; L12-K16 PolarHBondContact O-N 3.07Å
13Y94.4Very high95.9Very high28 Ų2833.6 Ų33.611%0.1118%0.184CC..Hα-helixtrans-58.1-49.9174.3171.8-95.7000111.7L9 A10 N15 K16 M17 F94 F96 Y266L9-Y13 WeakPolarHBondContact O-CB 3.44Å; L9-Y13 PolarHBondContact O-N 3.14Å; A10-Y13 WeakPolarHBondContact O-CB 3.37Å; A10-Y13 PolarHBondContact O-N 3.07Å; Y13-N15 VanDerWaalsContact C-N 3.33Å; Y13-N15 PolarHBondContact O-N 3.47Å; Y13-K16 PolarHBondContact O-N 2.95Å; Y13-M17 HydrophobicContact CD1-CG 4.25Å; Y13-M17 HydrophobicContact CD2-CG 3.8Å; Y13-M17 HydrophobicContact CE1-CG 3.95Å; Y13-M17 HydrophobicContact CE2-CG 3.48Å; Y13-M17 VanDerWaalsContact CE2-CG 3.48Å; Y13-M17 HydrophobicContact CE2-SD 4.05Å; Y13-M17 HydrophobicContact CG-CG 4.2Å; Y13-M17 WeakPolarHBondContact O-CB 3.28Å; Y13-M17 VanDerWaalsContact O-CG 3.28Å; Y13-M17 WeakPolarHBondContact O-CG 3.46Å; Y13-M17 PolarHBondContact O-N 2.88Å; Y13-F94 HydrophobicContact CD1-CB 4.33Å; Y13-F94 HydrophobicContact CE1-CB 4.41Å; Y13-F96 PolarHBondContact OH-N 3.3Å; Y13-Y266 WeakPolarHBondContact CD2-O 3.45Å; Y13-Y266 WeakPolarHBondContact CE2-O 3.18Å; Y13-Y266 HydrophobicContact CG-CD1 4.32Å
14V96.6Very high95.9Very high0 Ų034.4 Ų34.40%019%0.19CC..Hα-helixtrans-58.9-47.4179.2172.50000110.6A10 S11 K16 M17 C18 I47 A49 L58 F94 L120A10-V14 WeakPolarHBondContact O-CG2 2.92Å; A10-V14 PolarHBondContact O-N 2.77Å; S11-V14 PolarHBondContact O-N 2.65Å; V14-K16 VanDerWaalsContact C-N 3.35Å; V14-K16 PolarHBondContact O-N 3.29Å; V14-M17 PolarHBondContact O-N 3.46Å; V14-C18 WeakPolarHBondContact O-CB 2.94Å; V14-C18 PolarHBondContact O-N 3.43Å; V14-C18 PolarHBondContact O-SG 3.47Å; V14-I47 HydrophobicContact CG1-CG2 4.18Å; V14-A49 HydrophobicContact CB-CB 3.74Å; V14-A49 HydrophobicContact CG1-CB 3.77Å; V14-L58 HydrophobicContact CB-CD2 4.44Å; V14-L58 HydrophobicContact CG1-CD2 3.82Å; V14-L58 HydrophobicContact CG2-CD2 4.34Å; V14-F94 HydrophobicContact CG2-CB 3.77Å; V14-F94 HydrophobicContact CG2-CD1 4.37Å; V14-F94 HydrophobicContact CG2-CD2 3.61Å; V14-F94 HydrophobicContact CG2-CE2 4.31Å; V14-F94 HydrophobicContact CG2-CG 3.66Å; V14-L120 HydrophobicContact CG1-CD2 4.13Å; V14-L120 HydrophobicContact CG2-CD1 4.43Å
15N97Very high95.8Very high55 Ų5535.3 Ų35.329%0.29420%0.199SC..Hα-helixtrans-59.6-44.6177.8-73.6-31.3000112.2S11 L12 Y13 D19 T48 A49S11-N15 PolarHBondContact O-N 2.86Å; S11-N15 PolarHBondContact O-ND2 3.09Å; L12-N15 PolarHBondContact O-N 2.83Å; Y13-N15 VanDerWaalsContact C-N 3.33Å; Y13-N15 PolarHBondContact O-N 3.47Å; N15-D19 WeakPolarHBondContact O-CB 3.36Å; N15-D19 PolarHBondContact O-N 3.02Å; N15-D19 VanDerWaalsContact O-N 3.09Å; N15-T48 WeakPolarHBondContact OD1-CA 3.48Å; N15-A49 PolarHBondContact ND2-O 3.41Å; N15-A49 PolarHBondContact OD1-N 3.23Å; N15-A49 PolarHBondContact OD1-O 3.05Å
16K95Very high95.9Very high137 Ų13738.2 Ų38.260%0.59622%0.218SC*.Hα-helixtrans-62.6-45.7178-178.4-179.7179.3-179.80112L12 Y13 V14L12-K16 WeakPolarHBondContact O-CB 3.5Å; L12-K16 PolarHBondContact O-N 3.07Å; Y13-K16 PolarHBondContact O-N 2.95Å; V14-K16 VanDerWaalsContact C-N 3.35Å; V14-K16 PolarHBondContact O-N 3.29Å
17M94.8Very high96Very high64 Ų6437.1 Ų37.132%0.31521%0.214SC..Hα-helixtrans-77.8-26.2-175.1-62.6-53.2-67.100113.1Y13 V14 V21 F96Y13-M17 HydrophobicContact CD1-CG 4.25Å; Y13-M17 HydrophobicContact CD2-CG 3.8Å; Y13-M17 HydrophobicContact CE1-CG 3.95Å; Y13-M17 HydrophobicContact CE2-CG 3.48Å; Y13-M17 VanDerWaalsContact CE2-CG 3.48Å; Y13-M17 HydrophobicContact CE2-SD 4.05Å; Y13-M17 HydrophobicContact CG-CG 4.2Å; Y13-M17 WeakPolarHBondContact O-CB 3.28Å; Y13-M17 VanDerWaalsContact O-CG 3.28Å; Y13-M17 WeakPolarHBondContact O-CG 3.46Å; Y13-M17 PolarHBondContact O-N 2.88Å; V14-M17 PolarHBondContact O-N 3.46Å; M17-V21 WeakPolarHBondContact O-CG2 3.4Å; M17-F96 HydrophobicContact CB-CB 4.04Å; M17-F96 HydrophobicContact CB-CD1 4.28Å; M17-F96 HydrophobicContact CB-CG 4.21Å; M17-F96 HydrophobicContact CE-CB 4.18Å; M17-F96 HydrophobicContact CE-CD1 3.94Å; M17-F96 HydrophobicContact CG-CB 4.34Å
18C96.4Very high96.1Very high6 Ų639.9 Ų39.94%0.04123%0.228CC..Hα-helixtrans-95.9-2.6-179.9-57.90000113.2V14 G20 V21 F23 I47V14-C18 WeakPolarHBondContact O-CB 2.94Å; V14-C18 PolarHBondContact O-N 3.43Å; V14-C18 PolarHBondContact O-SG 3.47Å; C18-G20 PolarHBondContact O-N 3.08Å; C18-V21 WeakPolarHBondContact O-CB 3.48Å; C18-V21 PolarHBondContact O-N 3.12Å; C18-F23 HydrophobicContact CB-CE2 4.13Å; C18-F23 HydrophobicContact CB-CZ 4.43Å; C18-I47 HydrophobicContact CB-CB 4.46Å
19D96.2Very high96.2Very high140 Ų14040 Ų4075%0.74923%0.228SC*.THydrogen-bonded Turntrans-60.8129.3178.6-172.432.8000111.1N15 V21N15-D19 WeakPolarHBondContact O-CB 3.36Å; N15-D19 PolarHBondContact O-N 3.02Å; N15-D19 VanDerWaalsContact O-N 3.09Å; D19-V21 PolarHBondContact O-N 2.65Å
20G95.2Very high96.4Very high61 Ų6140 Ų4063%0.62923%0.229SC*.THydrogen-bonded Turntrans65.7-2.2-173.600000116.1C18C18-G20 PolarHBondContact O-N 3.08Å
21V96.9Very high96.5Very high9 Ų949.2 Ų49.26%0.05527%0.272CS..  trans-84.6134.9-177.1-178.50000111M17 C18 D19 F23 F96 T112M17-V21 WeakPolarHBondContact O-CG2 3.4Å; C18-V21 WeakPolarHBondContact O-CB 3.48Å; C18-V21 PolarHBondContact O-N 3.12Å; D19-V21 PolarHBondContact O-N 2.65Å; V21-F23 HydrophobicContact CB-CE2 4.03Å; V21-F23 HydrophobicContact CG1-CD2 4.14Å; V21-F23 HydrophobicContact CG1-CE2 3.64Å; V21-F23 HydrophobicContact CG1-CZ 3.93Å; V21-F96 HydrophobicContact CG1-CZ 4.14Å; V21-F96 HydrophobicContact CG2-CZ 4.46Å; V21-T112 HydrophobicContact CG1-CG2 3.37Å
22V97.8Very high96.5Very high44 Ų4452.7 Ų52.727%0.26729%0.293SS..  trans-105.4125.8175-176.40000109.8M63 T112 K113V22-M63 HydrophobicContact CG1-SD 4.05Å; V22-M63 HydrophobicContact CG2-SD 3.89Å; V22-T112 WeakPolarHBondContact O-CA 3.19Å; V22-K113 HydrophobicContact CB-CB 4.43Å; V22-K113 HydrophobicContact CG1-CB 4.12Å; V22-K113 HydrophobicContact CG1-CD 4.04Å; V22-K113 PolarHBondContact O-N 2.79Å
23F97.9Very high96.5Very high0 Ų049.4 Ų49.40%028%0.277CS..EExtended strand (participates in β ladder)trans-99.9156.5175.4-64.2-99.5000111.1C18 V21 S44 F45 I47 F96 F110 Y111 T112 L120C18-F23 HydrophobicContact CB-CE2 4.13Å; C18-F23 HydrophobicContact CB-CZ 4.43Å; V21-F23 HydrophobicContact CB-CE2 4.03Å; V21-F23 HydrophobicContact CG1-CD2 4.14Å; V21-F23 HydrophobicContact CG1-CE2 3.64Å; V21-F23 HydrophobicContact CG1-CZ 3.93Å; F23-S44 CarbonylContact O-C 3.53Å; F23-S44 VanDerWaalsContact O-CA 3.29Å; F23-S44 WeakPolarHBondContact O-CA 3.23Å; F23-F45 HydrophobicContact CB-CD1 3.97Å; F23-F45 HydrophobicContact CB-CD2 3.82Å; F23-F45 HydrophobicContact CB-CE1 3.6Å; F23-F45 HydrophobicContact CB-CE2 3.43Å; F23-F45 VanDerWaalsContact CB-CE2 3.43Å; F23-F45 HydrophobicContact CB-CG 4.08Å; F23-F45 HydrophobicContact CB-CZ 3.32Å; F23-F45 HydrophobicContact CG-CE2 4.13Å; F23-F45 HydrophobicContact CG-CZ 4.3Å; F23-F45 PolarHBondContact N-O 2.97Å; F23-F45 WeakPolarHBondContact O-CD1 3.36Å; F23-F45 PolarHBondContact O-N 2.97Å; F23-I47 HydrophobicContact CD1-CD1 3.83Å; F23-I47 HydrophobicContact CD2-CB 4.42Å; F23-I47 HydrophobicContact CD2-CD1 3.82Å; F23-I47 HydrophobicContact CD2-CG1 3.68Å; F23-I47 HydrophobicContact CE1-CD1 3.81Å; F23-I47 HydrophobicContact CE2-CB 4.14Å; F23-I47 HydrophobicContact CE2-CD1 3.81Å; F23-I47 HydrophobicContact CE2-CG1 3.8Å; F23-I47 HydrophobicContact CG-CD1 3.83Å; F23-I47 HydrophobicContact CG-CG1 4.09Å; F23-I47 HydrophobicContact CZ-CD1 3.81Å; F23-I47 HydrophobicContact CZ-CG1 4.31Å; F23-F96 HydrophobicContact CE1-CE2 4.02Å; F23-F96 AromaticContact CZ-CE2 3.83Å; F23-F96 HydrophobicContact CZ-CE2 3.83Å; F23-F110 HydrophobicContact CD1-CB 3.85Å; F23-F110 HydrophobicContact CE1-CB 4.02Å; F23-Y111 WeakPolarHBondContact CA-O 2.91Å; F23-Y111 WeakPolarHBondContact CD1-O 3.47Å; F23-T112 HydrophobicContact CD1-CG2 4.12Å; F23-T112 HydrophobicContact CE1-CG2 3.91Å; F23-T112 HydrophobicContact CZ-CG2 4.27Å; F23-L120 HydrophobicContact CE1-CB 3.95Å; F23-L120 HydrophobicContact CZ-CB 4.23Å
24S96.6Very high96.6Very high21 Ų2158.3 Ų58.315%0.14732%0.316CS..EExtended strand (participates in β ladder)trans-153.8151.8-18064.30000112.7C42 D43 Y111 K113S24-C42 CarbonylContact C-O 3.46Å; S24-C42 WeakPolarHBondContact CA-O 3.2Å; S24-D43 WeakPolarHBondContact CB-O 3.14Å; S24-Y111 PolarHBondContact N-O 3.07Å; S24-K113 WeakPolarHBondContact OG-CA 3.36Å
25G95.6Very high96.7Very high18 Ų1859.8 Ų59.819%0.18632%0.324CS..EExtended strand (participates in β ladder)trans86.7-165.4177.600000112.7C42G25-C42 PolarHBondContact N-O 3.03Å; G25-C42 PolarHBondContact O-N 2.89Å
26P96.6Very high96.7Very high62 Ų6260 Ų6040%0.40333%0.329SS..EExtended strand (participates in β ladder)trans-75.3153.7-17930.5-36000112.7I28 F40 T41P26-I28 HydrophobicContact CB-CD1 4.11Å; P26-I28 HydrophobicContact CG-CD1 3.68Å; P26-F40 WeakPolarHBondContact CA-O 3.43Å; P26-T41 HydrophobicContact CB-CG2 4.47Å
27V97.6Very high96.8Very high8 Ų859 Ų595%0.04833%0.326CS..  trans-76.3126.4163.4-176.20000109V38 F40 L60 L108 F110V27-V38 HydrophobicContact CB-CB 4.01Å; V27-V38 HydrophobicContact CB-CG1 3.92Å; V27-V38 HydrophobicContact CG1-CB 3.92Å; V27-V38 HydrophobicContact CG1-CG1 4.06Å; V27-V38 HydrophobicContact CG1-CG2 4.37Å; V27-V38 HydrophobicContact CG2-CG1 3.97Å; V27-F40 HydrophobicContact CG2-CB 4.08Å; V27-F40 HydrophobicContact CG2-CD1 3.97Å; V27-F40 HydrophobicContact CG2-CG 4.45Å; V27-F40 PolarHBondContact N-O 2.76Å; V27-L60 HydrophobicContact CG2-CD1 3.92Å; V27-L108 HydrophobicContact CG1-CD1 3.61Å; V27-L108 HydrophobicContact CG1-CD2 4.31Å; V27-L108 HydrophobicContact CG1-CG 3.82Å; V27-F110 HydrophobicContact CB-CD1 4.39Å; V27-F110 HydrophobicContact CB-CE1 4.29Å; V27-F110 HydrophobicContact CG1-CD1 3.88Å; V27-F110 HydrophobicContact CG1-CE1 3.53Å; V27-F110 HydrophobicContact CG1-CZ 4.01Å; V27-F110 HydrophobicContact CG2-CD1 3.71Å; V27-F110 HydrophobicContact CG2-CE1 3.71Å
28I97.8Very high96.9Very high59 Ų5956.3 Ų56.330%0.30331%0.313SS..EExtended strand (participates in β ladder)trans-105.7114.9-173.8-55.7-60.5000111.1P26 L108 R109 Y111P26-I28 HydrophobicContact CB-CD1 4.11Å; P26-I28 HydrophobicContact CG-CD1 3.68Å; I28-L108 CarbonylContact O-C 3.6Å; I28-L108 WeakPolarHBondContact O-CA 3.34Å; I28-R109 HydrophobicContact CB-CB 4.38Å; I28-R109 VanDerWaalsContact CG2-NH2 3.26Å; I28-R109 PolarHBondContact N-O 2.89Å; I28-R109 PolarHBondContact O-N 3.33Å; I28-Y111 HydrophobicContact CB-CE2 4.24Å; I28-Y111 HydrophobicContact CG1-CD2 4.34Å; I28-Y111 HydrophobicContact CG1-CE2 3.89Å
29K98.3Very high96.8Very high31 Ų3160.5 Ų60.514%0.13535%0.348CS..EExtended strand (participates in β ladder)trans-84.3146.1167.8-173.517357.860.40110.8N35 E37 H107 L108 W131K29-N35 WeakPolarHBondContact CD-O 3.47Å; K29-N35 WeakPolarHBondContact CE-O 3.4Å; K29-E37 WeakPolarHBondContact CB-OE2 3.29Å; K29-E37 WeakPolarHBondContact CE-OE1 3.34Å; K29-E37 WeakPolarHBondContact CE-OE2 3.15Å; K29-E37 IonicContact NZ-OE1 3.03Å; K29-E37 PolarHBondContact NZ-OE1 3.48Å; K29-E37 IonicContact NZ-OE2 2.77Å; K29-H107 CarbonylContact C-O 3.58Å; K29-H107 WeakPolarHBondContact CA-O 3.27Å; K29-L108 HydrophobicContact CB-CD1 4.08Å; K29-W131 HydrophobicContact CD-CH2 4.21Å; K29-W131 HydrophobicContact CD-CZ2 3.5Å; K29-W131 HydrophobicContact CG-CH2 4.2Å; K29-W131 HydrophobicContact CG-CZ2 3.75Å
30S97.2Very high96.7Very high14 Ų1454.5 Ų54.510%0.09832%0.315CS..  trans-72.5144.1168.669.30000111.1V32 S33 H107S30-V32 PolarHBondContact O-N 3.08Å; S30-V32 VanDerWaalsContact O-N 3.17Å; S30-S33 PolarHBondContact O-N 2.95Å; S30-S33 VanDerWaalsContact O-N 3.15Å; S30-H107 PolarHBondContact N-O 2.94Å; S30-H107 PolarHBondContact OG-ND1 3.32Å
31E96.2Very high96.6Very high194 Ų19456.2 Ų56.291%0.90731%0.314SS*.THydrogen-bonded Turntrans-56.8-34.9178.9-63179.8173.800113.6S33E31-S33 VanDerWaalsContact C-N 3.28Å; E31-S33 PolarHBondContact O-N 3.44Å
32V96.6Very high96.4Very high77 Ų7756.6 Ų56.647%0.46732%0.316SS..THydrogen-bonded Turntrans-77.6-8.2-176.2-58.60000114.7S30 R127S30-V32 PolarHBondContact O-N 3.08Å; S30-V32 VanDerWaalsContact O-N 3.17Å; V32-R127 PolarHBondContact O-NH1 2.83Å
33S96Very high96.2Very high10 Ų1061 Ų617%0.0734%0.339CS..  trans-84.4130-179.8-178.80000110.6S30 E31 N35 W131S30-S33 PolarHBondContact O-N 2.95Å; S30-S33 VanDerWaalsContact O-N 3.15Å; E31-S33 VanDerWaalsContact C-N 3.28Å; E31-S33 PolarHBondContact O-N 3.44Å; S33-N35 VanDerWaalsContact C-N 3.3Å; S33-N35 PolarHBondContact OG-N 3.33Å; S33-W131 WeakPolarHBondContact OG-CH2 3.21Å
34K96.9Very high96.1Very high214 Ų21461.9 Ų61.993%0.9335%0.345SS*.  trans-84.1-2.6176.2-62.3-176.1178.7-177.50113.7
35N97.9Very high96.1Very high31 Ų3161 Ų6117%0.16634%0.338CS..SBendtrans-71.1159176.5-78.7-67.6000111.4K29 S33 G129 S130 W131K29-N35 WeakPolarHBondContact CD-O 3.47Å; K29-N35 WeakPolarHBondContact CE-O 3.4Å; S33-N35 VanDerWaalsContact C-N 3.3Å; S33-N35 PolarHBondContact OG-N 3.33Å; N35-G129 PolarHBondContact ND2-O 3.12Å; N35-S130 WeakPolarHBondContact OD1-CA 3.44Å; N35-S130 WeakPolarHBondContact OD1-CB 3.48Å; N35-W131 HydrophobicContact CB-CD2 3.59Å; N35-W131 HydrophobicContact CB-CE3 3.7Å; N35-W131 HydrophobicContact CB-CG 4.42Å; N35-W131 HydrophobicContact CB-CH2 3.56Å; N35-W131 HydrophobicContact CB-CZ2 3.37Å; N35-W131 HydrophobicContact CB-CZ3 3.68Å; N35-W131 WeakPolarHBondContact ND2-CZ3 3.45Å; N35-W131 PolarHBondContact OD1-N 3.29Å
36P97.4Very high96.2Very high61 Ų6166.3 Ų66.340%0.39635%0.353SS..PPolyproline II helixtrans-60.9150.6-179.125-35.9000112.9W131 P133P36-W131 WeakPolarHBondContact CD-O 3.32Å; P36-W131 VanDerWaalsContact CG-O 3.28Å; P36-W131 WeakPolarHBondContact CG-O 3.45Å; P36-W131 PolarHBondContact O-NE1 2.73Å; P36-P133 HydrophobicContact CB-CG 4.35Å; P36-P133 HydrophobicContact CG-CG 4.31Å
37E97.1Very high96.3Very high116 Ų11663.6 Ų63.654%0.54234%0.335SS..PPolyproline II helixtrans-63.8148.3167-69.1-62.3160.100110.9K29K29-E37 WeakPolarHBondContact CB-OE2 3.29Å; K29-E37 WeakPolarHBondContact CE-OE1 3.34Å; K29-E37 WeakPolarHBondContact CE-OE2 3.15Å; K29-E37 IonicContact NZ-OE1 3.03Å; K29-E37 PolarHBondContact NZ-OE1 3.48Å; K29-E37 IonicContact NZ-OE2 2.77Å
38V96.5Very high96.3Very high6 Ų666.5 Ų66.54%0.03635%0.353CS..  trans-105.494.4173.7-1790000107.5V27 F40 M82 I84 L108 P133V27-V38 HydrophobicContact CB-CB 4.01Å; V27-V38 HydrophobicContact CB-CG1 3.92Å; V27-V38 HydrophobicContact CG1-CB 3.92Å; V27-V38 HydrophobicContact CG1-CG1 4.06Å; V27-V38 HydrophobicContact CG1-CG2 4.37Å; V27-V38 HydrophobicContact CG2-CG1 3.97Å; V38-F40 HydrophobicContact CG1-CB 4.07Å; V38-F40 PolarHBondContact O-N 2.89Å; V38-M82 HydrophobicContact CG1-SD 3.78Å; V38-I84 HydrophobicContact CG1-CD1 3.61Å; V38-I84 HydrophobicContact CG1-CG1 4.35Å; V38-I84 HydrophobicContact CG2-CD1 4.24Å; V38-L108 HydrophobicContact CG2-CD1 3.87Å; V38-L108 HydrophobicContact CG2-CD2 4.14Å; V38-P133 HydrophobicContact CG1-CB 4.5Å; V38-P133 HydrophobicContact CG2-CB 4.32Å
39A94.2Very high96.4Very high94 Ų9463.9 Ų63.978%0.77734%0.34SS*.  trans-74.767.5179.900000111.3
40F93.8Very high96.3Very high15 Ų1565.6 Ų65.67%0.06635%0.353CS..  trans-131.5125.5177.8-177.5-88.4000109.8P26 V27 V38 C42 F45 L60 P62 M82P26-F40 WeakPolarHBondContact CA-O 3.43Å; V27-F40 HydrophobicContact CG2-CB 4.08Å; V27-F40 HydrophobicContact CG2-CD1 3.97Å; V27-F40 HydrophobicContact CG2-CG 4.45Å; V27-F40 PolarHBondContact N-O 2.76Å; V38-F40 HydrophobicContact CG1-CB 4.07Å; V38-F40 PolarHBondContact O-N 2.89Å; F40-C42 HydrophobicContact CE1-CB 3.73Å; F40-C42 HydrophobicContact CZ-CB 3.74Å; F40-F45 HydrophobicContact CD1-CZ 4.48Å; F40-F45 HydrophobicContact CE1-CB 4.37Å; F40-F45 AromaticContact CE1-CD1 3.78Å; F40-F45 HydrophobicContact CE1-CD1 3.78Å; F40-F45 AromaticContact CE1-CD2 3.86Å; F40-F45 HydrophobicContact CE1-CD2 3.86Å; F40-F45 AromaticContact CE1-CE1 3.88Å; F40-F45 HydrophobicContact CE1-CE1 3.88Å; F40-F45 AromaticContact CE1-CE2 3.97Å; F40-F45 HydrophobicContact CE1-CE2 3.97Å; F40-F45 AromaticContact CE1-CG 3.76Å; F40-F45 HydrophobicContact CE1-CG 3.76Å; F40-F45 AromaticContact CE1-CZ 3.97Å; F40-F45 HydrophobicContact CE1-CZ 3.97Å; F40-F45 HydrophobicContact CZ-CB 4.22Å; F40-F45 HydrophobicContact CZ-CD1 4.42Å; F40-F45 HydrophobicContact CZ-CD2 4.29Å; F40-F45 HydrophobicContact CZ-CG 4.08Å; F40-L60 HydrophobicContact CB-CD1 4.36Å; F40-L60 HydrophobicContact CD1-CD1 3.61Å; F40-L60 HydrophobicContact CD2-CD1 4.23Å; F40-L60 HydrophobicContact CE1-CB 4.06Å; F40-L60 HydrophobicContact CE1-CD1 3.86Å; F40-L60 HydrophobicContact CE2-CB 4.04Å; F40-L60 HydrophobicContact CE2-CD1 4.45Å; F40-L60 HydrophobicContact CG-CD1 3.8Å; F40-L60 HydrophobicContact CZ-CB 3.76Å; F40-L60 HydrophobicContact CZ-CD1 4.27Å; F40-P62 HydrophobicContact CE2-CG 4.39Å; F40-P62 HydrophobicContact CZ-CG 4.34Å; F40-M82 HydrophobicContact CB-CE 3.86Å; F40-M82 HydrophobicContact CB-SD 3.75Å; F40-M82 HydrophobicContact CD2-CB 3.74Å; F40-M82 HydrophobicContact CD2-CE 4.01Å; F40-M82 HydrophobicContact CD2-SD 4.16Å; F40-M82 HydrophobicContact CE2-CB 4.09Å; F40-M82 HydrophobicContact CG-CE 4.43Å; F40-M82 HydrophobicContact CG-SD 4.31Å
41T94.1Very high96.4Very high96 Ų9665.9 Ų65.959%0.58936%0.355SS*.EExtended strand (participates in β ladder)trans-140.4126.7174.4-58.80000107.9P26P26-T41 HydrophobicContact CB-CG2 4.47Å
42C93.2Very high96.5Very high17 Ų1758.5 Ų58.512%0.11532%0.319CS..EExtended strand (participates in β ladder)trans-148.6141.6-179.8-177.30000110.4S24 G25 F40 S44 F45S24-C42 CarbonylContact C-O 3.46Å; S24-C42 WeakPolarHBondContact CA-O 3.2Å; G25-C42 PolarHBondContact N-O 3.03Å; G25-C42 PolarHBondContact O-N 2.89Å; F40-C42 HydrophobicContact CE1-CB 3.73Å; F40-C42 HydrophobicContact CZ-CB 3.74Å; C42-S44 VanDerWaalsContact C-N 3.29Å; C42-S44 PolarHBondContact O-N 2.89Å; C42-S44 PolarHBondContact SG-O 3.39Å; C42-F45 HydrophobicContact CB-CB 4.34Å; C42-F45 HydrophobicContact CB-CD1 3.82Å; C42-F45 HydrophobicContact CB-CG 4.4Å
43D92.8Very high96.6Very high138 Ų13854.9 Ų54.974%0.73830%0.297SS*.EExtended strand (participates in β ladder)trans-67.1-31.2-178.4-72.5-15.4000112.7S24S24-D43 WeakPolarHBondContact CB-O 3.14Å
44S95.6Very high96.6Very high18 Ų1855.4 Ų55.413%0.12630%0.298CS..EExtended strand (participates in β ladder)trans-155121178.7-65.40000109.7F23 C42 M63 K113F23-S44 CarbonylContact O-C 3.53Å; F23-S44 VanDerWaalsContact O-CA 3.29Å; F23-S44 WeakPolarHBondContact O-CA 3.23Å; C42-S44 VanDerWaalsContact C-N 3.29Å; C42-S44 PolarHBondContact O-N 2.89Å; C42-S44 PolarHBondContact SG-O 3.39Å; S44-M63 PolarHBondContact O-N 3.33Å; S44-K113 WeakPolarHBondContact OG-CD 3.28Å; S44-K113 PolarHBondContact OG-NZ 3.39Å
45F97.1Very high96.7Very high2 Ų245.2 Ų45.21%0.00925%0.254CS..EExtended strand (participates in β ladder)trans-146.2160177.564.6-82.3000111.5F23 F40 C42 I47 L60 T61F23-F45 HydrophobicContact CB-CD1 3.97Å; F23-F45 HydrophobicContact CB-CD2 3.82Å; F23-F45 HydrophobicContact CB-CE1 3.6Å; F23-F45 HydrophobicContact CB-CE2 3.43Å; F23-F45 VanDerWaalsContact CB-CE2 3.43Å; F23-F45 HydrophobicContact CB-CG 4.08Å; F23-F45 HydrophobicContact CB-CZ 3.32Å; F23-F45 HydrophobicContact CG-CE2 4.13Å; F23-F45 HydrophobicContact CG-CZ 4.3Å; F23-F45 PolarHBondContact N-O 2.97Å; F23-F45 WeakPolarHBondContact O-CD1 3.36Å; F23-F45 PolarHBondContact O-N 2.97Å; F40-F45 HydrophobicContact CD1-CZ 4.48Å; F40-F45 HydrophobicContact CE1-CB 4.37Å; F40-F45 AromaticContact CE1-CD1 3.78Å; F40-F45 HydrophobicContact CE1-CD1 3.78Å; F40-F45 AromaticContact CE1-CD2 3.86Å; F40-F45 HydrophobicContact CE1-CD2 3.86Å; F40-F45 AromaticContact CE1-CE1 3.88Å; F40-F45 HydrophobicContact CE1-CE1 3.88Å; F40-F45 AromaticContact CE1-CE2 3.97Å; F40-F45 HydrophobicContact CE1-CE2 3.97Å; F40-F45 AromaticContact CE1-CG 3.76Å; F40-F45 HydrophobicContact CE1-CG 3.76Å; F40-F45 AromaticContact CE1-CZ 3.97Å; F40-F45 HydrophobicContact CE1-CZ 3.97Å; F40-F45 HydrophobicContact CZ-CB 4.22Å; F40-F45 HydrophobicContact CZ-CD1 4.42Å; F40-F45 HydrophobicContact CZ-CD2 4.29Å; F40-F45 HydrophobicContact CZ-CG 4.08Å; C42-F45 HydrophobicContact CB-CB 4.34Å; C42-F45 HydrophobicContact CB-CD1 3.82Å; C42-F45 HydrophobicContact CB-CG 4.4Å; F45-I47 HydrophobicContact CD2-CG1 4.09Å; F45-I47 HydrophobicContact CE2-CD1 3.96Å; F45-I47 HydrophobicContact CE2-CG1 3.87Å; F45-L60 HydrophobicContact CD2-CB 4.14Å; F45-L60 HydrophobicContact CD2-CD2 4.45Å; F45-L60 HydrophobicContact CE2-CB 4.48Å; F45-L60 HydrophobicContact CE2-CD1 4.43Å; F45-L60 HydrophobicContact CE2-CD2 4.14Å; F45-T61 CarbonylContact C-O 3.6Å; F45-T61 WeakPolarHBondContact CA-O 3.38Å; F45-T61 WeakPolarHBondContact CB-O 3.47Å
46R97.6Very high96.7Very high130 Ų13043.7 Ų43.749%0.49125%0.246SC..EExtended strand (participates in β ladder)trans-108.2155172.4-67.8-177177.9158.5-1.7110.5L60 T61 M63R46-L60 WeakPolarHBondContact O-CA 3.42Å; R46-T61 PolarHBondContact N-O 2.88Å; R46-T61 PolarHBondContact O-N 3.24Å; R46-M63 HydrophobicContact CG-CG 4.2Å; R46-M63 HydrophobicContact CG-SD 3.85Å
47I98.4Very high96.8Very high4 Ų442.7 Ų42.72%0.02124%0.235CC..EExtended strand (participates in β ladder)trans-118.5127.4176-55-174.5000108.4V14 C18 F23 F45 L58 T59 L60 F110 L120V14-I47 HydrophobicContact CG1-CG2 4.18Å; C18-I47 HydrophobicContact CB-CB 4.46Å; F23-I47 HydrophobicContact CD1-CD1 3.83Å; F23-I47 HydrophobicContact CD2-CB 4.42Å; F23-I47 HydrophobicContact CD2-CD1 3.82Å; F23-I47 HydrophobicContact CD2-CG1 3.68Å; F23-I47 HydrophobicContact CE1-CD1 3.81Å; F23-I47 HydrophobicContact CE2-CB 4.14Å; F23-I47 HydrophobicContact CE2-CD1 3.81Å; F23-I47 HydrophobicContact CE2-CG1 3.8Å; F23-I47 HydrophobicContact CG-CD1 3.83Å; F23-I47 HydrophobicContact CG-CG1 4.09Å; F23-I47 HydrophobicContact CZ-CD1 3.81Å; F23-I47 HydrophobicContact CZ-CG1 4.31Å; F45-I47 HydrophobicContact CD2-CG1 4.09Å; F45-I47 HydrophobicContact CE2-CD1 3.96Å; F45-I47 HydrophobicContact CE2-CG1 3.87Å; I47-L58 HydrophobicContact CG2-CB 4.41Å; I47-L58 HydrophobicContact CG2-CD1 4.32Å; I47-L58 HydrophobicContact CG2-CD2 4.39Å; I47-T59 WeakPolarHBondContact CA-O 3.38Å; I47-L60 HydrophobicContact CB-CD2 4.38Å; I47-L60 HydrophobicContact CD1-CD2 3.89Å; I47-L60 HydrophobicContact CG1-CD2 3.67Å; I47-L60 HydrophobicContact CG2-CD2 4.14Å; I47-F110 HydrophobicContact CD1-CB 3.7Å; I47-F110 HydrophobicContact CD1-CD1 3.86Å; I47-F110 HydrophobicContact CD1-CD2 4.47Å; I47-F110 HydrophobicContact CD1-CG 3.77Å; I47-L120 HydrophobicContact CD1-CD2 4.03Å; I47-L120 HydrophobicContact CG2-CD2 4.2Å
48T98.3Very high96.9Very high69 Ų6937.1 Ų37.142%0.42321%0.209SC..EExtended strand (participates in β ladder)trans-123.8159.9167.955.80000109.9N15 L58 T59N15-T48 WeakPolarHBondContact OD1-CA 3.48Å; T48-L58 CarbonylContact O-C 3.57Å; T48-L58 VanDerWaalsContact O-CA 3.31Å; T48-L58 WeakPolarHBondContact O-CA 3.35Å; T48-T59 PolarHBondContact N-O 2.79Å; T48-T59 PolarHBondContact O-N 3.43Å
49A98.3Very high96.9Very high4 Ų438 Ų383%0.03321%0.214CC..EExtended strand (participates in β ladder)trans-131.5145.9-179.100000112.2V14 N15 V56 K57 L58V14-A49 HydrophobicContact CB-CB 3.74Å; V14-A49 HydrophobicContact CG1-CB 3.77Å; N15-A49 PolarHBondContact ND2-O 3.41Å; N15-A49 PolarHBondContact OD1-N 3.23Å; N15-A49 PolarHBondContact OD1-O 3.05Å; A49-V56 HydrophobicContact CB-CG1 4.46Å; A49-K57 CarbonylContact C-O 3.57Å; A49-K57 VanDerWaalsContact CA-O 3.28Å; A49-K57 WeakPolarHBondContact CA-O 3.31Å; A49-L58 HydrophobicContact CB-CD2 3.52Å
50T97.9Very high97.1Very high68 Ų6833.5 Ų33.542%0.41718%0.177SC..EExtended strand (participates in β ladder)trans-134.5157.716852.80000109.4V56 K57T50-V56 CarbonylContact O-C 3.53Å; T50-V56 WeakPolarHBondContact O-CA 3.46Å; T50-K57 PolarHBondContact N-O 2.8Å; T50-K57 PolarHBondContact O-N 2.93Å
51S98Very high97.2Very high19 Ų1935.7 Ų35.713%0.13319%0.192CC..EExtended strand (participates in β ladder)trans-123.4143.6177.862.10000111.1H8 E55H8-S51 WeakPolarHBondContact CA-OG 3.48Å; H8-S51 PolarHBondContact ND1-OG 3.13Å; H8-S51 VanDerWaalsContact ND1-OG 3.08Å; S51-E55 CarbonylContact C-O 3.58Å; S51-E55 WeakPolarHBondContact CA-O 3.4Å
52R98.4Very high97.3Very high40 Ų4032.2 Ų32.215%0.15117%0.171CC..EExtended strand (participates in β ladder)trans-142109.2172.4-169.3-178-176.7-112.85.2110.2K54 E55 W137 R141 G142 C144 E148R52-K54 PolarHBondContact O-N 3.18Å; R52-E55 PolarHBondContact N-O 2.86Å; R52-E55 PolarHBondContact O-N 3.03Å; R52-E55 VanDerWaalsContact O-N 3.12Å; R52-W137 HydrophobicContact CB-CD2 3.83Å; R52-W137 HydrophobicContact CB-CE3 3.9Å; R52-W137 HydrophobicContact CB-CG 4.48Å; R52-W137 HydrophobicContact CB-CH2 3.88Å; R52-W137 HydrophobicContact CB-CZ2 3.83Å; R52-W137 HydrophobicContact CB-CZ3 3.93Å; R52-W137 HydrophobicContact CG-CD2 4.5Å; R52-R141 PolarHBondContact NH1-O 3.17Å; R52-G142 PolarHBondContact NH1-O 3.02Å; R52-C144 HydrophobicContact CG-CB 3.96Å; R52-E148 WeakPolarHBondContact CG-OE2 3.4Å; R52-E148 IonicContact CZ-OE1 2.74Å; R52-E148 IonicContact CZ-OE2 3.25Å; R52-E148 IonicContact NE-OE1 3.81Å; R52-E148 PolarHBondContact NE-OE1 2.8Å; R52-E148 IonicContact NE-OE2 2.97Å; R52-E148 PolarHBondContact NE-OE2 2.86Å; R52-E148 IonicContact NH2-OE1 2.66Å; R52-E148 PolarHBondContact NH2-OE1 2.8Å; R52-E148 IonicContact NH2-OE2 3.33Å
53G98.2Very high97.2Very high1 Ų134.7 Ų34.71%0.0118%0.182CC..THydrogen-bonded Turntrans55.3-120.7-173.400000111.2E55 C144 N180G53-E55 VanDerWaalsContact C-N 3.34Å; G53-E55 PolarHBondContact O-N 3.35Å; G53-C144 PolarHBondContact N-SG 2.82Å; G53-N180 WeakPolarHBondContact CA-O 3.48Å; G53-N180 WeakPolarHBondContact CA-OD1 3.41Å
54K97.9Very high96.6Very high20 Ų2036.2 Ų36.29%0.08718%0.182CC..THydrogen-bonded Turntrans-95.628.7179-56.5-164.7-176.4-168.80115.1L7 R52 N180 G181 I182L7-K54 HydrophobicContact CD2-CB 4.19Å; R52-K54 PolarHBondContact O-N 3.18Å; K54-N180 PolarHBondContact N-OD1 2.88Å; K54-G181 WeakPolarHBondContact CE-O 3.49Å; K54-I182 VanDerWaalsContact CE-C 3.4Å; K54-I182 WeakPolarHBondContact CE-O 3.43Å; K54-I182 VanDerWaalsContact NZ-C 3.35Å; K54-I182 PolarHBondContact NZ-O 3.36Å
55E98.4Very high95.1Very high0 Ų038.2 Ų38.20%020%0.196CC..EExtended strand (participates in β ladder)trans-127.9145.5178.5-56.1-168.211300110.9S51 R52 G53 V85 F86 R87 W137 Q138S51-E55 CarbonylContact C-O 3.58Å; S51-E55 WeakPolarHBondContact CA-O 3.4Å; R52-E55 PolarHBondContact N-O 2.86Å; R52-E55 PolarHBondContact O-N 3.03Å; R52-E55 VanDerWaalsContact O-N 3.12Å; G53-E55 VanDerWaalsContact C-N 3.34Å; G53-E55 PolarHBondContact O-N 3.35Å; E55-V85 HydrophobicContact CB-CG1 4.13Å; E55-F86 WeakPolarHBondContact CA-O 3.39Å; E55-R87 HydrophobicContact CG-CG 3.94Å; E55-R87 IonicContact OE1-CZ 2.82Å; E55-R87 IonicContact OE1-NH1 3.86Å; E55-R87 PolarHBondContact OE1-NH1 3.04Å; E55-W137 HydrophobicContact CB-CE3 3.76Å; E55-W137 HydrophobicContact CB-CZ3 3.7Å; E55-Q138 WeakPolarHBondContact OE1-CB 3.46Å; E55-Q138 WeakPolarHBondContact OE1-CG 3.26Å; E55-Q138 PolarHBondContact OE2-N 3.34Å
56V98.4Very high92.9Very high0 Ų046.6 Ų46.60%024%0.241CC..EExtended strand (participates in β ladder)trans-120.7132.2170.1174.30000108.2L7 A49 T50 L58 V85 F86 F88 F94L7-V56 HydrophobicContact CB-CG2 3.78Å; L7-V56 HydrophobicContact CD1-CG2 3.89Å; L7-V56 HydrophobicContact CG-CG2 4.22Å; L7-V56 WeakPolarHBondContact O-CG2 3.41Å; A49-V56 HydrophobicContact CB-CG1 4.46Å; T50-V56 CarbonylContact O-C 3.53Å; T50-V56 WeakPolarHBondContact O-CA 3.46Å; V56-L58 HydrophobicContact CG1-CD2 4.36Å; V56-V85 CarbonylContact O-C 3.58Å; V56-F86 PolarHBondContact N-O 3.15Å; V56-F86 PolarHBondContact O-N 3.1Å; V56-F88 HydrophobicContact CB-CE1 4.31Å; V56-F88 HydrophobicContact CG2-CE1 4.25Å; V56-F88 HydrophobicContact CG2-CZ 4.2Å; V56-F94 HydrophobicContact CB-CE2 4.42Å; V56-F94 HydrophobicContact CG1-CE2 3.88Å
57K98.6Very high90.8Very high39 Ų3946.9 Ų46.917%0.1725%0.252CS..EExtended strand (participates in β ladder)trans-111.8121.3176-174.4174.475.7151.80109.5A49 T50 D83 I84 V85 W137A49-K57 CarbonylContact C-O 3.57Å; A49-K57 VanDerWaalsContact CA-O 3.28Å; A49-K57 WeakPolarHBondContact CA-O 3.31Å; T50-K57 PolarHBondContact N-O 2.8Å; T50-K57 PolarHBondContact O-N 2.93Å; K57-D83 HydrophobicContact CD-CB 3.96Å; K57-D83 WeakPolarHBondContact CD-OD2 3.38Å; K57-D83 WeakPolarHBondContact CE-OD2 3.5Å; K57-D83 HydrophobicContact CG-CB 4.11Å; K57-D83 IonicContact NZ-OD2 3.08Å; K57-D83 PolarHBondContact NZ-OD2 2.93Å; K57-I84 CarbonylContact C-O 3.58Å; K57-I84 WeakPolarHBondContact CA-O 3.3Å; K57-V85 HydrophobicContact CB-CG2 4.12Å; K57-V85 HydrophobicContact CD-CG2 3.96Å; K57-V85 HydrophobicContact CG-CG2 3.82Å; K57-W137 HydrophobicContact CB-CE3 4.41Å; K57-W137 HydrophobicContact CB-CH2 3.22Å; K57-W137 HydrophobicContact CB-CZ2 3.79Å; K57-W137 HydrophobicContact CB-CZ3 3.58Å; K57-W137 HydrophobicContact CD-CH2 4.43Å; K57-W137 HydrophobicContact CD-CZ2 4.22Å; K57-W137 HydrophobicContact CG-CH2 4.44Å
58L98.6Very high88.5Confident0 Ų051.1 Ų51.10%027%0.274CS..EExtended strand (participates in β ladder)trans-89.7136.7166.4-59.5-169.7000109.3V14 I47 T48 A49 V56 D83 I84 F86 F94 F110 L120V14-L58 HydrophobicContact CB-CD2 4.44Å; V14-L58 HydrophobicContact CG1-CD2 3.82Å; V14-L58 HydrophobicContact CG2-CD2 4.34Å; I47-L58 HydrophobicContact CG2-CB 4.41Å; I47-L58 HydrophobicContact CG2-CD1 4.32Å; I47-L58 HydrophobicContact CG2-CD2 4.39Å; T48-L58 CarbonylContact O-C 3.57Å; T48-L58 VanDerWaalsContact O-CA 3.31Å; T48-L58 WeakPolarHBondContact O-CA 3.35Å; A49-L58 HydrophobicContact CB-CD2 3.52Å; V56-L58 HydrophobicContact CG1-CD2 4.36Å; L58-D83 CarbonylContact O-C 3.54Å; L58-D83 WeakPolarHBondContact O-CA 3.33Å; L58-I84 PolarHBondContact N-O 3.41Å; L58-I84 PolarHBondContact O-N 2.89Å; L58-F86 HydrophobicContact CB-CE2 4Å; L58-F86 HydrophobicContact CD1-CE2 3.64Å; L58-F86 HydrophobicContact CD1-CZ 3.97Å; L58-F86 HydrophobicContact CG-CD2 4.07Å; L58-F86 HydrophobicContact CG-CE2 3.53Å; L58-F86 HydrophobicContact CG-CZ 4.36Å; L58-F94 HydrophobicContact CD1-CE1 3.73Å; L58-F94 HydrophobicContact CD1-CZ 3.77Å; L58-F94 HydrophobicContact CD2-CE2 4.36Å; L58-F94 HydrophobicContact CD2-CZ 4.18Å; L58-F94 HydrophobicContact CG-CE1 4.44Å; L58-F94 HydrophobicContact CG-CZ 3.99Å; L58-F110 HydrophobicContact CD1-CE2 4.12Å; L58-F110 HydrophobicContact CD1-CZ 4.07Å; L58-L120 HydrophobicContact CD1-CD2 4.39Å
59T98.1Very high86.2Confident23 Ų2351.4 Ų51.414%0.14129%0.292CS..EExtended strand (participates in β ladder)trans-113.8118.8172.2-59.10000108.1I47 T48 H81 M82 D83I47-T59 WeakPolarHBondContact CA-O 3.38Å; T48-T59 PolarHBondContact N-O 2.79Å; T48-T59 PolarHBondContact O-N 3.43Å; T59-H81 HydrophobicContact CG2-CB 4.25Å; T59-M82 WeakPolarHBondContact CA-O 3.43Å; T59-D83 VanDerWaalsContact CB-OD1 3.29Å; T59-D83 WeakPolarHBondContact CB-OD1 3.32Å; T59-D83 VanDerWaalsContact CG2-OD1 3.31Å; T59-D83 WeakPolarHBondContact CG2-OD1 3.44Å; T59-D83 PolarHBondContact OG1-OD1 3.45Å
60L97.6Very high83.6Confident0 Ų060.3 Ų60.30%033%0.33CS..EExtended strand (participates in β ladder)trans-95.2114.1175.1-46.6-175000108.2V27 F40 F45 R46 I47 H81 M82 I84 F110V27-L60 HydrophobicContact CG2-CD1 3.92Å; F40-L60 HydrophobicContact CB-CD1 4.36Å; F40-L60 HydrophobicContact CD1-CD1 3.61Å; F40-L60 HydrophobicContact CD2-CD1 4.23Å; F40-L60 HydrophobicContact CE1-CB 4.06Å; F40-L60 HydrophobicContact CE1-CD1 3.86Å; F40-L60 HydrophobicContact CE2-CB 4.04Å; F40-L60 HydrophobicContact CE2-CD1 4.45Å; F40-L60 HydrophobicContact CG-CD1 3.8Å; F40-L60 HydrophobicContact CZ-CB 3.76Å; F40-L60 HydrophobicContact CZ-CD1 4.27Å; F45-L60 HydrophobicContact CD2-CB 4.14Å; F45-L60 HydrophobicContact CD2-CD2 4.45Å; F45-L60 HydrophobicContact CE2-CB 4.48Å; F45-L60 HydrophobicContact CE2-CD1 4.43Å; F45-L60 HydrophobicContact CE2-CD2 4.14Å; R46-L60 WeakPolarHBondContact O-CA 3.42Å; I47-L60 HydrophobicContact CB-CD2 4.38Å; I47-L60 HydrophobicContact CD1-CD2 3.89Å; I47-L60 HydrophobicContact CG1-CD2 3.67Å; I47-L60 HydrophobicContact CG2-CD2 4.14Å; L60-H81 CarbonylContact O-C 3.5Å; L60-H81 WeakPolarHBondContact O-CA 3.34Å; L60-H81 WeakPolarHBondContact O-CB 3.43Å; L60-M82 HydrophobicContact CB-CB 4.47Å; L60-M82 PolarHBondContact N-O 2.87Å; L60-M82 PolarHBondContact O-N 3.27Å; L60-I84 HydrophobicContact CD1-CD1 3.86Å; L60-I84 HydrophobicContact CG-CD1 4.28Å; L60-F110 HydrophobicContact CD1-CD1 4.46Å; L60-F110 HydrophobicContact CD1-CE1 4.08Å; L60-F110 HydrophobicContact CD2-CD1 4.17Å; L60-F110 HydrophobicContact CD2-CE1 3.95Å
61T96.6Very high81.2Confident61 Ų6167.2 Ų67.237%0.37435%0.348SS..EExtended strand (participates in β ladder)trans-113.3109.4-174.9-57.10000109.9F45 R46F45-T61 CarbonylContact C-O 3.6Å; F45-T61 WeakPolarHBondContact CA-O 3.38Å; F45-T61 WeakPolarHBondContact CB-O 3.47Å; R46-T61 PolarHBondContact N-O 2.88Å; R46-T61 PolarHBondContact O-N 3.24Å
62P95.4Very high78.8Confident23 Ų2378.3 Ų78.315%0.14939%0.387CS..EExtended strand (participates in β ladder)trans-52.8139171.6-27.135.6000111.9F40 A78F40-P62 HydrophobicContact CE2-CG 4.39Å; F40-P62 HydrophobicContact CZ-CG 4.34Å; P62-A78 WeakPolarHBondContact CB-O 3.28Å; P62-A78 WeakPolarHBondContact CG-O 3.31Å
63M92.2Very high76.2Confident69 Ų6981.1 Ų81.134%0.3441%0.413SS..PPolyproline II helixtrans-95126.1171.3-63.8-177.267.700108.5V22 S44 R46V22-M63 HydrophobicContact CG1-SD 4.05Å; V22-M63 HydrophobicContact CG2-SD 3.89Å; S44-M63 PolarHBondContact O-N 3.33Å; R46-M63 HydrophobicContact CG-CG 4.2Å; R46-M63 HydrophobicContact CG-SD 3.85Å
64K79.9Confident73.4Confident171 Ų17191 Ų9174%0.74346%0.455SS*.PPolyproline II helixtrans-65.4135.5171.7-64.1-176.7178.4-178.20109.1
65S62.6Low70.6Confident60 Ų6094.2 Ų94.242%0.4249%0.494SS..PPolyproline II helixtrans-82.7144170.476.60000109.4D67 D68S65-D67 PolarHBondContact O-N 3.49Å; S65-D67 VanDerWaalsContact O-N 3.07Å; S65-D68 WeakPolarHBondContact CB-OD2 3.45Å; S65-D68 PolarHBondContact N-OD2 3.19Å; S65-D68 VanDerWaalsContact N-OD2 3.14Å; S65-D68 PolarHBondContact O-N 2.64Å; S65-D68 PolarHBondContact OG-OD1 3.14Å; S65-D68 PolarHBondContact OG-OD2 3.14Å
66D52.3Low68Low178 Ų17896.6 Ų96.695%0.95252%0.518SS*.THydrogen-bonded Turntrans-62.4-13.5176.8-73.3-34.8000112.9
67D52.2Low65.7Low135 Ų135105.3 Ų105.372%0.72256%0.559SS**THydrogen-bonded Turntrans-88.7-10.1-179-133.31.4000113.3S65 G69S65-D67 PolarHBondContact O-N 3.49Å; S65-D67 VanDerWaalsContact O-N 3.07Å; D67-G69 PolarHBondContact O-N 3.19Å
68D51.7Low63.5Low93 Ų93106.6 Ų106.650%0.49758%0.577SS.*G310 helixtrans-73.3-6.8-177.6-74-44.2000114S65 K70S65-D68 WeakPolarHBondContact CB-OD2 3.45Å; S65-D68 PolarHBondContact N-OD2 3.19Å; S65-D68 VanDerWaalsContact N-OD2 3.14Å; S65-D68 PolarHBondContact O-N 2.64Å; S65-D68 PolarHBondContact OG-OD1 3.14Å; S65-D68 PolarHBondContact OG-OD2 3.14Å; D68-K70 PolarHBondContact O-N 3.03Å; D68-K70 VanDerWaalsContact O-N 3.14Å
69G48.9Very low61.7Low76 Ų76112.2 Ų112.278%0.78461%0.607SS**G310 helixtrans-62.8-15.5174.200000114.4D67D67-G69 PolarHBondContact O-N 3.19Å
70K44Very low60.9Low191 Ų191117.6 Ų117.683%0.8363%0.63SS**G310 helixtrans-113.7-5.6-174.5-76-178.7179.1172.60116D68D68-K70 PolarHBondContact O-N 3.03Å; D68-K70 VanDerWaalsContact O-N 3.14Å
71R46.3Very low60.6Low213 Ų213122.5 Ų122.580%0.80465%0.653SS**  trans-12669.5178.9-71.8-176.3178.6172.81.3111.7S73R71-S73 VanDerWaalsContact C-N 3.29Å; R71-S73 PolarHBondContact O-N 3.43Å
72R49.6Very low60.5Low252 Ų252120.4 Ų120.495%0.95164%0.639SS**  trans-68.988.8161.4-82.4-178.3168.8171.2-2.6109.5
73S42.1Very low60.6Low99 Ų99120.5 Ų120.569%0.69264%0.639SS**  trans-141.3112.8159.853.30000111.5R71R71-S73 VanDerWaalsContact C-N 3.29Å; R71-S73 PolarHBondContact O-N 3.43Å
74K39.9Very low60.9Low209 Ų209117.2 Ų117.291%0.90962%0.623SS**  trans59.3100.5164.3-69.6178.6176.1178.30115.9G76K74-G76 PolarHBondContact O-N 3.31Å
75G40.1Very low61.8Low86 Ų86109.1 Ų109.189%0.88759%0.587SS**  trans-55.498.9166.800000111.2
76G43.8Very low63.5Low50 Ų50106.2 Ų106.252%0.51557%0.567SS.*  trans-92.4168.416400000110.1K74 A78K74-G76 PolarHBondContact O-N 3.31Å; G76-A78 PolarHBondContact O-N 3Å
77Q49.7Very low65.7Low183 Ų18399.9 Ų99.986%0.85553%0.53SS*.G310 helixtrans-45.5-13.2176.1-92.4170.8-40.600116.6D79 Q80Q77-D79 PolarHBondContact O-N 3.39Å; Q77-Q80 PolarHBondContact O-N 2.8Å
78A51.3Low67.8Low66 Ų6693.6 Ų93.655%0.54550%0.496SS..G310 helixtrans-67.3-14.8-175.600000115.1P62 G76P62-A78 WeakPolarHBondContact CB-O 3.28Å; P62-A78 WeakPolarHBondContact CG-O 3.31Å; G76-A78 PolarHBondContact O-N 3Å
79D61.2Low69.8Low119 Ų11989.8 Ų89.864%0.63648%0.479SS*.G310 helixtrans-99.7-5-177.7-106.8-6.7000114.2Q77Q77-D79 PolarHBondContact O-N 3.39Å
80Q81.4Confident71.8Confident135 Ų13589.9 Ų89.963%0.63146%0.46SS*.SBendtrans-99.7134.2-177.3-162.2169.4700110.9Q77Q77-Q80 PolarHBondContact O-N 2.8Å
81H90.6Very high74.1Confident104 Ų10482 Ų8248%0.48143%0.428SS..  trans-61.9149.1170.967.1-88.3000110.3T59 L60T59-H81 HydrophobicContact CG2-CB 4.25Å; L60-H81 CarbonylContact O-C 3.5Å; L60-H81 WeakPolarHBondContact O-CA 3.34Å; L60-H81 WeakPolarHBondContact O-CB 3.43Å
82M95.6Very high76.5Confident16 Ų1672 Ų728%0.07939%0.392CS..EExtended strand (participates in β ladder)trans-118.2127.9175.4179.4176.6-67.100110.5V38 F40 T59 L60 I84 P133V38-M82 HydrophobicContact CG1-SD 3.78Å; F40-M82 HydrophobicContact CB-CE 3.86Å; F40-M82 HydrophobicContact CB-SD 3.75Å; F40-M82 HydrophobicContact CD2-CB 3.74Å; F40-M82 HydrophobicContact CD2-CE 4.01Å; F40-M82 HydrophobicContact CD2-SD 4.16Å; F40-M82 HydrophobicContact CE2-CB 4.09Å; F40-M82 HydrophobicContact CG-CE 4.43Å; F40-M82 HydrophobicContact CG-SD 4.31Å; T59-M82 WeakPolarHBondContact CA-O 3.43Å; L60-M82 HydrophobicContact CB-CB 4.47Å; L60-M82 PolarHBondContact N-O 2.87Å; L60-M82 PolarHBondContact O-N 3.27Å; M82-I84 HydrophobicContact CG-CG1 4.32Å; M82-I84 HydrophobicContact SD-CG1 4.43Å; M82-P133 HydrophobicContact SD-CB 4.39Å
83D97.7Very high78.7Confident26 Ų2661.4 Ų61.414%0.13935%0.352CS..EExtended strand (participates in β ladder)trans-93.2138.5170.6-79.4-8.7000111K57 L58 T59 P133 N134 G135K57-D83 HydrophobicContact CD-CB 3.96Å; K57-D83 WeakPolarHBondContact CD-OD2 3.38Å; K57-D83 WeakPolarHBondContact CE-OD2 3.5Å; K57-D83 HydrophobicContact CG-CB 4.11Å; K57-D83 IonicContact NZ-OD2 3.08Å; K57-D83 PolarHBondContact NZ-OD2 2.93Å; L58-D83 CarbonylContact O-C 3.54Å; L58-D83 WeakPolarHBondContact O-CA 3.33Å; T59-D83 VanDerWaalsContact CB-OD1 3.29Å; T59-D83 WeakPolarHBondContact CB-OD1 3.32Å; T59-D83 VanDerWaalsContact CG2-OD1 3.31Å; T59-D83 WeakPolarHBondContact CG2-OD1 3.44Å; T59-D83 PolarHBondContact OG1-OD1 3.45Å; D83-P133 CarbonylContact O-C 3.55Å; D83-N134 WeakPolarHBondContact O-CA 3.04Å; D83-N134 PolarHBondContact O-N 3.42Å; D83-G135 PolarHBondContact O-N 2.84Å
84I98.3Very high81.3Confident0 Ų056.7 Ų56.70%032%0.319CS..EExtended strand (participates in β ladder)trans-129116.4174-50.1170.6000108.1V38 K57 L58 L60 M82 F86 F110 W131 Q132V38-I84 HydrophobicContact CG1-CD1 3.61Å; V38-I84 HydrophobicContact CG1-CG1 4.35Å; V38-I84 HydrophobicContact CG2-CD1 4.24Å; K57-I84 CarbonylContact C-O 3.58Å; K57-I84 WeakPolarHBondContact CA-O 3.3Å; L58-I84 PolarHBondContact N-O 3.41Å; L58-I84 PolarHBondContact O-N 2.89Å; L60-I84 HydrophobicContact CD1-CD1 3.86Å; L60-I84 HydrophobicContact CG-CD1 4.28Å; M82-I84 HydrophobicContact CG-CG1 4.32Å; M82-I84 HydrophobicContact SD-CG1 4.43Å; I84-F86 HydrophobicContact CB-CD2 4.5Å; I84-F86 HydrophobicContact CB-CE2 3.67Å; I84-F86 HydrophobicContact CB-CZ 4.16Å; I84-F86 HydrophobicContact CG2-CD2 4.11Å; I84-F86 HydrophobicContact CG2-CE1 4.34Å; I84-F86 HydrophobicContact CG2-CE2 3.37Å; I84-F86 HydrophobicContact CG2-CZ 3.51Å; I84-F86 VanDerWaalsContact O-CD2 3.28Å; I84-F86 WeakPolarHBondContact O-CD2 3.38Å; I84-F86 WeakPolarHBondContact O-CE2 3.25Å; I84-F110 HydrophobicContact CD1-CE1 4Å; I84-F110 HydrophobicContact CD1-CZ 4.15Å; I84-W131 HydrophobicContact CG2-CB 4.01Å; I84-W131 HydrophobicContact CG2-CG 4.42Å; I84-Q132 WeakPolarHBondContact CA-O 3.31Å
85V98.4Very high83.9Confident0 Ų049.1 Ų49.10%029%0.285CS..EExtended strand (participates in β ladder)trans-98.1124.9-178.7179.90000110E55 V56 K57 W131 Q132 G135 W137E55-V85 HydrophobicContact CB-CG1 4.13Å; V56-V85 CarbonylContact O-C 3.58Å; K57-V85 HydrophobicContact CB-CG2 4.12Å; K57-V85 HydrophobicContact CD-CG2 3.96Å; K57-V85 HydrophobicContact CG-CG2 3.82Å; V85-W131 CarbonylContact O-C 3.59Å; V85-W131 WeakPolarHBondContact O-CA 3.29Å; V85-Q132 PolarHBondContact N-O 2.86Å; V85-Q132 PolarHBondContact O-N 2.8Å; V85-G135 WeakPolarHBondContact CG2-O 3.45Å; V85-W137 HydrophobicContact CG1-CE3 4.13Å; V85-W137 HydrophobicContact CG1-CZ3 4.37Å
86F98.5Very high86.5Confident0 Ų046 Ų460%025%0.247CC..EExtended strand (participates in β ladder)trans-110.3142.3-176.8-64.1-100.3000111.4E55 V56 L58 I84 F88 F94 L108 F110 F122 S130 W131E55-F86 WeakPolarHBondContact CA-O 3.39Å; V56-F86 PolarHBondContact N-O 3.15Å; V56-F86 PolarHBondContact O-N 3.1Å; L58-F86 HydrophobicContact CB-CE2 4Å; L58-F86 HydrophobicContact CD1-CE2 3.64Å; L58-F86 HydrophobicContact CD1-CZ 3.97Å; L58-F86 HydrophobicContact CG-CD2 4.07Å; L58-F86 HydrophobicContact CG-CE2 3.53Å; L58-F86 HydrophobicContact CG-CZ 4.36Å; I84-F86 HydrophobicContact CB-CD2 4.5Å; I84-F86 HydrophobicContact CB-CE2 3.67Å; I84-F86 HydrophobicContact CB-CZ 4.16Å; I84-F86 HydrophobicContact CG2-CD2 4.11Å; I84-F86 HydrophobicContact CG2-CE1 4.34Å; I84-F86 HydrophobicContact CG2-CE2 3.37Å; I84-F86 HydrophobicContact CG2-CZ 3.51Å; I84-F86 VanDerWaalsContact O-CD2 3.28Å; I84-F86 WeakPolarHBondContact O-CD2 3.38Å; I84-F86 WeakPolarHBondContact O-CE2 3.25Å; F86-F88 HydrophobicContact CB-CD1 4.33Å; F86-F88 HydrophobicContact CB-CE1 4.15Å; F86-F94 HydrophobicContact CB-CZ 4.46Å; F86-F94 HydrophobicContact CD1-CE1 4.39Å; F86-F94 AromaticContact CD1-CZ 3.93Å; F86-F94 HydrophobicContact CD1-CZ 3.93Å; F86-F94 AromaticContact CD2-CZ 3.8Å; F86-F94 HydrophobicContact CD2-CZ 3.8Å; F86-F94 HydrophobicContact CE1-CE1 4.16Å; F86-F94 HydrophobicContact CE1-CZ 4.07Å; F86-F94 HydrophobicContact CE2-CE1 4.46Å; F86-F94 AromaticContact CE2-CZ 3.94Å; F86-F94 HydrophobicContact CE2-CZ 3.94Å; F86-F94 AromaticContact CG-CZ 3.81Å; F86-F94 HydrophobicContact CG-CZ 3.81Å; F86-F94 HydrophobicContact CZ-CE1 4.19Å; F86-F94 HydrophobicContact CZ-CZ 4.07Å; F86-L108 HydrophobicContact CE1-CD2 3.72Å; F86-L108 HydrophobicContact CZ-CD2 3.64Å; F86-F110 HydrophobicContact CZ-CZ 4.36Å; F86-F122 HydrophobicContact CD1-CD1 4.32Å; F86-F122 AromaticContact CD1-CD2 4Å; F86-F122 HydrophobicContact CD1-CD2 4Å; F86-F122 HydrophobicContact CD1-CE2 4.29Å; F86-F122 HydrophobicContact CD1-CG 4.02Å; F86-F122 HydrophobicContact CE1-CB 4.1Å; F86-F122 HydrophobicContact CE1-CD1 4.41Å; F86-F122 HydrophobicContact CE1-CD2 4.38Å; F86-F122 HydrophobicContact CE1-CG 4.03Å; F86-S130 CarbonylContact C-O 3.59Å; F86-S130 WeakPolarHBondContact CA-O 3.28Å; F86-W131 HydrophobicContact CD1-CB 3.68Å; F86-W131 HydrophobicContact CE1-CB 3.77Å; F86-W131 HydrophobicContact CE1-CD2 4.49Å; F86-W131 HydrophobicContact CE1-CG 4.22Å; F86-W131 HydrophobicContact CG-CB 4.18Å; F86-W131 HydrophobicContact CZ-CB 4.34Å
87R97.6Very high89Confident44 Ų4444 Ų4417%0.16623%0.225CC..EExtended strand (participates in β ladder)trans-122.6125.1163.4-72.2172.9-67.6-88.61.2107.5E55 G89 G129 S130 Q138E55-R87 HydrophobicContact CG-CG 3.94Å; E55-R87 IonicContact OE1-CZ 2.82Å; E55-R87 IonicContact OE1-NH1 3.86Å; E55-R87 PolarHBondContact OE1-NH1 3.04Å; R87-G89 VanDerWaalsContact C-N 3.29Å; R87-G89 PolarHBondContact O-N 3.14Å; R87-G129 CarbonylContact O-C 3.57Å; R87-G129 WeakPolarHBondContact O-CA 3.42Å; R87-S130 PolarHBondContact N-O 3.05Å; R87-S130 PolarHBondContact NE-OG 2.82Å; R87-S130 PolarHBondContact NH2-OG 2.76Å; R87-S130 PolarHBondContact O-N 3.13Å; R87-Q138 VanDerWaalsContact NH1-CG 3.33Å; R87-Q138 VanDerWaalsContact NH1-NE2 3.14Å
88F96.4Very high91.2Very high4 Ų436.8 Ų36.82%0.01820%0.195CC..  trans-76.8-10.5-167.9-76.213.9000114.7P2 L7 A10 V56 F86 M90 G92 F94 F122P2-F88 HydrophobicContact CB-CB 4.39Å; P2-F88 HydrophobicContact CG-CB 3.94Å; P2-F88 HydrophobicContact CG-CD2 4.39Å; L7-F88 HydrophobicContact CD1-CB 4.03Å; L7-F88 HydrophobicContact CD1-CD1 3.72Å; L7-F88 HydrophobicContact CD1-CD2 3.49Å; L7-F88 VanDerWaalsContact CD1-CD2 3.49Å; L7-F88 HydrophobicContact CD1-CE1 4.01Å; L7-F88 HydrophobicContact CD1-CE2 3.79Å; L7-F88 HydrophobicContact CD1-CG 3.46Å; L7-F88 VanDerWaalsContact CD1-CG 3.46Å; L7-F88 HydrophobicContact CD1-CZ 4.03Å; A10-F88 HydrophobicContact CB-CE2 3.58Å; A10-F88 HydrophobicContact CB-CZ 3.68Å; V56-F88 HydrophobicContact CB-CE1 4.31Å; V56-F88 HydrophobicContact CG2-CE1 4.25Å; V56-F88 HydrophobicContact CG2-CZ 4.2Å; F86-F88 HydrophobicContact CB-CD1 4.33Å; F86-F88 HydrophobicContact CB-CE1 4.15Å; F88-M90 PolarHBondContact O-N 3.11Å; F88-G92 WeakPolarHBondContact CD2-O 3.34Å; F88-G92 WeakPolarHBondContact CG-O 3.2Å; F88-G92 WeakPolarHBondContact O-CA 3.25Å; F88-G92 PolarHBondContact O-N 2.82Å; F88-F94 HydrophobicContact CE1-CD2 4.04Å; F88-F94 AromaticContact CE1-CE2 3.59Å; F88-F94 HydrophobicContact CE1-CE2 3.59Å; F88-F94 HydrophobicContact CE1-CZ 4.28Å; F88-F94 AromaticContact CZ-CD2 3.55Å; F88-F94 HydrophobicContact CZ-CD2 3.55Å; F88-F94 AromaticContact CZ-CE2 3.56Å; F88-F94 HydrophobicContact CZ-CE2 3.56Å; F88-F122 AromaticContact CD1-CE2 3.6Å; F88-F122 HydrophobicContact CD1-CE2 3.6Å; F88-F122 HydrophobicContact CD1-CZ 4.28Å; F88-F122 HydrophobicContact CE1-CD2 4.36Å; F88-F122 AromaticContact CE1-CE2 3.81Å; F88-F122 HydrophobicContact CE1-CE2 3.81Å; F88-F122 HydrophobicContact CG-CE2 4.23Å
89G94.1Very high93.3Very high13 Ų1338 Ų3813%0.13419%0.189CC..THydrogen-bonded Turntrans62.5-128.5-174.200000110.1M1 P2 R87M1-G89 VanDerWaalsContact CG-O 3.27Å; M1-G89 WeakPolarHBondContact CG-O 3.3Å; P2-G89 WeakPolarHBondContact CD-O 3.21Å; R87-G89 VanDerWaalsContact C-N 3.29Å; R87-G89 PolarHBondContact O-N 3.14Å
90M91.4Very high94.9Very high78 Ų7839 Ų3938%0.38419%0.194SC..THydrogen-bonded Turntrans-105.6-24178.9-78.1-165.2-82.800115.2M1 F88 R126 F128M1-M90 HydrophobicContact CB-CG 4.17Å; M1-M90 HydrophobicContact CG-CG 4.17Å; F88-M90 PolarHBondContact O-N 3.11Å; M90-R126 VanDerWaalsContact CE-NH1 3.26Å; M90-R126 PolarHBondContact SD-NH1 3.17Å; M90-F128 HydrophobicContact CB-CD2 4.44Å; M90-F128 HydrophobicContact CE-CD2 3.26Å; M90-F128 HydrophobicContact CE-CE2 3.19Å; M90-F128 HydrophobicContact CG-CD2 4.49Å
91S92.6Very high95.6Very high24 Ų2438.6 Ų38.617%0.16819%0.192CC..THydrogen-bonded Turntrans-133.49.4-171.743.50000113.1Y93 D124 T125 R126S91-Y93 VanDerWaalsContact O-CD1 3.32Å; S91-Y93 WeakPolarHBondContact O-CD1 3.45Å; S91-D124 PolarHBondContact OG-OD1 2.83Å; S91-T125 WeakPolarHBondContact CB-OG1 3.31Å; S91-T125 PolarHBondContact OG-OG1 3.43Å; S91-R126 WeakPolarHBondContact OG-CB 3.14Å; S91-R126 VanDerWaalsContact OG-CG 3.25Å; S91-R126 WeakPolarHBondContact OG-CG 3.46Å; S91-R126 PolarHBondContact OG-N 2.55Å; S91-R126 VanDerWaalsContact OG-N 3.11Å
92G95.4Very high95.9Very high3 Ų335.6 Ų35.63%0.03118%0.181CC..EExtended strand (participates in β ladder)trans-70.4138.5175.800000111.7F88 V123F88-G92 WeakPolarHBondContact CD2-O 3.34Å; F88-G92 WeakPolarHBondContact CG-O 3.2Å; F88-G92 WeakPolarHBondContact O-CA 3.25Å; F88-G92 PolarHBondContact O-N 2.82Å; G92-V123 CarbonylContact C-O 3.54Å; G92-V123 VanDerWaalsContact CA-O 3.25Å; G92-V123 WeakPolarHBondContact CA-O 3.33Å
93Y95.7Very high95.9Very high30 Ų3035.7 Ų35.712%0.11818%0.183CC..EExtended strand (participates in β ladder)trans-157.3164.417060.7-85.3000111.1S91 R95 V123 P268 E269S91-Y93 VanDerWaalsContact O-CD1 3.32Å; S91-Y93 WeakPolarHBondContact O-CD1 3.45Å; Y93-R95 HydrophobicContact CD2-CB 4.32Å; Y93-R95 HydrophobicContact CE2-CB 4.16Å; Y93-V123 HydrophobicContact CD1-CB 4.23Å; Y93-V123 HydrophobicContact CD2-CB 4.16Å; Y93-V123 HydrophobicContact CD2-CG2 4.46Å; Y93-V123 HydrophobicContact CE1-CB 3.8Å; Y93-V123 HydrophobicContact CE1-CG1 3.73Å; Y93-V123 HydrophobicContact CE2-CB 3.8Å; Y93-V123 HydrophobicContact CE2-CG1 4.21Å; Y93-V123 HydrophobicContact CE2-CG2 4Å; Y93-V123 HydrophobicContact CG-CB 4.41Å; Y93-V123 PolarHBondContact N-O 3.18Å; Y93-V123 PolarHBondContact O-N 3.25Å; Y93-V123 WeakPolarHBondContact OH-CG1 3.5Å; Y93-P268 HydrophobicContact CD1-CB 4.45Å; Y93-P268 HydrophobicContact CD2-CB 3.86Å; Y93-P268 HydrophobicContact CD2-CG 3.15Å; Y93-P268 HydrophobicContact CE2-CB 4.42Å; Y93-P268 HydrophobicContact CE2-CG 3.76Å; Y93-P268 HydrophobicContact CG-CB 3.83Å; Y93-P268 HydrophobicContact CG-CG 3.62Å; Y93-E269 PolarHBondContact OH-OE1 2.84Å
94F96.6Very high95.8Very high0 Ų043.6 Ų43.60%022%0.216CC..EExtended strand (participates in β ladder)trans-96.8145169.4-72.3-67.3000111.1Y13 V14 V56 L58 F86 F88 L120 S121 F122Y13-F94 HydrophobicContact CD1-CB 4.33Å; Y13-F94 HydrophobicContact CE1-CB 4.41Å; V14-F94 HydrophobicContact CG2-CB 3.77Å; V14-F94 HydrophobicContact CG2-CD1 4.37Å; V14-F94 HydrophobicContact CG2-CD2 3.61Å; V14-F94 HydrophobicContact CG2-CE2 4.31Å; V14-F94 HydrophobicContact CG2-CG 3.66Å; V56-F94 HydrophobicContact CB-CE2 4.42Å; V56-F94 HydrophobicContact CG1-CE2 3.88Å; L58-F94 HydrophobicContact CD1-CE1 3.73Å; L58-F94 HydrophobicContact CD1-CZ 3.77Å; L58-F94 HydrophobicContact CD2-CE2 4.36Å; L58-F94 HydrophobicContact CD2-CZ 4.18Å; L58-F94 HydrophobicContact CG-CE1 4.44Å; L58-F94 HydrophobicContact CG-CZ 3.99Å; F86-F94 HydrophobicContact CB-CZ 4.46Å; F86-F94 HydrophobicContact CD1-CE1 4.39Å; F86-F94 AromaticContact CD1-CZ 3.93Å; F86-F94 HydrophobicContact CD1-CZ 3.93Å; F86-F94 AromaticContact CD2-CZ 3.8Å; F86-F94 HydrophobicContact CD2-CZ 3.8Å; F86-F94 HydrophobicContact CE1-CE1 4.16Å; F86-F94 HydrophobicContact CE1-CZ 4.07Å; F86-F94 HydrophobicContact CE2-CE1 4.46Å; F86-F94 AromaticContact CE2-CZ 3.94Å; F86-F94 HydrophobicContact CE2-CZ 3.94Å; F86-F94 AromaticContact CG-CZ 3.81Å; F86-F94 HydrophobicContact CG-CZ 3.81Å; F86-F94 HydrophobicContact CZ-CE1 4.19Å; F86-F94 HydrophobicContact CZ-CZ 4.07Å; F88-F94 HydrophobicContact CE1-CD2 4.04Å; F88-F94 AromaticContact CE1-CE2 3.59Å; F88-F94 HydrophobicContact CE1-CE2 3.59Å; F88-F94 HydrophobicContact CE1-CZ 4.28Å; F88-F94 AromaticContact CZ-CD2 3.55Å; F88-F94 HydrophobicContact CZ-CD2 3.55Å; F88-F94 AromaticContact CZ-CE2 3.56Å; F88-F94 HydrophobicContact CZ-CE2 3.56Å; F94-L120 HydrophobicContact CB-CD1 4.42Å; F94-S121 CarbonylContact C-O 3.45Å; F94-S121 WeakPolarHBondContact CA-O 3.34Å; F94-F122 HydrophobicContact CD1-CB 4.17Å; F94-F122 HydrophobicContact CD1-CD2 4.24Å; F94-F122 HydrophobicContact CE1-CB 3.87Å; F94-F122 AromaticContact CE1-CD2 3.93Å; F94-F122 HydrophobicContact CE1-CD2 3.93Å; F94-F122 HydrophobicContact CE1-CG 4.33Å; F94-F122 HydrophobicContact CZ-CD2 4.16Å
95R94.8Very high95.7Very high50 Ų5046.1 Ų46.119%0.18923%0.228CC..EExtended strand (participates in β ladder)trans-142.4139.2174.4-160.8-170.9-173.2145.214.4111.3Y93 T97 L120 S121 V123 E269Y93-R95 HydrophobicContact CD2-CB 4.32Å; Y93-R95 HydrophobicContact CE2-CB 4.16Å; R95-T97 VanDerWaalsContact CD-CG2 3.43Å; R95-T97 HydrophobicContact CG-CG2 3.81Å; R95-L120 CarbonylContact O-C 3.52Å; R95-L120 WeakPolarHBondContact O-CA 3.46Å; R95-S121 PolarHBondContact N-O 2.95Å; R95-S121 PolarHBondContact O-N 2.85Å; R95-V123 HydrophobicContact CB-CG2 4.28Å; R95-E269 IonicContact CZ-OE1 3.36Å; R95-E269 IonicContact CZ-OE2 2.75Å; R95-E269 IonicContact NH1-OE1 3.97Å; R95-E269 PolarHBondContact NH1-OE1 3.28Å; R95-E269 IonicContact NH1-OE2 2.79Å; R95-E269 PolarHBondContact NH1-OE2 2.69Å; R95-E269 IonicContact NH2-OE2 2.71Å; R95-E269 PolarHBondContact NH2-OE2 2.94Å
96F95.6Very high95.7Very high20 Ų2046.5 Ų46.59%0.08823%0.231CC..EExtended strand (participates in β ladder)trans-111.9116.7172.9-162.7-113.7000110Y13 M17 V21 F23 T112 R118 V119 L120Y13-F96 PolarHBondContact OH-N 3.3Å; M17-F96 HydrophobicContact CB-CB 4.04Å; M17-F96 HydrophobicContact CB-CD1 4.28Å; M17-F96 HydrophobicContact CB-CG 4.21Å; M17-F96 HydrophobicContact CE-CB 4.18Å; M17-F96 HydrophobicContact CE-CD1 3.94Å; M17-F96 HydrophobicContact CG-CB 4.34Å; V21-F96 HydrophobicContact CG1-CZ 4.14Å; V21-F96 HydrophobicContact CG2-CZ 4.46Å; F23-F96 HydrophobicContact CE1-CE2 4.02Å; F23-F96 AromaticContact CZ-CE2 3.83Å; F23-F96 HydrophobicContact CZ-CE2 3.83Å; F96-T112 HydrophobicContact CE2-CG2 4.03Å; F96-T112 HydrophobicContact CZ-CG2 3.77Å; F96-R118 HydrophobicContact CE1-CB 3.98Å; F96-R118 HydrophobicContact CE1-CG 4.47Å; F96-R118 HydrophobicContact CE2-CB 4.22Å; F96-R118 HydrophobicContact CZ-CB 3.65Å; F96-V119 WeakPolarHBondContact CA-O 3.24Å; F96-L120 HydrophobicContact CB-CD1 4.38Å; F96-L120 HydrophobicContact CD2-CB 3.78Å; F96-L120 HydrophobicContact CD2-CD1 4.19Å; F96-L120 HydrophobicContact CE2-CB 4.21Å
97T95.9Very high95.7Very high10 Ų1046.7 Ų46.76%0.06123%0.232CC..EExtended strand (participates in β ladder)trans-131.5171.3-175.258.50000111.4R95 E101 R118 V119R95-T97 VanDerWaalsContact CD-CG2 3.43Å; R95-T97 HydrophobicContact CG-CG2 3.81Å; T97-E101 HydrophobicContact CG2-CB 4.5Å; T97-R118 CarbonylContact O-C 3.49Å; T97-R118 VanDerWaalsContact O-CA 3.23Å; T97-R118 WeakPolarHBondContact O-CA 3.48Å; T97-R118 WeakPolarHBondContact O-CB 3.28Å; T97-V119 PolarHBondContact N-O 3.48Å; T97-V119 PolarHBondContact O-N 3.17Å
98S96.6Very high95.7Very high31 Ų3144.6 Ų44.622%0.21722%0.224CC..EExtended strand (participates in β ladder)trans-68165.5159.1620000111D100 E101S98-D100 VanDerWaalsContact C-N 3.3Å; S98-D100 WeakPolarHBondContact CB-OD1 3.36Å; S98-D100 PolarHBondContact O-N 3.11Å; S98-D100 PolarHBondContact OG-OD1 3.04Å; S98-E101 PolarHBondContact O-N 3.4Å; S98-E101 WeakPolarHBondContact OG-CB 3Å; S98-E101 VanDerWaalsContact OG-CG 3.3Å; S98-E101 WeakPolarHBondContact OG-CG 3.48Å; S98-E101 PolarHBondContact OG-OE2 3.43Å
99E95.4Very high95.8Very high91 Ų9147.3 Ų47.343%0.42523%0.234SC..G310 helixtrans-65.4-29.6180-175.5165.9-138.500113.5V102 Y111 R117 V119E99-V102 WeakPolarHBondContact O-CG2 3.43Å; E99-Y111 HydrophobicContact CG-CE1 4.24Å; E99-R117 HydrophobicContact CB-CB 4.29Å; E99-R117 PolarHBondContact N-O 3.02Å; E99-R117 VanDerWaalsContact N-O 3.13Å; E99-R117 IonicContact OE1-NH1 2.71Å; E99-V119 HydrophobicContact CB-CG2 4.23Å
100D95.3Very high96Very high141 Ų14146.7 Ų46.775%0.75423%0.227SC*.G310 helixtrans-79.2-17.2176.558.9-52.4000113.7S98S98-D100 VanDerWaalsContact C-N 3.3Å; S98-D100 WeakPolarHBondContact CB-OD1 3.36Å; S98-D100 PolarHBondContact O-N 3.11Å; S98-D100 PolarHBondContact OG-OD1 3.04Å
101E95.6Very high96.4Very high126 Ų12644.3 Ų44.359%0.58921%0.214SC*.G310 helixtrans-105.317-178.4-66.1-177.1154.300113.4T97 S98 P103T97-E101 HydrophobicContact CG2-CB 4.5Å; S98-E101 PolarHBondContact O-N 3.4Å; S98-E101 WeakPolarHBondContact OG-CB 3Å; S98-E101 VanDerWaalsContact OG-CG 3.3Å; S98-E101 WeakPolarHBondContact OG-CG 3.48Å; S98-E101 PolarHBondContact OG-OE2 3.43Å; E101-P103 WeakPolarHBondContact O-CD 3.4Å
102V96.4Very high96.6Very high40 Ų4043.2 Ų43.224%0.24221%0.206CC..  trans-59.2123-179.2174.20000110.5E99 A106 V119E99-V102 WeakPolarHBondContact O-CG2 3.43Å; V102-A106 HydrophobicContact CG1-CB 3.73Å; V102-V119 HydrophobicContact CG2-CB 4.02Å; V102-V119 HydrophobicContact CG2-CG1 4.29Å; V102-V119 HydrophobicContact CG2-CG2 3.71Å
103P95.5Very high96.7Very high18 Ų1848.5 Ų48.512%0.11723%0.229CC..  trans-61.3143.2-177.9-26.736.2000113E101 H105 A106 V123E101-P103 WeakPolarHBondContact O-CD 3.4Å; P103-H105 PolarHBondContact O-N 3.38Å; P103-A106 WeakPolarHBondContact O-CB 3.49Å; P103-A106 PolarHBondContact O-N 3.46Å; P103-V123 HydrophobicContact CB-CG1 4.14Å; P103-V123 HydrophobicContact CB-CG2 3.93Å; P103-V123 HydrophobicContact CG-CG2 3.88Å
104K95.9Very high96.5Very high192 Ų19250.7 Ų50.784%0.83524%0.24SC*.THydrogen-bonded Turntrans-50.9-34.5179.4-179.5178.7178.7179.30114.1
105H96.5Very high96.3Very high54 Ų5460.1 Ų60.125%0.2528%0.281CS..THydrogen-bonded Turntrans-102.423.2-177.3-61.3-79.9000112.8P103 H107 V123 D124 T125P103-H105 PolarHBondContact O-N 3.38Å; H105-H107 PolarHBondContact O-CD2 3.36Å; H105-H107 PolarHBondContact O-N 2.89Å; H105-H107 VanDerWaalsContact O-N 3.13Å; H105-V123 HydrophobicContact CB-CG1 3.97Å; H105-V123 WeakPolarHBondContact O-CA 3.38Å; H105-D124 PolarHBondContact O-N 2.99Å; H105-D124 VanDerWaalsContact O-N 3.1Å; H105-T125 HydrophobicContact CB-CG2 4.07Å
106A97.7Very high96.2Very high7 Ų763.3 Ų63.36%0.05831%0.308CS..EExtended strand (participates in β ladder)trans-70.1101.1172.500000110.3V102 P103 R109 V123V102-A106 HydrophobicContact CG1-CB 3.73Å; P103-A106 WeakPolarHBondContact O-CB 3.49Å; P103-A106 PolarHBondContact O-N 3.46Å; A106-R109 HydrophobicContact CB-CG 4.06Å; A106-V123 HydrophobicContact CB-CG2 4.43Å
107H98.4Very high96.2Very high5 Ų566.1 Ų66.12%0.02332%0.318CS..EExtended strand (participates in β ladder)trans-93.4-21-172.1-71.2-47.7000114K29 S30 H105 F122 D124 W131K29-H107 CarbonylContact C-O 3.58Å; K29-H107 WeakPolarHBondContact CA-O 3.27Å; S30-H107 PolarHBondContact N-O 2.94Å; S30-H107 PolarHBondContact OG-ND1 3.32Å; H105-H107 PolarHBondContact O-CD2 3.36Å; H105-H107 PolarHBondContact O-N 2.89Å; H105-H107 VanDerWaalsContact O-N 3.13Å; H107-F122 PolarHBondContact N-O 2.94Å; H107-D124 PolarHBondContact CD2-O 3.11Å; H107-D124 PolarHBondContact NE2-O 3.37Å; H107-W131 HydrophobicContact CB-CH2 4.08Å; H107-W131 HydrophobicContact CB-CZ3 4.3Å
108L98.6Very high96.3Very high0 Ų069.7 Ų69.70%033%0.331CS..EExtended strand (participates in β ladder)trans-139.2130.2171.1-165.571.1000109V27 I28 K29 V38 F86 F110 S121 F122 W131V27-L108 HydrophobicContact CG1-CD1 3.61Å; V27-L108 HydrophobicContact CG1-CD2 4.31Å; V27-L108 HydrophobicContact CG1-CG 3.82Å; I28-L108 CarbonylContact O-C 3.6Å; I28-L108 WeakPolarHBondContact O-CA 3.34Å; K29-L108 HydrophobicContact CB-CD1 4.08Å; V38-L108 HydrophobicContact CG2-CD1 3.87Å; V38-L108 HydrophobicContact CG2-CD2 4.14Å; F86-L108 HydrophobicContact CE1-CD2 3.72Å; F86-L108 HydrophobicContact CZ-CD2 3.64Å; L108-F110 HydrophobicContact CD2-CE2 4.08Å; L108-F110 HydrophobicContact CD2-CZ 3.64Å; L108-F110 HydrophobicContact CG-CE2 4.2Å; L108-F110 HydrophobicContact CG-CZ 4.06Å; L108-S121 CarbonylContact O-C 3.58Å; L108-S121 VanDerWaalsContact O-CA 3.31Å; L108-S121 WeakPolarHBondContact O-CA 3.36Å; L108-F122 HydrophobicContact CB-CB 4.1Å; L108-F122 PolarHBondContact N-O 3.48Å; L108-F122 PolarHBondContact O-N 2.87Å; L108-W131 HydrophobicContact CB-CH2 4.13Å; L108-W131 HydrophobicContact CB-CZ2 4.17Å; L108-W131 HydrophobicContact CD1-CZ2 3.87Å; L108-W131 HydrophobicContact CD2-CD2 4.34Å; L108-W131 HydrophobicContact CD2-CG 4.45Å; L108-W131 HydrophobicContact CG-CZ2 4.42Å
109R98.6Very high96.4Very high60 Ų6068.2 Ų68.223%0.22632%0.32CS..EExtended strand (participates in β ladder)trans-131.5135.5-168.9-65.2170-72.5-179.1-6.3111.4I28 A106 Y111 V119 L120I28-R109 HydrophobicContact CB-CB 4.38Å; I28-R109 VanDerWaalsContact CG2-NH2 3.26Å; I28-R109 PolarHBondContact N-O 2.89Å; I28-R109 PolarHBondContact O-N 3.33Å; A106-R109 HydrophobicContact CB-CG 4.06Å; R109-Y111 HydrophobicContact CB-CE2 3.87Å; R109-V119 HydrophobicContact CB-CG1 3.91Å; R109-V119 HydrophobicContact CG-CG1 4.23Å; R109-L120 CarbonylContact C-O 3.6Å; R109-L120 WeakPolarHBondContact CA-O 3.37Å
110F98.6Very high96.5Very high0 Ų063.9 Ų63.90%030%0.3CS..EExtended strand (participates in β ladder)trans-123.4118.9176.5-46-99.1000108.2F23 V27 I47 L58 L60 I84 F86 L108 V119 L120F23-F110 HydrophobicContact CD1-CB 3.85Å; F23-F110 HydrophobicContact CE1-CB 4.02Å; V27-F110 HydrophobicContact CB-CD1 4.39Å; V27-F110 HydrophobicContact CB-CE1 4.29Å; V27-F110 HydrophobicContact CG1-CD1 3.88Å; V27-F110 HydrophobicContact CG1-CE1 3.53Å; V27-F110 HydrophobicContact CG1-CZ 4.01Å; V27-F110 HydrophobicContact CG2-CD1 3.71Å; V27-F110 HydrophobicContact CG2-CE1 3.71Å; I47-F110 HydrophobicContact CD1-CB 3.7Å; I47-F110 HydrophobicContact CD1-CD1 3.86Å; I47-F110 HydrophobicContact CD1-CD2 4.47Å; I47-F110 HydrophobicContact CD1-CG 3.77Å; L58-F110 HydrophobicContact CD1-CE2 4.12Å; L58-F110 HydrophobicContact CD1-CZ 4.07Å; L60-F110 HydrophobicContact CD1-CD1 4.46Å; L60-F110 HydrophobicContact CD1-CE1 4.08Å; L60-F110 HydrophobicContact CD2-CD1 4.17Å; L60-F110 HydrophobicContact CD2-CE1 3.95Å; I84-F110 HydrophobicContact CD1-CE1 4Å; I84-F110 HydrophobicContact CD1-CZ 4.15Å; F86-F110 HydrophobicContact CZ-CZ 4.36Å; L108-F110 HydrophobicContact CD2-CE2 4.08Å; L108-F110 HydrophobicContact CD2-CZ 3.64Å; L108-F110 HydrophobicContact CG-CE2 4.2Å; L108-F110 HydrophobicContact CG-CZ 4.06Å; F110-V119 CarbonylContact O-C 3.53Å; F110-V119 WeakPolarHBondContact O-CA 3.43Å; F110-L120 HydrophobicContact CB-CB 4.24Å; F110-L120 HydrophobicContact CD2-CB 4.17Å; F110-L120 HydrophobicContact CD2-CD2 4.11Å; F110-L120 HydrophobicContact CD2-CG 4.2Å; F110-L120 WeakPolarHBondContact CD2-O 3.33Å; F110-L120 PolarHBondContact N-O 3.05Å; F110-L120 PolarHBondContact O-N 2.75Å
111Y98.3Very high96.7Very high29 Ų2957.2 Ų57.211%0.11426%0.264CS..EExtended strand (participates in β ladder)trans-99.9140.6-173.9-68.5-96.9000111.9F23 S24 I28 E99 R109 R117 V119F23-Y111 WeakPolarHBondContact CA-O 2.91Å; F23-Y111 WeakPolarHBondContact CD1-O 3.47Å; S24-Y111 PolarHBondContact N-O 3.07Å; I28-Y111 HydrophobicContact CB-CE2 4.24Å; I28-Y111 HydrophobicContact CG1-CD2 4.34Å; I28-Y111 HydrophobicContact CG1-CE2 3.89Å; E99-Y111 HydrophobicContact CG-CE1 4.24Å; R109-Y111 HydrophobicContact CB-CE2 3.87Å; Y111-R117 VanDerWaalsContact CB-CZ 3.44Å; Y111-V119 HydrophobicContact CD1-CB 4.39Å; Y111-V119 HydrophobicContact CD1-CG1 4.16Å; Y111-V119 HydrophobicContact CD1-CG2 3.47Å; Y111-V119 VanDerWaalsContact CD1-CG2 3.47Å; Y111-V119 HydrophobicContact CE1-CB 4.41Å; Y111-V119 HydrophobicContact CE1-CG1 4.03Å; Y111-V119 HydrophobicContact CE1-CG2 3.44Å; Y111-V119 VanDerWaalsContact CE1-CG2 3.44Å; Y111-V119 HydrophobicContact CE2-CG1 4.43Å; Y111-V119 HydrophobicContact CG-CG1 4.4Å; Y111-V119 HydrophobicContact CG-CG2 4.36Å
112T98.2Very high96.8Very high0 Ų051.2 Ų51.20%024%0.236CC..BIsolated β-bridgetrans-72.2158.817567.20000112V21 V22 F23 F96 E114 R117 R118V21-T112 HydrophobicContact CG1-CG2 3.37Å; V22-T112 WeakPolarHBondContact O-CA 3.19Å; F23-T112 HydrophobicContact CD1-CG2 4.12Å; F23-T112 HydrophobicContact CE1-CG2 3.91Å; F23-T112 HydrophobicContact CZ-CG2 4.27Å; F96-T112 HydrophobicContact CE2-CG2 4.03Å; F96-T112 HydrophobicContact CZ-CG2 3.77Å; T112-E114 PolarHBondContact OG1-OE1 2.8Å; T112-E114 VanDerWaalsContact OG1-OE1 3.07Å; T112-R117 PolarHBondContact O-NE 2.68Å; T112-R117 VanDerWaalsContact O-NE 3.11Å; T112-R118 HydrophobicContact CG2-CB 3.9Å; T112-R118 PolarHBondContact N-O 3.3Å; T112-R118 PolarHBondContact OG1-N 3.01Å; T112-R118 PolarHBondContact OG1-O 2.83Å
113K96.2Very high96.8Very high115 Ų11549.3 Ų49.350%0.523%0.225SC..SBendtrans-81.7-28.4175.8-172.1174.7-177.3-178.70112.7V22 S24 S44V22-K113 HydrophobicContact CB-CB 4.43Å; V22-K113 HydrophobicContact CG1-CB 4.12Å; V22-K113 HydrophobicContact CG1-CD 4.04Å; V22-K113 PolarHBondContact O-N 2.79Å; S24-K113 WeakPolarHBondContact OG-CA 3.36Å; S44-K113 WeakPolarHBondContact OG-CD 3.28Å; S44-K113 PolarHBondContact OG-NZ 3.39Å
114E92.5Very high96.9Very high75 Ų7548.6 Ų48.635%0.3522%0.22SC..SBendtrans-66.6167.9-178.580.7-153.7144.600112.6T112 R117 R118T112-E114 PolarHBondContact OG1-OE1 2.8Å; T112-E114 VanDerWaalsContact OG1-OE1 3.07Å; E114-R117 WeakPolarHBondContact O-CG 3.43Å; E114-R118 IonicContact OE1-CZ 3.14Å; E114-R118 IonicContact OE1-NE 2.69Å; E114-R118 PolarHBondContact OE1-NE 3.45Å; E114-R118 IonicContact OE1-NH2 3.8Å; E114-R118 PolarHBondContact OE1-NH2 2.98Å; E114-R118 IonicContact OE2-CZ 3.86Å; E114-R118 IonicContact OE2-NH2 2.95Å; E114-R118 PolarHBondContact OE2-NH2 2.81Å
115K92.4Very high96.8Very high199 Ų19942.8 Ų42.887%0.86520%0.201SC*.SBendtrans-125.5132.5173.2-68.1-173.1178.5-176.60110
116P92.9Very high96.8Very high117 Ų11746.3 Ų46.376%0.7621%0.212SC*.SBendcis-64.5150-5.329.8-35.5000111.8
117R95.5Very high96.7Very high78 Ų7852.1 Ų52.129%0.29423%0.232SC..  trans-71.6146.9-177.5-58.8-177.983.1-177.110.8110.2E99 Y111 T112 E114E99-R117 HydrophobicContact CB-CB 4.29Å; E99-R117 PolarHBondContact N-O 3.02Å; E99-R117 VanDerWaalsContact N-O 3.13Å; E99-R117 IonicContact OE1-NH1 2.71Å; Y111-R117 VanDerWaalsContact CB-CZ 3.44Å; T112-R117 PolarHBondContact O-NE 2.68Å; T112-R117 VanDerWaalsContact O-NE 3.11Å; E114-R117 WeakPolarHBondContact O-CG 3.43Å
118R97.6Very high96.6Very high86 Ų8657.3 Ų57.333%0.32526%0.255SS..EExtended strand (participates in β ladder)trans-116.3163.1168.6-67.4-177-69172.7-1.6109.4F96 T97 T112 E114F96-R118 HydrophobicContact CE1-CB 3.98Å; F96-R118 HydrophobicContact CE1-CG 4.47Å; F96-R118 HydrophobicContact CE2-CB 4.22Å; F96-R118 HydrophobicContact CZ-CB 3.65Å; T97-R118 CarbonylContact O-C 3.49Å; T97-R118 VanDerWaalsContact O-CA 3.23Å; T97-R118 WeakPolarHBondContact O-CA 3.48Å; T97-R118 WeakPolarHBondContact O-CB 3.28Å; T112-R118 HydrophobicContact CG2-CB 3.9Å; T112-R118 PolarHBondContact N-O 3.3Å; T112-R118 PolarHBondContact OG1-N 3.01Å; T112-R118 PolarHBondContact OG1-O 2.83Å; E114-R118 IonicContact OE1-CZ 3.14Å; E114-R118 IonicContact OE1-NE 2.69Å; E114-R118 PolarHBondContact OE1-NE 3.45Å; E114-R118 IonicContact OE1-NH2 3.8Å; E114-R118 PolarHBondContact OE1-NH2 2.98Å; E114-R118 IonicContact OE2-CZ 3.86Å; E114-R118 IonicContact OE2-NH2 2.95Å; E114-R118 PolarHBondContact OE2-NH2 2.81Å
119V98.1Very high96.5Very high0 Ų057.5 Ų57.50%026%0.257CS..EExtended strand (participates in β ladder)trans-137.5121.3-171.8-163.80000109.9F96 T97 E99 V102 R109 F110 Y111F96-V119 WeakPolarHBondContact CA-O 3.24Å; T97-V119 PolarHBondContact N-O 3.48Å; T97-V119 PolarHBondContact O-N 3.17Å; E99-V119 HydrophobicContact CB-CG2 4.23Å; V102-V119 HydrophobicContact CG2-CB 4.02Å; V102-V119 HydrophobicContact CG2-CG1 4.29Å; V102-V119 HydrophobicContact CG2-CG2 3.71Å; R109-V119 HydrophobicContact CB-CG1 3.91Å; R109-V119 HydrophobicContact CG-CG1 4.23Å; F110-V119 CarbonylContact O-C 3.53Å; F110-V119 WeakPolarHBondContact O-CA 3.43Å; Y111-V119 HydrophobicContact CD1-CB 4.39Å; Y111-V119 HydrophobicContact CD1-CG1 4.16Å; Y111-V119 HydrophobicContact CD1-CG2 3.47Å; Y111-V119 VanDerWaalsContact CD1-CG2 3.47Å; Y111-V119 HydrophobicContact CE1-CB 4.41Å; Y111-V119 HydrophobicContact CE1-CG1 4.03Å; Y111-V119 HydrophobicContact CE1-CG2 3.44Å; Y111-V119 VanDerWaalsContact CE1-CG2 3.44Å; Y111-V119 HydrophobicContact CE2-CG1 4.43Å; Y111-V119 HydrophobicContact CG-CG1 4.4Å; Y111-V119 HydrophobicContact CG-CG2 4.36Å
120L98.4Very high96.5Very high0 Ų056 Ų560%026%0.256CS..EExtended strand (participates in β ladder)trans-82.3126.4160.8-17768.6000108V14 F23 I47 L58 F94 R95 F96 R109 F110V14-L120 HydrophobicContact CG1-CD2 4.13Å; V14-L120 HydrophobicContact CG2-CD1 4.43Å; F23-L120 HydrophobicContact CE1-CB 3.95Å; F23-L120 HydrophobicContact CZ-CB 4.23Å; I47-L120 HydrophobicContact CD1-CD2 4.03Å; I47-L120 HydrophobicContact CG2-CD2 4.2Å; L58-L120 HydrophobicContact CD1-CD2 4.39Å; F94-L120 HydrophobicContact CB-CD1 4.42Å; R95-L120 CarbonylContact O-C 3.52Å; R95-L120 WeakPolarHBondContact O-CA 3.46Å; F96-L120 HydrophobicContact CB-CD1 4.38Å; F96-L120 HydrophobicContact CD2-CB 3.78Å; F96-L120 HydrophobicContact CD2-CD1 4.19Å; F96-L120 HydrophobicContact CE2-CB 4.21Å; R109-L120 CarbonylContact C-O 3.6Å; R109-L120 WeakPolarHBondContact CA-O 3.37Å; F110-L120 HydrophobicContact CB-CB 4.24Å; F110-L120 HydrophobicContact CD2-CB 4.17Å; F110-L120 HydrophobicContact CD2-CD2 4.11Å; F110-L120 HydrophobicContact CD2-CG 4.2Å; F110-L120 WeakPolarHBondContact CD2-O 3.33Å; F110-L120 PolarHBondContact N-O 3.05Å; F110-L120 PolarHBondContact O-N 2.75Å
121S98.2Very high96.4Very high0 Ų056.4 Ų56.40%026%0.257CS..EExtended strand (participates in β ladder)trans-125.2134.2-177.7-63.90000110.9F94 R95 L108F94-S121 CarbonylContact C-O 3.45Å; F94-S121 WeakPolarHBondContact CA-O 3.34Å; R95-S121 PolarHBondContact N-O 2.95Å; R95-S121 PolarHBondContact O-N 2.85Å; L108-S121 CarbonylContact O-C 3.58Å; L108-S121 VanDerWaalsContact O-CA 3.31Å; L108-S121 WeakPolarHBondContact O-CA 3.36Å
122F98.4Very high96.4Very high0 Ų059.3 Ų59.30%027%0.272CS..EExtended strand (participates in β ladder)trans-85.6113.4157.5-178.4-110.9000108.4F86 F88 F94 H107 L108 D124 W131F86-F122 HydrophobicContact CD1-CD1 4.32Å; F86-F122 AromaticContact CD1-CD2 4Å; F86-F122 HydrophobicContact CD1-CD2 4Å; F86-F122 HydrophobicContact CD1-CE2 4.29Å; F86-F122 HydrophobicContact CD1-CG 4.02Å; F86-F122 HydrophobicContact CE1-CB 4.1Å; F86-F122 HydrophobicContact CE1-CD1 4.41Å; F86-F122 HydrophobicContact CE1-CD2 4.38Å; F86-F122 HydrophobicContact CE1-CG 4.03Å; F88-F122 AromaticContact CD1-CE2 3.6Å; F88-F122 HydrophobicContact CD1-CE2 3.6Å; F88-F122 HydrophobicContact CD1-CZ 4.28Å; F88-F122 HydrophobicContact CE1-CD2 4.36Å; F88-F122 AromaticContact CE1-CE2 3.81Å; F88-F122 HydrophobicContact CE1-CE2 3.81Å; F88-F122 HydrophobicContact CG-CE2 4.23Å; F94-F122 HydrophobicContact CD1-CB 4.17Å; F94-F122 HydrophobicContact CD1-CD2 4.24Å; F94-F122 HydrophobicContact CE1-CB 3.87Å; F94-F122 AromaticContact CE1-CD2 3.93Å; F94-F122 HydrophobicContact CE1-CD2 3.93Å; F94-F122 HydrophobicContact CE1-CG 4.33Å; F94-F122 HydrophobicContact CZ-CD2 4.16Å; H107-F122 PolarHBondContact N-O 2.94Å; L108-F122 HydrophobicContact CB-CB 4.1Å; L108-F122 PolarHBondContact N-O 3.48Å; L108-F122 PolarHBondContact O-N 2.87Å; F122-D124 HydrophobicContact CE1-CB 4Å; F122-D124 HydrophobicContact CZ-CB 4.27Å; F122-W131 HydrophobicContact CD1-CE3 4.02Å; F122-W131 AromaticContact CD1-CZ3 3.87Å; F122-W131 HydrophobicContact CD1-CZ3 3.87Å; F122-W131 HydrophobicContact CE1-CE3 4.13Å; F122-W131 HydrophobicContact CE1-CZ3 4.12Å
123V97.1Very high96.3Very high1 Ų160.6 Ų60.61%0.00628%0.28CS..EExtended strand (participates in β ladder)trans-105.3132-177-173.30000108.6G92 Y93 R95 P103 H105 A106G92-V123 CarbonylContact C-O 3.54Å; G92-V123 VanDerWaalsContact CA-O 3.25Å; G92-V123 WeakPolarHBondContact CA-O 3.33Å; Y93-V123 HydrophobicContact CD1-CB 4.23Å; Y93-V123 HydrophobicContact CD2-CB 4.16Å; Y93-V123 HydrophobicContact CD2-CG2 4.46Å; Y93-V123 HydrophobicContact CE1-CB 3.8Å; Y93-V123 HydrophobicContact CE1-CG1 3.73Å; Y93-V123 HydrophobicContact CE2-CB 3.8Å; Y93-V123 HydrophobicContact CE2-CG1 4.21Å; Y93-V123 HydrophobicContact CE2-CG2 4Å; Y93-V123 HydrophobicContact CG-CB 4.41Å; Y93-V123 PolarHBondContact N-O 3.18Å; Y93-V123 PolarHBondContact O-N 3.25Å; Y93-V123 WeakPolarHBondContact OH-CG1 3.5Å; R95-V123 HydrophobicContact CB-CG2 4.28Å; P103-V123 HydrophobicContact CB-CG1 4.14Å; P103-V123 HydrophobicContact CB-CG2 3.93Å; P103-V123 HydrophobicContact CG-CG2 3.88Å; H105-V123 HydrophobicContact CB-CG1 3.97Å; H105-V123 WeakPolarHBondContact O-CA 3.38Å; A106-V123 HydrophobicContact CB-CG2 4.43Å
124D96.8Very high96.2Very high3 Ų360.6 Ų60.62%0.01629%0.286CS..EExtended strand (participates in β ladder)trans-152.198.7176.6-179.917.9000112.2S91 H105 H107 F122 R126 R127 F128 G129S91-D124 PolarHBondContact OG-OD1 2.83Å; H105-D124 PolarHBondContact O-N 2.99Å; H105-D124 VanDerWaalsContact O-N 3.1Å; H107-D124 PolarHBondContact CD2-O 3.11Å; H107-D124 PolarHBondContact NE2-O 3.37Å; F122-D124 HydrophobicContact CE1-CB 4Å; F122-D124 HydrophobicContact CZ-CB 4.27Å; D124-R126 VanDerWaalsContact C-N 3.32Å; D124-R126 PolarHBondContact O-N 3.05Å; D124-R126 PolarHBondContact OD1-N 3.13Å; D124-R127 VanDerWaalsContact CG-N 3.35Å; D124-R127 PolarHBondContact O-N 3.31Å; D124-R127 PolarHBondContact OD1-N 2.95Å; D124-R127 VanDerWaalsContact OD2-C 3.24Å; D124-R127 WeakPolarHBondContact OD2-CA 3.5Å; D124-R127 PolarHBondContact OD2-N 2.88Å; D124-F128 PolarHBondContact OD2-N 2.9Å; D124-G129 WeakPolarHBondContact OD2-CA 3.17Å; D124-G129 PolarHBondContact OD2-N 3.44Å
125T94.5Very high95.9Very high70 Ų7057.2 Ų57.243%0.42927%0.271SS..THydrogen-bonded Turntrans-62.2-36.2-175.3570000113.5S91 H105S91-T125 WeakPolarHBondContact CB-OG1 3.31Å; S91-T125 PolarHBondContact OG-OG1 3.43Å; H105-T125 HydrophobicContact CB-CG2 4.07Å
126R95.3Very high95.9Very high128 Ų12852.9 Ų52.948%0.48326%0.261SS..THydrogen-bonded Turntrans-92.6-9.1-176.8-56.9175.965.3171.86.1113.8M90 S91 D124 F128M90-R126 VanDerWaalsContact CE-NH1 3.26Å; M90-R126 PolarHBondContact SD-NH1 3.17Å; S91-R126 WeakPolarHBondContact OG-CB 3.14Å; S91-R126 VanDerWaalsContact OG-CG 3.25Å; S91-R126 WeakPolarHBondContact OG-CG 3.46Å; S91-R126 PolarHBondContact OG-N 2.55Å; S91-R126 VanDerWaalsContact OG-N 3.11Å; D124-R126 VanDerWaalsContact C-N 3.32Å; D124-R126 PolarHBondContact O-N 3.05Å; D124-R126 PolarHBondContact OD1-N 3.13Å; R126-F128 HydrophobicContact CB-CD2 4.3Å; R126-F128 HydrophobicContact CB-CG 4.37Å; R126-F128 VanDerWaalsContact O-CD1 3.31Å; R126-F128 WeakPolarHBondContact O-CD1 3.29Å; R126-F128 PolarHBondContact O-N 3.33Å
127R96.2Very high96.1Very high128 Ų12850.1 Ų50.148%0.48324%0.235SC..  trans56.336.2178.7-50.3-175-159.4159.49113.6V32 D124V32-R127 PolarHBondContact O-NH1 2.83Å; D124-R127 VanDerWaalsContact CG-N 3.35Å; D124-R127 PolarHBondContact O-N 3.31Å; D124-R127 PolarHBondContact OD1-N 2.95Å; D124-R127 VanDerWaalsContact OD2-C 3.24Å; D124-R127 WeakPolarHBondContact OD2-CA 3.5Å; D124-R127 PolarHBondContact OD2-N 2.88Å
128F96.3Very high96Very high115 Ų11548.5 Ų48.550%0.50423%0.231SC..  trans-97-13.4173.7-68.2-11.3000112.3M90 D124 R126M90-F128 HydrophobicContact CB-CD2 4.44Å; M90-F128 HydrophobicContact CE-CD2 3.26Å; M90-F128 HydrophobicContact CE-CE2 3.19Å; M90-F128 HydrophobicContact CG-CD2 4.49Å; D124-F128 PolarHBondContact OD2-N 2.9Å; R126-F128 HydrophobicContact CB-CD2 4.3Å; R126-F128 HydrophobicContact CB-CG 4.37Å; R126-F128 VanDerWaalsContact O-CD1 3.31Å; R126-F128 WeakPolarHBondContact O-CD1 3.29Å; R126-F128 PolarHBondContact O-N 3.33Å
129G96.9Very high95.8Very high3 Ų350.5 Ų50.53%0.03126%0.256CS..  trans-67.4147.7170.200000111.3N35 R87 D124N35-G129 PolarHBondContact ND2-O 3.12Å; R87-G129 CarbonylContact O-C 3.57Å; R87-G129 WeakPolarHBondContact O-CA 3.42Å; D124-G129 WeakPolarHBondContact OD2-CA 3.17Å; D124-G129 PolarHBondContact OD2-N 3.44Å
130S97.4Very high95.6Very high30 Ų3055.6 Ų55.621%0.2128%0.283CS..EExtended strand (participates in β ladder)trans-133.1154.9176.856.90000111.1N35 F86 R87N35-S130 WeakPolarHBondContact OD1-CA 3.44Å; N35-S130 WeakPolarHBondContact OD1-CB 3.48Å; F86-S130 CarbonylContact C-O 3.59Å; F86-S130 WeakPolarHBondContact CA-O 3.28Å; R87-S130 PolarHBondContact N-O 3.05Å; R87-S130 PolarHBondContact NE-OG 2.82Å; R87-S130 PolarHBondContact NH2-OG 2.76Å; R87-S130 PolarHBondContact O-N 3.13Å
131W98.3Very high95.6Very high7 Ų757.6 Ų57.63%0.02729%0.29CS..EExtended strand (participates in β ladder)trans-137.2155.917062.586.3000112.3K29 S33 N35 P36 I84 V85 F86 H107 L108 F122K29-W131 HydrophobicContact CD-CH2 4.21Å; K29-W131 HydrophobicContact CD-CZ2 3.5Å; K29-W131 HydrophobicContact CG-CH2 4.2Å; K29-W131 HydrophobicContact CG-CZ2 3.75Å; S33-W131 WeakPolarHBondContact OG-CH2 3.21Å; N35-W131 HydrophobicContact CB-CD2 3.59Å; N35-W131 HydrophobicContact CB-CE3 3.7Å; N35-W131 HydrophobicContact CB-CG 4.42Å; N35-W131 HydrophobicContact CB-CH2 3.56Å; N35-W131 HydrophobicContact CB-CZ2 3.37Å; N35-W131 HydrophobicContact CB-CZ3 3.68Å; N35-W131 WeakPolarHBondContact ND2-CZ3 3.45Å; N35-W131 PolarHBondContact OD1-N 3.29Å; P36-W131 WeakPolarHBondContact CD-O 3.32Å; P36-W131 VanDerWaalsContact CG-O 3.28Å; P36-W131 WeakPolarHBondContact CG-O 3.45Å; P36-W131 PolarHBondContact O-NE1 2.73Å; I84-W131 HydrophobicContact CG2-CB 4.01Å; I84-W131 HydrophobicContact CG2-CG 4.42Å; V85-W131 CarbonylContact O-C 3.59Å; V85-W131 WeakPolarHBondContact O-CA 3.29Å; F86-W131 HydrophobicContact CD1-CB 3.68Å; F86-W131 HydrophobicContact CE1-CB 3.77Å; F86-W131 HydrophobicContact CE1-CD2 4.49Å; F86-W131 HydrophobicContact CE1-CG 4.22Å; F86-W131 HydrophobicContact CG-CB 4.18Å; F86-W131 HydrophobicContact CZ-CB 4.34Å; H107-W131 HydrophobicContact CB-CH2 4.08Å; H107-W131 HydrophobicContact CB-CZ3 4.3Å; L108-W131 HydrophobicContact CB-CH2 4.13Å; L108-W131 HydrophobicContact CB-CZ2 4.17Å; L108-W131 HydrophobicContact CD1-CZ2 3.87Å; L108-W131 HydrophobicContact CD2-CD2 4.34Å; L108-W131 HydrophobicContact CD2-CG 4.45Å; L108-W131 HydrophobicContact CG-CZ2 4.42Å; F122-W131 HydrophobicContact CD1-CE3 4.02Å; F122-W131 AromaticContact CD1-CZ3 3.87Å; F122-W131 HydrophobicContact CD1-CZ3 3.87Å; F122-W131 HydrophobicContact CE1-CE3 4.13Å; F122-W131 HydrophobicContact CE1-CZ3 4.12Å
132Q97.4Very high95.6Very high90 Ų9057.9 Ų57.942%0.42129%0.294SS..EExtended strand (participates in β ladder)trans-130.7108.5178.7-172.5174.211.700109.8I84 V85 G135I84-Q132 WeakPolarHBondContact CA-O 3.31Å; V85-Q132 PolarHBondContact N-O 2.86Å; V85-Q132 PolarHBondContact O-N 2.8Å; Q132-G135 PolarHBondContact O-N 3.3Å
133P96.4Very high95.6Very high28 Ų2858.7 Ų58.718%0.18230%0.299CS..EExtended strand (participates in β ladder)trans-70.9149.1173.130.6-33.7000110.6P36 V38 M82 D83 G135P36-P133 HydrophobicContact CB-CG 4.35Å; P36-P133 HydrophobicContact CG-CG 4.31Å; V38-P133 HydrophobicContact CG1-CB 4.5Å; V38-P133 HydrophobicContact CG2-CB 4.32Å; M82-P133 HydrophobicContact SD-CB 4.39Å; D83-P133 CarbonylContact O-C 3.55Å; P133-G135 PolarHBondContact O-N 3.44Å; P133-G135 VanDerWaalsContact O-N 3.14Å
134N94Very high95.7Very high115 Ų11558.7 Ų58.762%0.61530%0.299SS*.THydrogen-bonded Turntrans51.429.3-170.2-54.4-57.2000112.4D83D83-N134 WeakPolarHBondContact O-CA 3.04Å; D83-N134 PolarHBondContact O-N 3.42Å
135G84.9Confident95.7Very high3 Ų358.5 Ų58.53%0.03130%0.298CS..PPolyproline II helixtrans-86.5146.3-174.500000112D83 V85 Q132 P133D83-G135 PolarHBondContact O-N 2.84Å; V85-G135 WeakPolarHBondContact CG2-O 3.45Å; Q132-G135 PolarHBondContact O-N 3.3Å; P133-G135 PolarHBondContact O-N 3.44Å; P133-G135 VanDerWaalsContact O-N 3.14Å
136T92.9Very high95.9Very high108 Ų10855.5 Ų55.566%0.66328%0.279SS*.PPolyproline II helixtrans-96.8171.6158.7550000109.5
137W96.9Very high96Very high59 Ų5954.1 Ų54.122%0.22328%0.276CS..SBendtrans-52.2148.3169.7-54.7122.1000110.9R52 E55 K57 V85R52-W137 HydrophobicContact CB-CD2 3.83Å; R52-W137 HydrophobicContact CB-CE3 3.9Å; R52-W137 HydrophobicContact CB-CG 4.48Å; R52-W137 HydrophobicContact CB-CH2 3.88Å; R52-W137 HydrophobicContact CB-CZ2 3.83Å; R52-W137 HydrophobicContact CB-CZ3 3.93Å; R52-W137 HydrophobicContact CG-CD2 4.5Å; E55-W137 HydrophobicContact CB-CE3 3.76Å; E55-W137 HydrophobicContact CB-CZ3 3.7Å; K57-W137 HydrophobicContact CB-CE3 4.41Å; K57-W137 HydrophobicContact CB-CH2 3.22Å; K57-W137 HydrophobicContact CB-CZ2 3.79Å; K57-W137 HydrophobicContact CB-CZ3 3.58Å; K57-W137 HydrophobicContact CD-CH2 4.43Å; K57-W137 HydrophobicContact CD-CZ2 4.22Å; K57-W137 HydrophobicContact CG-CH2 4.44Å; V85-W137 HydrophobicContact CG1-CE3 4.13Å; V85-W137 HydrophobicContact CG1-CZ3 4.37Å
138Q94.3Very high96Very high44 Ų4450.9 Ų50.921%0.20627%0.267CS..PPolyproline II helixtrans-57.5123.8178.9-99.9-177.5-16.200110.5E55 R87 D140 R141E55-Q138 WeakPolarHBondContact OE1-CB 3.46Å; E55-Q138 WeakPolarHBondContact OE1-CG 3.26Å; E55-Q138 PolarHBondContact OE2-N 3.34Å; R87-Q138 VanDerWaalsContact NH1-CG 3.33Å; R87-Q138 VanDerWaalsContact NH1-NE2 3.14Å; Q138-D140 WeakPolarHBondContact CB-OD1 3.45Å; Q138-D140 PolarHBondContact O-N 3.31Å; Q138-R141 HydrophobicContact CB-CB 4.4Å; Q138-R141 HydrophobicContact CB-CG 3.82Å; Q138-R141 WeakPolarHBondContact O-CB 3.27Å; Q138-R141 PolarHBondContact O-N 3.42Å; Q138-R141 VanDerWaalsContact O-N 3.12Å
139P93.3Very high96Very high129 Ų12946 Ų4684%0.83825%0.245SC*.THydrogen-bonded Turntrans-69.1-22-17126.9-35.1000113.2R141P139-R141 VanDerWaalsContact C-N 3.28Å
140D94.3Very high96Very high107 Ų10752.1 Ų52.157%0.57227%0.271SS*.THydrogen-bonded Turntrans-84.30.2177.464.4-39.3000113.4Q138 K177Q138-D140 WeakPolarHBondContact CB-OD1 3.45Å; Q138-D140 PolarHBondContact O-N 3.31Å; D140-K177 VanDerWaalsContact O-CA 3.3Å; D140-K177 WeakPolarHBondContact O-CA 3.21Å
141R97.7Very high96Very high41 Ų4153.6 Ų53.616%0.15528%0.281CS..  trans-98.2131177.7-67.5-175.1174-95.6-9.8112.4R52 Q138 P139 Q176 N180R52-R141 PolarHBondContact NH1-O 3.17Å; Q138-R141 HydrophobicContact CB-CB 4.4Å; Q138-R141 HydrophobicContact CB-CG 3.82Å; Q138-R141 WeakPolarHBondContact O-CB 3.27Å; Q138-R141 PolarHBondContact O-N 3.42Å; Q138-R141 VanDerWaalsContact O-N 3.12Å; P139-R141 VanDerWaalsContact C-N 3.28Å; R141-Q176 WeakPolarHBondContact CA-O 3.42Å; R141-Q176 HydrophobicContact CG-CB 4.2Å; R141-Q176 VanDerWaalsContact NH1-CG 3.33Å; R141-N180 PolarHBondContact NH1-OD1 3.24Å; R141-N180 VanDerWaalsContact NH1-OD1 3.09Å
142G98.1Very high96Very high7 Ų753.2 Ų53.27%0.07228%0.28CS..  trans-68.6-179.4175.900000113.8R52 Q176 K177 N180R52-G142 PolarHBondContact NH1-O 3.02Å; G142-Q176 PolarHBondContact N-O 3.43Å; G142-K177 WeakPolarHBondContact CA-O 3.41Å; G142-K177 PolarHBondContact N-O 2.89Å; G142-N180 VanDerWaalsContact O-CB 3.25Å; G142-N180 WeakPolarHBondContact O-CB 3.44Å; G142-N180 PolarHBondContact O-ND2 3.05Å
143P98.5Very high96Very high17 Ų1749.2 Ų49.211%0.1126%0.261CS..  trans-57.8146.3174.7-21.634.4000112.6I145 E148 F152 N155P143-I145 PolarHBondContact O-N 3.03Å; P143-E148 HydrophobicContact CB-CB 3.72Å; P143-F152 HydrophobicContact CB-CB 4.07Å; P143-N155 HydrophobicContact CG-CB 4.27Å
144C98.6Very high96.1Very high0 Ų053.5 Ų53.50%028%0.279CS..BIsolated β-bridgetrans-63.8123.8175.8-1790000110.7R52 G53 M146 F147 E148R52-C144 HydrophobicContact CG-CB 3.96Å; G53-C144 PolarHBondContact N-SG 2.82Å; C144-M146 PolarHBondContact O-N 3.04Å; C144-M146 VanDerWaalsContact O-N 3.11Å; C144-F147 PolarHBondContact O-N 3.08Å; C144-E148 HydrophobicContact CB-CB 4.45Å; C144-E148 HydrophobicContact CB-CG 4.33Å; C144-E148 WeakPolarHBondContact CB-OE2 3.14Å; C144-E148 PolarHBondContact N-OE2 2.62Å; C144-E148 CarbonylContact O-C 3.54Å; C144-E148 WeakPolarHBondContact O-CA 3.39Å; C144-E148 WeakPolarHBondContact O-CB 3.06Å; C144-E148 PolarHBondContact O-N 2.91Å
145I98.4Very high96.3Very high0 Ų049.7 Ų49.70%026%0.258CS..THydrogen-bonded Turntrans-57.2-27.317863.4-176.5000113.9P143 F152 N180 I182 C250 H251 P254P143-I145 PolarHBondContact O-N 3.03Å; I145-F152 HydrophobicContact CG2-CD2 3.82Å; I145-F152 HydrophobicContact CG2-CE1 4.49Å; I145-F152 HydrophobicContact CG2-CE2 3.8Å; I145-F152 HydrophobicContact CG2-CG 4.19Å; I145-F152 HydrophobicContact CG2-CZ 4.14Å; I145-N180 PolarHBondContact N-O 2.76Å; I145-I182 HydrophobicContact CD1-CD1 3.33Å; I145-I182 HydrophobicContact CD1-CG1 3.63Å; I145-I182 HydrophobicContact CG2-CG1 4.35Å; I145-C250 WeakPolarHBondContact CB-O 3.43Å; I145-C250 WeakPolarHBondContact CD1-O 3.45Å; I145-H251 WeakPolarHBondContact O-CA 3.42Å; I145-H251 WeakPolarHBondContact O-CB 3.35Å; I145-H251 PolarHBondContact O-ND1 2.9Å; I145-P254 HydrophobicContact CD1-CB 4.48Å; I145-P254 HydrophobicContact CD1-CG 3.75Å; I145-P254 HydrophobicContact CG1-CG 4.42Å
146M97.3Very high96.9Very high6 Ų649.5 Ų49.53%0.0326%0.257CS..THydrogen-bonded Turntrans-91.1-36.9-176-68.3-172.9-63.300113.5G4 P5 H8 C144 H251 P254 L255 V258G4-M146 VanDerWaalsContact O-CE 3.27Å; G4-M146 WeakPolarHBondContact O-CE 3.35Å; P5-M146 HydrophobicContact CG-SD 4.28Å; H8-M146 HydrophobicContact CB-CE 3.88Å; C144-M146 PolarHBondContact O-N 3.04Å; C144-M146 VanDerWaalsContact O-N 3.11Å; M146-H251 PolarHBondContact O-CE1 3.09Å; M146-H251 PolarHBondContact O-ND1 2.84Å; M146-P254 HydrophobicContact CG-CB 3.73Å; M146-P254 HydrophobicContact CG-CG 4.45Å; M146-P254 HydrophobicContact SD-CB 3.66Å; M146-L255 HydrophobicContact CB-CD2 4.02Å; M146-L255 HydrophobicContact CG-CD2 4.14Å; M146-L255 HydrophobicContact CG-CG 4.4Å; M146-L255 HydrophobicContact SD-CD2 4.24Å; M146-V258 HydrophobicContact SD-CG2 3.94Å
147F97.3Very high97.1Very high99 Ų9945.5 Ų45.543%0.43423%0.231SC..THydrogen-bonded Turntrans-122.4-1.4-167.4-54.4-55.2000113.9H8 C144 L255H8-F147 HydrophobicContact CB-CE2 4.04Å; H8-F147 HydrophobicContact CB-CZ 4.38Å; H8-F147 AromaticContact CD2-CZ 3.54Å; H8-F147 AromaticContact CE1-CE2 3.61Å; H8-F147 AromaticContact CE1-CZ 3.34Å; H8-F147 WeakPolarHBondContact CE1-CZ 3.34Å; H8-F147 AromaticContact CG-CE2 3.5Å; H8-F147 VanDerWaalsContact CG-CE2 3.5Å; H8-F147 AromaticContact CG-CZ 3.53Å; H8-F147 AromaticContact ND1-CE2 3.24Å; H8-F147 WeakPolarHBondContact ND1-CE2 3.44Å; H8-F147 AromaticContact ND1-CZ 3.43Å; H8-F147 WeakPolarHBondContact ND1-CZ 3.39Å; H8-F147 AromaticContact NE2-CZ 3.42Å; H8-F147 WeakPolarHBondContact NE2-CZ 3.25Å; C144-F147 PolarHBondContact O-N 3.08Å; F147-L255 HydrophobicContact CE1-CD2 4.18Å
148E97.9Very high97.1Very high61 Ų6146.1 Ų46.129%0.28524%0.244SC..  trans-132.141.7176.1-62.7165.692.500109.6R52 P143 C144 K150 S151 F152R52-E148 WeakPolarHBondContact CG-OE2 3.4Å; R52-E148 IonicContact CZ-OE1 2.74Å; R52-E148 IonicContact CZ-OE2 3.25Å; R52-E148 IonicContact NE-OE1 3.81Å; R52-E148 PolarHBondContact NE-OE1 2.8Å; R52-E148 IonicContact NE-OE2 2.97Å; R52-E148 PolarHBondContact NE-OE2 2.86Å; R52-E148 IonicContact NH2-OE1 2.66Å; R52-E148 PolarHBondContact NH2-OE1 2.8Å; R52-E148 IonicContact NH2-OE2 3.33Å; P143-E148 HydrophobicContact CB-CB 3.72Å; C144-E148 HydrophobicContact CB-CB 4.45Å; C144-E148 HydrophobicContact CB-CG 4.33Å; C144-E148 WeakPolarHBondContact CB-OE2 3.14Å; C144-E148 PolarHBondContact N-OE2 2.62Å; C144-E148 CarbonylContact O-C 3.54Å; C144-E148 WeakPolarHBondContact O-CA 3.39Å; C144-E148 WeakPolarHBondContact O-CB 3.06Å; C144-E148 PolarHBondContact O-N 2.91Å; E148-K150 PolarHBondContact O-N 2.92Å; E148-S151 PolarHBondContact O-N 3.25Å; E148-F152 WeakPolarHBondContact O-CB 3.09Å; E148-F152 PolarHBondContact O-N 2.88Å
149Y96.4Very high97.3Very high12 Ų1247.6 Ų47.65%0.04725%0.251CS..Hα-helixtrans-52.3-52.3-168.5175.8-124.7000114.1S151 F152 R153 D213 H251Y149-S151 PolarHBondContact O-N 3.46Å; Y149-F152 AromaticContact CD2-CD1 3.88Å; Y149-F152 HydrophobicContact CD2-CD1 3.88Å; Y149-F152 HydrophobicContact CD2-CE1 4.35Å; Y149-F152 HydrophobicContact CE2-CD1 4.26Å; Y149-F152 HydrophobicContact CE2-CE1 4.34Å; Y149-F152 WeakPolarHBondContact O-CB 3.36Å; Y149-F152 PolarHBondContact O-N 3.11Å; Y149-F152 VanDerWaalsContact O-N 3.16Å; Y149-R153 HydrophobicContact CE2-CB 4.47Å; Y149-R153 WeakPolarHBondContact O-CB 3.36Å; Y149-R153 PolarHBondContact O-N 2.92Å; Y149-R153 PolarHBondContact OH-NH1 3.29Å; Y149-D213 HydrophobicContact CE1-CB 4.01Å; Y149-D213 PolarHBondContact OH-OD2 2.8Å; Y149-H251 HydrophobicContact CD2-CB 3.39Å; Y149-H251 AromaticContact CD2-CG 3.59Å; Y149-H251 HydrophobicContact CE2-CB 3.67Å; Y149-H251 HydrophobicContact CG-CB 4.14Å; Y149-H251 AromaticContact CG-CG 3.81Å
150K96.1Very high97.5Very high131 Ų13142.9 Ų42.957%0.5722%0.218SC*.Hα-helixtrans-57.6-49.6180-64.8-171.6178.9-169.70111.7E148 F152 R153 E154 E216E148-K150 PolarHBondContact O-N 2.92Å; K150-F152 VanDerWaalsContact C-N 3.33Å; K150-F152 PolarHBondContact O-N 3.14Å; K150-R153 PolarHBondContact O-N 3.2Å; K150-E154 WeakPolarHBondContact O-CB 3.17Å; K150-E154 PolarHBondContact O-N 2.77Å; K150-E216 WeakPolarHBondContact CE-OE1 3.46Å; K150-E216 WeakPolarHBondContact CE-OE2 3.28Å; K150-E216 IonicContact NZ-OE1 3.59Å
151S97.7Very high97.6Very high61 Ų6142.7 Ų42.743%0.42723%0.226SC..Hα-helixtrans-63.8-37.5177.2-54.50000112.3E148 Y149 N155E148-S151 PolarHBondContact O-N 3.25Å; Y149-S151 PolarHBondContact O-N 3.46Å; S151-N155 WeakPolarHBondContact O-CB 3.23Å; S151-N155 PolarHBondContact O-N 3.3Å
152F98.3Very high97.6Very high0 Ų043.3 Ų43.30%023%0.232CC..Hα-helixtrans-61.3-50.9174.1150.7-106.4000111P143 I145 E148 Y149 K150 N155 V156 Y178 F179 L247 C250P143-F152 HydrophobicContact CB-CB 4.07Å; I145-F152 HydrophobicContact CG2-CD2 3.82Å; I145-F152 HydrophobicContact CG2-CE1 4.49Å; I145-F152 HydrophobicContact CG2-CE2 3.8Å; I145-F152 HydrophobicContact CG2-CG 4.19Å; I145-F152 HydrophobicContact CG2-CZ 4.14Å; E148-F152 WeakPolarHBondContact O-CB 3.09Å; E148-F152 PolarHBondContact O-N 2.88Å; Y149-F152 AromaticContact CD2-CD1 3.88Å; Y149-F152 HydrophobicContact CD2-CD1 3.88Å; Y149-F152 HydrophobicContact CD2-CE1 4.35Å; Y149-F152 HydrophobicContact CE2-CD1 4.26Å; Y149-F152 HydrophobicContact CE2-CE1 4.34Å; Y149-F152 WeakPolarHBondContact O-CB 3.36Å; Y149-F152 PolarHBondContact O-N 3.11Å; Y149-F152 VanDerWaalsContact O-N 3.16Å; K150-F152 VanDerWaalsContact C-N 3.33Å; K150-F152 PolarHBondContact O-N 3.14Å; F152-N155 PolarHBondContact O-N 2.65Å; F152-V156 HydrophobicContact CD2-CG2 4.05Å; F152-V156 HydrophobicContact CE2-CG2 3.65Å; F152-V156 HydrophobicContact CZ-CG2 4.33Å; F152-V156 WeakPolarHBondContact O-CG2 3.08Å; F152-V156 PolarHBondContact O-N 3.33Å; F152-Y178 WeakPolarHBondContact CD2-O 3.46Å; F152-Y178 VanDerWaalsContact CE2-O 3.26Å; F152-Y178 WeakPolarHBondContact CE2-O 2.94Å; F152-F179 AromaticContact CE2-CD1 3.67Å; F152-F179 HydrophobicContact CE2-CD1 3.67Å; F152-F179 AromaticContact CE2-CE1 3.93Å; F152-F179 HydrophobicContact CE2-CE1 3.93Å; F152-F179 HydrophobicContact CE2-CG 4.33Å; F152-F179 AromaticContact CZ-CD1 3.88Å; F152-F179 HydrophobicContact CZ-CD1 3.88Å; F152-F179 AromaticContact CZ-CE1 3.89Å; F152-F179 HydrophobicContact CZ-CE1 3.89Å; F152-L247 HydrophobicContact CE1-CB 4.11Å; F152-L247 HydrophobicContact CE1-CD2 4.43Å; F152-L247 HydrophobicContact CZ-CB 4.35Å; F152-L247 HydrophobicContact CZ-CD2 3.86Å; F152-C250 HydrophobicContact CE1-CB 4.03Å; F152-C250 HydrophobicContact CZ-CB 3.73Å
153R97.8Very high97.6Very high6 Ų653 Ų532%0.02327%0.266CS..Hα-helixtrans-61-49-179-175.2176.4-17591.76.1110.8Y149 K150 N155 V156 L157 E210 L211 D245 L247Y149-R153 HydrophobicContact CE2-CB 4.47Å; Y149-R153 WeakPolarHBondContact O-CB 3.36Å; Y149-R153 PolarHBondContact O-N 2.92Å; Y149-R153 PolarHBondContact OH-NH1 3.29Å; K150-R153 PolarHBondContact O-N 3.2Å; R153-N155 PolarHBondContact O-N 3.22Å; R153-V156 PolarHBondContact O-N 3.01Å; R153-L157 HydrophobicContact CG-CD1 3.93Å; R153-L157 WeakPolarHBondContact O-CG 3.18Å; R153-L157 PolarHBondContact O-N 3.19Å; R153-E210 PolarHBondContact NE-O 3.13Å; R153-E210 PolarHBondContact NH2-O 2.95Å; R153-L211 VanDerWaalsContact CD-O 3.26Å; R153-L211 WeakPolarHBondContact CD-O 3.01Å; R153-L211 PolarHBondContact NE-O 3.22Å; R153-D245 IonicContact CZ-OD2 2.83Å; R153-D245 VanDerWaalsContact CZ-OD2 3.29Å; R153-D245 IonicContact NH1-OD1 3.06Å; R153-D245 PolarHBondContact NH1-OD1 3.16Å; R153-D245 VanDerWaalsContact NH1-OD1 3.08Å; R153-D245 IonicContact NH1-OD2 3.61Å; R153-D245 PolarHBondContact NH1-OD2 2.78Å; R153-D245 IonicContact NH2-OD2 3.63Å; R153-D245 PolarHBondContact NH2-OD2 2.83Å; R153-L247 HydrophobicContact CG-CD1 3.97Å
154E97.4Very high97.6Very high118 Ų11853 Ų5355%0.55127%0.268SS*.Hα-helixtrans-58.3-46.1175.5-176179.7-170.500111.7K150 V156 L157 S158 L211K150-E154 WeakPolarHBondContact O-CB 3.17Å; K150-E154 PolarHBondContact O-N 2.77Å; E154-V156 VanDerWaalsContact C-N 3.3Å; E154-V156 PolarHBondContact O-N 3.33Å; E154-L157 PolarHBondContact O-N 3.3Å; E154-S158 VanDerWaalsContact O-CB 3.25Å; E154-S158 WeakPolarHBondContact O-CB 3.31Å; E154-S158 PolarHBondContact O-N 2.89Å; E154-S158 PolarHBondContact O-OG 3.01Å; E154-L211 HydrophobicContact CB-CD2 4.37Å; E154-L211 HydrophobicContact CG-CD2 4.35Å
155N98.1Very high97.6Very high34 Ų3453 Ų5318%0.18227%0.268CS..Hα-helixtrans-59.8-38.1178.6176.867.9000112.5P143 S151 F152 R153 S158 H159 K177P143-N155 HydrophobicContact CG-CB 4.27Å; S151-N155 WeakPolarHBondContact O-CB 3.23Å; S151-N155 PolarHBondContact O-N 3.3Å; F152-N155 PolarHBondContact O-N 2.65Å; R153-N155 PolarHBondContact O-N 3.22Å; N155-S158 PolarHBondContact O-OG 3.41Å; N155-H159 PolarHBondContact O-ND1 3.15Å; N155-K177 PolarHBondContact ND2-O 3.24Å
156V98.3Very high97.6Very high0 Ų056.2 Ų56.20%029%0.285CS..Hα-helixtrans-71-52.2176.2175.60000111.1F152 R153 E154 S158 H159 L160 F165 F179 L206 L247F152-V156 HydrophobicContact CD2-CG2 4.05Å; F152-V156 HydrophobicContact CE2-CG2 3.65Å; F152-V156 HydrophobicContact CZ-CG2 4.33Å; F152-V156 WeakPolarHBondContact O-CG2 3.08Å; F152-V156 PolarHBondContact O-N 3.33Å; R153-V156 PolarHBondContact O-N 3.01Å; E154-V156 VanDerWaalsContact C-N 3.3Å; E154-V156 PolarHBondContact O-N 3.33Å; V156-S158 PolarHBondContact O-N 3.23Å; V156-H159 PolarHBondContact O-N 3.36Å; V156-H159 VanDerWaalsContact O-N 3.14Å; V156-L160 HydrophobicContact CG1-CD2 4.23Å; V156-L160 PolarHBondContact O-N 2.78Å; V156-F165 HydrophobicContact CG1-CE1 3.91Å; V156-F165 HydrophobicContact CG1-CZ 4.02Å; V156-F179 HydrophobicContact CG1-CZ 4.16Å; V156-F179 HydrophobicContact CG2-CE1 4.42Å; V156-F179 HydrophobicContact CG2-CE2 4.35Å; V156-F179 HydrophobicContact CG2-CZ 4.09Å; V156-L206 HydrophobicContact CG1-CD1 4.1Å; V156-L247 HydrophobicContact CB-CD1 4.33Å; V156-L247 HydrophobicContact CB-CD2 4.33Å; V156-L247 HydrophobicContact CG1-CD1 4.22Å; V156-L247 HydrophobicContact CG1-CD2 3.94Å; V156-L247 HydrophobicContact CG2-CD2 4.38Å
157L97.2Very high97.6Very high24 Ų2460.7 Ų60.713%0.12630%0.302CS..Hα-helixtrans-68-35.7-172.2-65.1179.9000112.6R153 E154 H159 L160 L209 E210 L211 L247R153-L157 HydrophobicContact CG-CD1 3.93Å; R153-L157 WeakPolarHBondContact O-CG 3.18Å; R153-L157 PolarHBondContact O-N 3.19Å; E154-L157 PolarHBondContact O-N 3.3Å; L157-H159 PolarHBondContact O-N 2.72Å; L157-L160 HydrophobicContact CD2-CD1 4.03Å; L157-L209 HydrophobicContact CD2-CB 3.96Å; L157-E210 WeakPolarHBondContact CD1-O 3.36Å; L157-L211 HydrophobicContact CB-CD2 3.96Å; L157-L211 HydrophobicContact CD1-CD2 3.98Å; L157-L211 HydrophobicContact CD1-CG 4.4Å; L157-L247 HydrophobicContact CD1-CD1 4.25Å; L157-L247 HydrophobicContact CD2-CD1 3.75Å; L157-L247 HydrophobicContact CG-CD1 3.84Å
158S97.1Very high97.7Very high71 Ų7156.2 Ų56.250%0.49728%0.282SS..THydrogen-bonded Turntrans-69.3-13.6175.357.40000114.2E154 N155 V156E154-S158 VanDerWaalsContact O-CB 3.25Å; E154-S158 WeakPolarHBondContact O-CB 3.31Å; E154-S158 PolarHBondContact O-N 2.89Å; E154-S158 PolarHBondContact O-OG 3.01Å; N155-S158 PolarHBondContact O-OG 3.41Å; V156-S158 PolarHBondContact O-N 3.23Å
159H97.7Very high97.7Very high75 Ų7553.3 Ų53.335%0.34727%0.269SS..THydrogen-bonded Turntrans-120.815.9-175.2-66.290.4000114.1N155 V156 L157 S161 D162 F165 Y178N155-H159 PolarHBondContact O-ND1 3.15Å; V156-H159 PolarHBondContact O-N 3.36Å; V156-H159 VanDerWaalsContact O-N 3.14Å; L157-H159 PolarHBondContact O-N 2.72Å; H159-S161 PolarHBondContact O-N 3.03Å; H159-D162 VanDerWaalsContact O-CB 3.25Å; H159-D162 WeakPolarHBondContact O-CB 3.39Å; H159-D162 PolarHBondContact O-N 3.16Å; H159-F165 HydrophobicContact CB-CE2 4.34Å; H159-F165 WeakPolarHBondContact O-CD2 3.43Å; H159-F165 WeakPolarHBondContact O-CE2 3.22Å; H159-Y178 HydrophobicContact CB-CE1 3.62Å
160L97Very high97.8Very high30 Ų3052.7 Ų52.716%0.15727%0.267CS..THydrogen-bonded Turntrans-58.9-20179.9-69.4178.7000114.1V156 L157 D162 F165 R203 L206V156-L160 HydrophobicContact CG1-CD2 4.23Å; V156-L160 PolarHBondContact O-N 2.78Å; L157-L160 HydrophobicContact CD2-CD1 4.03Å; L160-D162 VanDerWaalsContact C-N 3.29Å; L160-F165 HydrophobicContact CD2-CD1 3.98Å; L160-F165 HydrophobicContact CD2-CE1 4.07Å; L160-F165 HydrophobicContact CD2-CG 4.28Å; L160-F165 HydrophobicContact CD2-CZ 4.45Å; L160-R203 PolarHBondContact O-NE 3Å; L160-R203 PolarHBondContact O-NH2 2.71Å; L160-L206 HydrophobicContact CD2-CB 3.82Å; L160-L206 HydrophobicContact CD2-CD1 4.01Å
161S97.1Very high97.9Very high104 Ų10447 Ų4773%0.72724%0.242SC*.THydrogen-bonded Turntrans-75.6-11.8173.758.90000114.1H159H159-S161 PolarHBondContact O-N 3.03Å
162D98.1Very high98Very high53 Ų5344.2 Ų44.228%0.28322%0.222SC..SBendtrans-63.5140.4174.1-169.5-50.3000110H159 L160 A164 F165 K177 Y178 R203H159-D162 VanDerWaalsContact O-CB 3.25Å; H159-D162 WeakPolarHBondContact O-CB 3.39Å; H159-D162 PolarHBondContact O-N 3.16Å; L160-D162 VanDerWaalsContact C-N 3.29Å; D162-A164 PolarHBondContact O-N 3.02Å; D162-A164 VanDerWaalsContact O-N 3.12Å; D162-A164 WeakPolarHBondContact OD1-CB 3.17Å; D162-A164 PolarHBondContact OD1-N 2.99Å; D162-F165 HydrophobicContact CB-CD2 4.05Å; D162-F165 HydrophobicContact CB-CE2 4.29Å; D162-F165 PolarHBondContact O-N 3.23Å; D162-K177 IonicContact OD2-NZ 3.96Å; D162-K177 PolarHBondContact OD2-NZ 3.29Å; D162-Y178 WeakPolarHBondContact CB-OH 3.36Å; D162-Y178 VanDerWaalsContact CG-OH 3.24Å; D162-Y178 PolarHBondContact OD2-OH 3.32Å; D162-R203 PolarHBondContact O-NH2 3.26Å
163R97.7Very high98Very high210 Ų21044.2 Ų44.279%0.79222%0.222SC*.G310 helixtrans-61.5-19.7178.8-69.2-171.4178.1-173.1-0.5113.4F165 D166R163-F165 PolarHBondContact O-N 3.12Å; R163-D166 WeakPolarHBondContact CA-OD2 3.33Å; R163-D166 WeakPolarHBondContact O-CB 3.18Å; R163-D166 PolarHBondContact O-N 3.37Å; R163-D166 VanDerWaalsContact O-N 3.11Å
164A97.6Very high98.1Very high19 Ų1944.8 Ų44.816%0.15723%0.226CC..G310 helixtrans-53.1-35.2170.800000111.7D162 D166 R167 V172 Y178D162-A164 PolarHBondContact O-N 3.02Å; D162-A164 VanDerWaalsContact O-N 3.12Å; D162-A164 WeakPolarHBondContact OD1-CB 3.17Å; D162-A164 PolarHBondContact OD1-N 2.99Å; A164-D166 VanDerWaalsContact C-N 3.34Å; A164-R167 PolarHBondContact O-N 2.69Å; A164-V172 WeakPolarHBondContact O-CG2 3.32Å; A164-Y178 HydrophobicContact CB-CE2 3.89Å
165F98.6Very high98.1Very high0 Ų041.7 Ų41.70%021%0.213CC..G310 helixtrans-82.9-4.4-178.4-63.6-81.9000114.4V156 H159 L160 D162 R163 R167 V172 Y178 F179 A202 R203 L206V156-F165 HydrophobicContact CG1-CE1 3.91Å; V156-F165 HydrophobicContact CG1-CZ 4.02Å; H159-F165 HydrophobicContact CB-CE2 4.34Å; H159-F165 WeakPolarHBondContact O-CD2 3.43Å; H159-F165 WeakPolarHBondContact O-CE2 3.22Å; L160-F165 HydrophobicContact CD2-CD1 3.98Å; L160-F165 HydrophobicContact CD2-CE1 4.07Å; L160-F165 HydrophobicContact CD2-CG 4.28Å; L160-F165 HydrophobicContact CD2-CZ 4.45Å; D162-F165 HydrophobicContact CB-CD2 4.05Å; D162-F165 HydrophobicContact CB-CE2 4.29Å; D162-F165 PolarHBondContact O-N 3.23Å; R163-F165 PolarHBondContact O-N 3.12Å; F165-R167 PolarHBondContact O-N 3.28Å; F165-V172 HydrophobicContact CD1-CG1 3.69Å; F165-V172 HydrophobicContact CE1-CG1 3.75Å; F165-Y178 HydrophobicContact CE2-CD1 4.09Å; F165-Y178 HydrophobicContact CE2-CD2 4.09Å; F165-Y178 AromaticContact CE2-CE1 3.81Å; F165-Y178 HydrophobicContact CE2-CE1 3.81Å; F165-Y178 AromaticContact CE2-CE2 3.8Å; F165-Y178 HydrophobicContact CE2-CE2 3.8Å; F165-Y178 HydrophobicContact CE2-CG 4.23Å; F165-Y178 AromaticContact CE2-CZ 3.64Å; F165-Y178 AromaticContact CZ-CD1 3.72Å; F165-Y178 HydrophobicContact CZ-CD1 3.72Å; F165-Y178 AromaticContact CZ-CD2 3.86Å; F165-Y178 HydrophobicContact CZ-CD2 3.86Å; F165-Y178 AromaticContact CZ-CE1 3.93Å; F165-Y178 HydrophobicContact CZ-CE1 3.93Å; F165-Y178 HydrophobicContact CZ-CE2 4.06Å; F165-Y178 AromaticContact CZ-CG 3.68Å; F165-Y178 HydrophobicContact CZ-CG 3.68Å; F165-F179 HydrophobicContact CE1-CE2 4.28Å; F165-A202 HydrophobicContact CD1-CB 4.35Å; F165-A202 WeakPolarHBondContact O-CB 3.36Å; F165-A202 PolarHBondContact O-N 3.39Å; F165-R203 HydrophobicContact CB-CB 4.18Å; F165-R203 PolarHBondContact O-N 2.92Å; F165-L206 HydrophobicContact CD1-CD1 3.93Å; F165-L206 HydrophobicContact CE1-CD1 3.89Å
166D98.3Very high98.1Very high66 Ų6641.5 Ų41.535%0.35321%0.211SC..G310 helixtrans-77.7-7.2170.4-60.2-38.8000112R163 A164 R203 M308R163-D166 WeakPolarHBondContact CA-OD2 3.33Å; R163-D166 WeakPolarHBondContact O-CB 3.18Å; R163-D166 PolarHBondContact O-N 3.37Å; R163-D166 VanDerWaalsContact O-N 3.11Å; A164-D166 VanDerWaalsContact C-N 3.34Å; D166-R203 IonicContact OD1-CZ 3Å; D166-R203 IonicContact OD1-NH1 2.75Å; D166-R203 PolarHBondContact OD1-NH1 2.91Å; D166-R203 IonicContact OD1-NH2 2.77Å; D166-R203 PolarHBondContact OD1-NH2 2.73Å; D166-R203 IonicContact OD2-NH2 3.74Å; D166-M308 VanDerWaalsContact O-CE 3.29Å; D166-M308 WeakPolarHBondContact O-CE 3.29Å
167R98.4Very high98.1Very high101 Ų10145.6 Ų45.638%0.38123%0.229SC..SBendtrans-86.3164.1178.9-69.5-169.970.71615.5112.2A164 F165 I169 E171 V172 A202 N295A164-R167 PolarHBondContact O-N 2.69Å; F165-R167 PolarHBondContact O-N 3.28Å; R167-I169 PolarHBondContact O-N 2.85Å; R167-E171 IonicContact CZ-OE2 2.9Å; R167-E171 IonicContact NE-OE2 3Å; R167-E171 PolarHBondContact NE-OE2 3.36Å; R167-E171 IonicContact NH2-OE2 3.98Å; R167-E171 PolarHBondContact NH2-OE2 2.87Å; R167-V172 HydrophobicContact CB-CG2 3.82Å; R167-A202 VanDerWaalsContact O-CB 3.32Å; R167-A202 WeakPolarHBondContact O-CB 3.07Å; R167-A202 PolarHBondContact O-N 3.45Å; R167-N295 PolarHBondContact NH2-ND2 2.91Å; R167-N295 PolarHBondContact NH2-OD1 3.35Å
168P98.6Very high98.2Very high4 Ų444.4 Ų44.43%0.02622%0.223CC..BIsolated β-bridgetrans-49.3134.8171.1-32.539.7000113.4C170 E171 V172 F199 V200 M308P168-C170 PolarHBondContact O-N 3.21Å; P168-C170 VanDerWaalsContact O-N 3.15Å; P168-E171 HydrophobicContact CB-CB 4.45Å; P168-E171 HydrophobicContact CB-CG 4.16Å; P168-E171 WeakPolarHBondContact O-CA 3.25Å; P168-E171 WeakPolarHBondContact O-CB 2.89Å; P168-E171 PolarHBondContact O-N 3.03Å; P168-V172 PolarHBondContact O-N 2.85Å; P168-F199 HydrophobicContact CB-CB 4.49Å; P168-F199 HydrophobicContact CB-CD1 3.79Å; P168-F199 HydrophobicContact CG-CD1 3.93Å; P168-V200 CarbonylContact C-O 3.59Å; P168-V200 WeakPolarHBondContact CA-O 3.17Å; P168-M308 HydrophobicContact CG-CB 3.97Å; P168-M308 HydrophobicContact CG-CE 4.05Å; P168-M308 HydrophobicContact CG-SD 4.2Å
169I98.8Very high98.3Very high0 Ų041 Ų410%020%0.199CC..Hα-helixtrans-53.9-38.8-179.7-173.160.9000112.6R167 E171 V172 L173 L191 I196 P198 V200 A202 A205 L206R167-I169 PolarHBondContact O-N 2.85Å; I169-E171 PolarHBondContact O-N 2.88Å; I169-V172 PolarHBondContact O-N 3.19Å; I169-L173 HydrophobicContact CD1-CG 4.27Å; I169-L173 HydrophobicContact CG1-CD1 4.34Å; I169-L173 HydrophobicContact CG1-CG 4.3Å; I169-L173 WeakPolarHBondContact O-CB 3.35Å; I169-L173 VanDerWaalsContact O-CG 3.28Å; I169-L173 WeakPolarHBondContact O-CG 3.15Å; I169-L173 PolarHBondContact O-N 3.3Å; I169-L191 HydrophobicContact CG1-CD2 4.01Å; I169-L191 HydrophobicContact CG2-CD1 4.34Å; I169-L191 HydrophobicContact CG2-CD2 3.91Å; I169-I196 HydrophobicContact CG2-CG2 4.13Å; I169-P198 WeakPolarHBondContact CG2-O 3.36Å; I169-V200 HydrophobicContact CB-CG2 4.29Å; I169-V200 HydrophobicContact CG2-CG2 3.66Å; I169-V200 PolarHBondContact N-O 3.37Å; I169-A202 HydrophobicContact CB-CB 4.21Å; I169-A202 HydrophobicContact CD1-CB 3.77Å; I169-A205 HydrophobicContact CB-CB 4.44Å; I169-A205 HydrophobicContact CD1-CB 4.42Å; I169-A205 HydrophobicContact CG1-CB 4.31Å; I169-L206 HydrophobicContact CD1-CD1 4.19Å; I169-L206 HydrophobicContact CD1-CG 4.24Å
170C98.6Very high98.3Very high0 Ų037.5 Ų37.50%018%0.183CC..Hα-helixtrans-63.9-23.917869.30000113.9P168 R187 L191 P198 M299P168-C170 PolarHBondContact O-N 3.21Å; P168-C170 VanDerWaalsContact O-N 3.15Å; C170-R187 WeakPolarHBondContact O-CD 3.45Å; C170-R187 PolarHBondContact O-NH1 3.16Å; C170-L191 HydrophobicContact CB-CD1 3.77Å; C170-P198 HydrophobicContact CB-CB 3.7Å; C170-P198 VanDerWaalsContact CB-O 3.27Å; C170-P198 WeakPolarHBondContact CB-O 3.25Å; C170-P198 PolarHBondContact N-O 2.92Å; C170-P198 PolarHBondContact SG-O 3.21Å; C170-M299 HydrophobicContact CB-CE 4.43Å; C170-M299 HydrophobicContact CB-CG 4.01Å; C170-M299 HydrophobicContact CB-SD 3.56Å; C170-M299 VanDerWaalsContact CB-SD 3.56Å
171E98.6Very high98.4Very high10 Ų1036 Ų365%0.04718%0.175CC..Hα-helixtrans-87.3-40.2176.4-65.5175.4-174.700111.2R167 P168 I169 L173 L174 D293 H294R167-E171 IonicContact CZ-OE2 2.9Å; R167-E171 IonicContact NE-OE2 3Å; R167-E171 PolarHBondContact NE-OE2 3.36Å; R167-E171 IonicContact NH2-OE2 3.98Å; R167-E171 PolarHBondContact NH2-OE2 2.87Å; P168-E171 HydrophobicContact CB-CB 4.45Å; P168-E171 HydrophobicContact CB-CG 4.16Å; P168-E171 WeakPolarHBondContact O-CA 3.25Å; P168-E171 WeakPolarHBondContact O-CB 2.89Å; P168-E171 PolarHBondContact O-N 3.03Å; I169-E171 PolarHBondContact O-N 2.88Å; E171-L173 VanDerWaalsContact C-N 3.3Å; E171-L173 PolarHBondContact O-N 2.86Å; E171-L174 WeakPolarHBondContact O-CB 3.36Å; E171-L174 PolarHBondContact O-N 3.12Å; E171-D293 HydrophobicContact CG-CB 4Å; E171-H294 VanDerWaalsContact OE1-CB 3.31Å; E171-H294 WeakPolarHBondContact OE1-CB 3.28Å; E171-H294 IonicContact OE1-CE1 2.68Å; E171-H294 IonicContact OE1-CG 3.15Å; E171-H294 PolarHBondContact OE1-N 3.48Å; E171-H294 IonicContact OE1-ND1 2.86Å; E171-H294 PolarHBondContact OE1-ND1 2.64Å; E171-H294 IonicContact OE2-ND1 3.91Å
172V98.7Very high98.4Very high3 Ų331.1 Ų31.12%0.01814%0.141CC..Hα-helixtrans-63.9-37.7178179.70000111.2A164 F165 R167 P168 I169 L174 N175 F179 A202A164-V172 WeakPolarHBondContact O-CG2 3.32Å; F165-V172 HydrophobicContact CD1-CG1 3.69Å; F165-V172 HydrophobicContact CE1-CG1 3.75Å; R167-V172 HydrophobicContact CB-CG2 3.82Å; P168-V172 PolarHBondContact O-N 2.85Å; I169-V172 PolarHBondContact O-N 3.19Å; V172-L174 PolarHBondContact O-N 3.01Å; V172-L174 VanDerWaalsContact O-N 3.08Å; V172-N175 WeakPolarHBondContact O-CB 3.22Å; V172-N175 PolarHBondContact O-N 2.72Å; V172-F179 HydrophobicContact CG1-CD2 4.48Å; V172-F179 HydrophobicContact CG1-CE2 3.86Å; V172-F179 VanDerWaalsContact O-CD2 3.24Å; V172-F179 WeakPolarHBondContact O-CD2 3.18Å; V172-A202 HydrophobicContact CB-CB 3.72Å; V172-A202 HydrophobicContact CG1-CB 4.02Å; V172-A202 HydrophobicContact CG2-CB 3.46Å; V172-A202 VanDerWaalsContact CG2-CB 3.46Å
173L98.8Very high98.5Very high0 Ų028.6 Ų28.60%013%0.128CC..THydrogen-bonded Turntrans-57.5-22.2172.4-74.8177.3000113.4I169 E171 F179 I182 R187 L191 V246I169-L173 HydrophobicContact CD1-CG 4.27Å; I169-L173 HydrophobicContact CG1-CD1 4.34Å; I169-L173 HydrophobicContact CG1-CG 4.3Å; I169-L173 WeakPolarHBondContact O-CB 3.35Å; I169-L173 VanDerWaalsContact O-CG 3.28Å; I169-L173 WeakPolarHBondContact O-CG 3.15Å; I169-L173 PolarHBondContact O-N 3.3Å; E171-L173 VanDerWaalsContact C-N 3.3Å; E171-L173 PolarHBondContact O-N 2.86Å; L173-F179 HydrophobicContact CD2-CD1 3.64Å; L173-F179 HydrophobicContact CD2-CE1 3.52Å; L173-F179 HydrophobicContact CD2-CG 4.19Å; L173-F179 HydrophobicContact CD2-CZ 4.01Å; L173-F179 VanDerWaalsContact O-CB 3.28Å; L173-F179 WeakPolarHBondContact O-CB 3.37Å; L173-I182 HydrophobicContact CB-CG2 4.21Å; L173-I182 VanDerWaalsContact O-CB 3.24Å; L173-I182 WeakPolarHBondContact O-CB 3.23Å; L173-I182 WeakPolarHBondContact O-CG2 3.47Å; L173-R187 HydrophobicContact CB-CB 4.06Å; L173-R187 HydrophobicContact CD1-CB 3.99Å; L173-L191 HydrophobicContact CD1-CD1 3.94Å; L173-L191 HydrophobicContact CD1-CD2 3.9Å; L173-L191 HydrophobicContact CD1-CG 3.75Å; L173-V246 HydrophobicContact CD2-CG1 4.37Å
174L98.6Very high98.5Very high18 Ų1820.1 Ų20.19%0.09410%0.098CC..THydrogen-bonded Turntrans-87.6-8.6175.4-63.9178.7000113.6E171 V172 Q176 G183 R187E171-L174 WeakPolarHBondContact O-CB 3.36Å; E171-L174 PolarHBondContact O-N 3.12Å; V172-L174 PolarHBondContact O-N 3.01Å; V172-L174 VanDerWaalsContact O-N 3.08Å; L174-Q176 PolarHBondContact O-N 3Å; L174-Q176 PolarHBondContact O-NE2 3.1Å; L174-G183 VanDerWaalsContact CD2-O 3.29Å; L174-G183 WeakPolarHBondContact CD2-O 3.48Å; L174-R187 HydrophobicContact CD2-CG 4.46Å
175N98.4Very high98.5Very high54 Ų5419.8 Ų19.829%0.2899%0.092SC..  trans-75108.9-178.6-172.7-15.5000110.7V172 K177 Y178 F179V172-N175 WeakPolarHBondContact O-CB 3.22Å; V172-N175 PolarHBondContact O-N 2.72Å; N175-K177 PolarHBondContact O-N 2.86Å; N175-K177 VanDerWaalsContact OD1-CB 3.3Å; N175-K177 WeakPolarHBondContact OD1-CB 3.13Å; N175-K177 PolarHBondContact OD1-N 3.26Å; N175-K177 VanDerWaalsContact OD1-N 3.09Å; N175-Y178 HydrophobicContact CB-CD2 4.44Å; N175-Y178 PolarHBondContact O-N 3.41Å; N175-F179 PolarHBondContact O-N 3.03Å
176Q98.3Very high98.5Very high30 Ų3019.8 Ų19.814%0.149%0.092CC..THydrogen-bonded Turntrans-72.1-12.4-174.1-55.1-62-75.400113.9R141 G142 L174 Y178 F179 N180 I182R141-Q176 WeakPolarHBondContact CA-O 3.42Å; R141-Q176 HydrophobicContact CG-CB 4.2Å; R141-Q176 VanDerWaalsContact NH1-CG 3.33Å; G142-Q176 PolarHBondContact N-O 3.43Å; L174-Q176 PolarHBondContact O-N 3Å; L174-Q176 PolarHBondContact O-NE2 3.1Å; Q176-Y178 PolarHBondContact O-N 2.96Å; Q176-F179 PolarHBondContact NE2-O 2.91Å; Q176-N180 WeakPolarHBondContact O-CB 3.45Å; Q176-I182 PolarHBondContact NE2-O 3.44Å
177K98.4Very high98.5Very high85 Ų8516.6 Ų16.637%0.378%0.076SC..THydrogen-bonded Turntrans-62.8-30.6168.1-177-175.8172.4-165.20111.7D140 G142 N155 D162 N175D140-K177 VanDerWaalsContact O-CA 3.3Å; D140-K177 WeakPolarHBondContact O-CA 3.21Å; G142-K177 WeakPolarHBondContact CA-O 3.41Å; G142-K177 PolarHBondContact N-O 2.89Å; N155-K177 PolarHBondContact ND2-O 3.24Å; D162-K177 IonicContact OD2-NZ 3.96Å; D162-K177 PolarHBondContact OD2-NZ 3.29Å; N175-K177 PolarHBondContact O-N 2.86Å; N175-K177 VanDerWaalsContact OD1-CB 3.3Å; N175-K177 WeakPolarHBondContact OD1-CB 3.13Å; N175-K177 PolarHBondContact OD1-N 3.26Å; N175-K177 VanDerWaalsContact OD1-N 3.09Å
178Y98.6Very high98.5Very high0 Ų011.8 Ų11.80%06%0.057CC..THydrogen-bonded Turntrans-115-41.8-174.6-64.5-64.5000112.8F152 H159 D162 A164 F165 N175 Q176F152-Y178 WeakPolarHBondContact CD2-O 3.46Å; F152-Y178 VanDerWaalsContact CE2-O 3.26Å; F152-Y178 WeakPolarHBondContact CE2-O 2.94Å; H159-Y178 HydrophobicContact CB-CE1 3.62Å; D162-Y178 WeakPolarHBondContact CB-OH 3.36Å; D162-Y178 VanDerWaalsContact CG-OH 3.24Å; D162-Y178 PolarHBondContact OD2-OH 3.32Å; A164-Y178 HydrophobicContact CB-CE2 3.89Å; F165-Y178 HydrophobicContact CE2-CD1 4.09Å; F165-Y178 HydrophobicContact CE2-CD2 4.09Å; F165-Y178 AromaticContact CE2-CE1 3.81Å; F165-Y178 HydrophobicContact CE2-CE1 3.81Å; F165-Y178 AromaticContact CE2-CE2 3.8Å; F165-Y178 HydrophobicContact CE2-CE2 3.8Å; F165-Y178 HydrophobicContact CE2-CG 4.23Å; F165-Y178 AromaticContact CE2-CZ 3.64Å; F165-Y178 AromaticContact CZ-CD1 3.72Å; F165-Y178 HydrophobicContact CZ-CD1 3.72Å; F165-Y178 AromaticContact CZ-CD2 3.86Å; F165-Y178 HydrophobicContact CZ-CD2 3.86Å; F165-Y178 AromaticContact CZ-CE1 3.93Å; F165-Y178 HydrophobicContact CZ-CE1 3.93Å; F165-Y178 HydrophobicContact CZ-CE2 4.06Å; F165-Y178 AromaticContact CZ-CG 3.68Å; F165-Y178 HydrophobicContact CZ-CG 3.68Å; N175-Y178 HydrophobicContact CB-CD2 4.44Å; N175-Y178 PolarHBondContact O-N 3.41Å; Q176-Y178 PolarHBondContact O-N 2.96Å
179F98.8Very high98.5Very high0 Ų011.6 Ų11.60%06%0.056CC..SBendtrans-117.153.8-173.5-63.2-89.3000111.1F152 V156 F165 V172 L173 N175 Q176 G181 I182 L206 L247 C250F152-F179 AromaticContact CE2-CD1 3.67Å; F152-F179 HydrophobicContact CE2-CD1 3.67Å; F152-F179 AromaticContact CE2-CE1 3.93Å; F152-F179 HydrophobicContact CE2-CE1 3.93Å; F152-F179 HydrophobicContact CE2-CG 4.33Å; F152-F179 AromaticContact CZ-CD1 3.88Å; F152-F179 HydrophobicContact CZ-CD1 3.88Å; F152-F179 AromaticContact CZ-CE1 3.89Å; F152-F179 HydrophobicContact CZ-CE1 3.89Å; V156-F179 HydrophobicContact CG1-CZ 4.16Å; V156-F179 HydrophobicContact CG2-CE1 4.42Å; V156-F179 HydrophobicContact CG2-CE2 4.35Å; V156-F179 HydrophobicContact CG2-CZ 4.09Å; F165-F179 HydrophobicContact CE1-CE2 4.28Å; V172-F179 HydrophobicContact CG1-CD2 4.48Å; V172-F179 HydrophobicContact CG1-CE2 3.86Å; V172-F179 VanDerWaalsContact O-CD2 3.24Å; V172-F179 WeakPolarHBondContact O-CD2 3.18Å; L173-F179 HydrophobicContact CD2-CD1 3.64Å; L173-F179 HydrophobicContact CD2-CE1 3.52Å; L173-F179 HydrophobicContact CD2-CG 4.19Å; L173-F179 HydrophobicContact CD2-CZ 4.01Å; L173-F179 VanDerWaalsContact O-CB 3.28Å; L173-F179 WeakPolarHBondContact O-CB 3.37Å; N175-F179 PolarHBondContact O-N 3.03Å; Q176-F179 PolarHBondContact NE2-O 2.91Å; F179-G181 PolarHBondContact O-N 3.41Å; F179-I182 HydrophobicContact CB-CB 4.05Å; F179-I182 HydrophobicContact CB-CG1 3.88Å; F179-I182 HydrophobicContact CD1-CG1 4.43Å; F179-I182 PolarHBondContact O-N 3.15Å; F179-L206 HydrophobicContact CZ-CD1 4.32Å; F179-L247 HydrophobicContact CE1-CD2 3.72Å; F179-L247 HydrophobicContact CZ-CD2 4.01Å; F179-C250 HydrophobicContact CD1-CB 4.49Å
180N98.8Very high98.5Very high0 Ų011.6 Ų11.60%06%0.056CC..BIsolated β-bridgetrans-64.3107.7-176.3-173.318.8000111.2G53 K54 R141 G142 I145 Q176G53-N180 WeakPolarHBondContact CA-O 3.48Å; G53-N180 WeakPolarHBondContact CA-OD1 3.41Å; K54-N180 PolarHBondContact N-OD1 2.88Å; R141-N180 PolarHBondContact NH1-OD1 3.24Å; R141-N180 VanDerWaalsContact NH1-OD1 3.09Å; G142-N180 VanDerWaalsContact O-CB 3.25Å; G142-N180 WeakPolarHBondContact O-CB 3.44Å; G142-N180 PolarHBondContact O-ND2 3.05Å; I145-N180 PolarHBondContact N-O 2.76Å; Q176-N180 WeakPolarHBondContact O-CB 3.45Å
181G98.3Very high98.5Very high0 Ų011.8 Ų11.80%06%0.057CC..THydrogen-bonded Turntrans124.7-30.7-173.100000113.1G4 K54 F179G4-G181 PolarHBondContact N-O 3.43Å; K54-G181 WeakPolarHBondContact CE-O 3.49Å; F179-G181 PolarHBondContact O-N 3.41Å
182I98.6Very high98.5Very high0 Ų014 Ų140%07%0.065CC..  trans-74.1133.8-179.6-60.8-63000110.5K54 I145 L173 Q176 F179 L186 R187 I190 C250 P254K54-I182 VanDerWaalsContact CE-C 3.4Å; K54-I182 WeakPolarHBondContact CE-O 3.43Å; K54-I182 VanDerWaalsContact NZ-C 3.35Å; K54-I182 PolarHBondContact NZ-O 3.36Å; I145-I182 HydrophobicContact CD1-CD1 3.33Å; I145-I182 HydrophobicContact CD1-CG1 3.63Å; I145-I182 HydrophobicContact CG2-CG1 4.35Å; L173-I182 HydrophobicContact CB-CG2 4.21Å; L173-I182 VanDerWaalsContact O-CB 3.24Å; L173-I182 WeakPolarHBondContact O-CB 3.23Å; L173-I182 WeakPolarHBondContact O-CG2 3.47Å; Q176-I182 PolarHBondContact NE2-O 3.44Å; F179-I182 HydrophobicContact CB-CB 4.05Å; F179-I182 HydrophobicContact CB-CG1 3.88Å; F179-I182 HydrophobicContact CD1-CG1 4.43Å; F179-I182 PolarHBondContact O-N 3.15Å; I182-L186 HydrophobicContact CD1-CB 3.96Å; I182-L186 HydrophobicContact CD1-CD1 4.06Å; I182-L186 HydrophobicContact CG2-CB 4.17Å; I182-R187 HydrophobicContact CG2-CB 4.24Å; I182-I190 HydrophobicContact CD1-CD1 3.49Å; I182-I190 VanDerWaalsContact CD1-CD1 3.49Å; I182-C250 HydrophobicContact CD1-CB 4.26Å; I182-P254 HydrophobicContact CD1-CG 4.41Å
183G98.3Very high98.4Very high1 Ų115.6 Ų15.61%0.017%0.071CC..  trans-127.6-148.916700000113E3 L174 R187E3-G183 VanDerWaalsContact CD-C 3.42Å; E3-G183 VanDerWaalsContact OE1-CA 3.31Å; E3-G183 WeakPolarHBondContact OE1-CA 3.08Å; E3-G183 WeakPolarHBondContact OE2-CA 3.47Å; E3-G183 PolarHBondContact OE2-N 2.59Å; L174-G183 VanDerWaalsContact CD2-O 3.29Å; L174-G183 WeakPolarHBondContact CD2-O 3.48Å; G183-R187 WeakPolarHBondContact O-CB 3.34Å; G183-R187 WeakPolarHBondContact O-CG 3.45Å; G183-R187 PolarHBondContact O-N 2.79Å; G183-R187 VanDerWaalsContact O-N 3.13Å
184N98.3Very high98.3Very high31 Ų3117.4 Ų17.417%0.1668%0.081CC..Hα-helixtrans-78.7-37.3-164.4-153.944000112.8E3 R187 Y283 T298 W300E3-N184 PolarHBondContact OE1-N 3.47Å; N184-R187 VanDerWaalsContact O-CG 3.3Å; N184-R187 WeakPolarHBondContact O-CG 3.49Å; N184-R187 PolarHBondContact OD1-NE 2.91Å; N184-R187 PolarHBondContact OD1-NH2 2.84Å; N184-Y283 HydrophobicContact CB-CE2 4.31Å; N184-T298 PolarHBondContact ND2-O 3.43Å; N184-T298 PolarHBondContact OD1-O 3.48Å; N184-T298 VanDerWaalsContact OD1-O 3.1Å; N184-W300 WeakPolarHBondContact ND2-CZ3 3.06Å
185Y98.1Very high98.2Very high12 Ų1222.3 Ų22.35%0.04711%0.107CC..Hα-helixtrans-77.3-42.6175.876.6-105.3000110.1E3 E6 R187 A188 E189 V257 F276 W279E3-Y185 HydrophobicContact CB-CE1 3.78Å; E3-Y185 HydrophobicContact CG-CD1 3.86Å; E3-Y185 HydrophobicContact CG-CE1 3.43Å; E3-Y185 VanDerWaalsContact CG-CE1 3.43Å; E3-Y185 WeakPolarHBondContact OE1-CD1 3.45Å; E3-Y185 WeakPolarHBondContact OE1-CE1 3.34Å; E3-Y185 PolarHBondContact OE1-N 3.11Å; E6-Y185 WeakPolarHBondContact OE1-CE1 3.37Å; E6-Y185 PolarHBondContact OE1-OH 2.75Å; E6-Y185 PolarHBondContact OE2-OH 3.1Å; Y185-R187 PolarHBondContact O-N 2.94Å; Y185-A188 PolarHBondContact O-N 3.42Å; Y185-A188 VanDerWaalsContact O-N 3.12Å; Y185-E189 WeakPolarHBondContact O-CG 3.11Å; Y185-E189 PolarHBondContact O-N 2.96Å; Y185-V257 HydrophobicContact CE2-CG2 4.27Å; Y185-F276 HydrophobicContact CD1-CZ 4.26Å; Y185-F276 HydrophobicContact CD2-CE2 4.32Å; Y185-F276 AromaticContact CD2-CZ 3.97Å; Y185-F276 HydrophobicContact CD2-CZ 3.97Å; Y185-F276 HydrophobicContact CE1-CZ 4.26Å; Y185-F276 AromaticContact CE2-CE2 3.96Å; Y185-F276 HydrophobicContact CE2-CE2 3.96Å; Y185-F276 AromaticContact CE2-CZ 3.98Å; Y185-F276 HydrophobicContact CE2-CZ 3.98Å; Y185-F276 HydrophobicContact CG-CZ 4.14Å; Y185-W279 HydrophobicContact CD2-CZ3 4.22Å; Y185-W279 HydrophobicContact CE2-CH2 4.48Å; Y185-W279 HydrophobicContact CE2-CZ3 4.25Å
186L98.6Very high98.1Very high0 Ų021.4 Ų21.40%010%0.102CC..Hα-helixtrans-61-43-180-72.5171.2000112E3 P5 I182 A188 E189 I190 V253 P254 W279E3-L186 HydrophobicContact CB-CD1 3.96Å; E3-L186 WeakPolarHBondContact OE2-CB 3.35Å; E3-L186 VanDerWaalsContact OE2-CD1 3.23Å; E3-L186 WeakPolarHBondContact OE2-CD1 3.33Å; E3-L186 WeakPolarHBondContact OE2-CG 3.43Å; E3-L186 PolarHBondContact OE2-N 3.1Å; P5-L186 HydrophobicContact CG-CD1 4.45Å; I182-L186 HydrophobicContact CD1-CB 3.96Å; I182-L186 HydrophobicContact CD1-CD1 4.06Å; I182-L186 HydrophobicContact CG2-CB 4.17Å; L186-A188 VanDerWaalsContact C-N 3.25Å; L186-A188 PolarHBondContact O-N 2.93Å; L186-E189 PolarHBondContact O-N 2.81Å; L186-I190 HydrophobicContact CB-CD1 4.23Å; L186-I190 WeakPolarHBondContact O-CB 3.37Å; L186-I190 VanDerWaalsContact O-CD1 3.32Å; L186-I190 WeakPolarHBondContact O-CD1 3.41Å; L186-I190 WeakPolarHBondContact O-CG1 3.38Å; L186-I190 PolarHBondContact O-N 2.92Å; L186-V253 HydrophobicContact CD2-CG1 4.05Å; L186-P254 HydrophobicContact CD1-CB 4.21Å; L186-P254 HydrophobicContact CD1-CG 3.91Å; L186-P254 HydrophobicContact CD2-CB 4.24Å; L186-P254 HydrophobicContact CD2-CG 3.92Å; L186-W279 HydrophobicContact CD2-CH2 4.42Å
187R98.6Very high98.1Very high0 Ų021.8 Ų21.80%011%0.107CC..Hα-helixtrans-60-36.4177.871.1171.9178.6169.33112.8C170 L173 L174 I182 G183 N184 Y185 L191 D293 T298 M299C170-R187 WeakPolarHBondContact O-CD 3.45Å; C170-R187 PolarHBondContact O-NH1 3.16Å; L173-R187 HydrophobicContact CB-CB 4.06Å; L173-R187 HydrophobicContact CD1-CB 3.99Å; L174-R187 HydrophobicContact CD2-CG 4.46Å; I182-R187 HydrophobicContact CG2-CB 4.24Å; G183-R187 WeakPolarHBondContact O-CB 3.34Å; G183-R187 WeakPolarHBondContact O-CG 3.45Å; G183-R187 PolarHBondContact O-N 2.79Å; G183-R187 VanDerWaalsContact O-N 3.13Å; N184-R187 VanDerWaalsContact O-CG 3.3Å; N184-R187 WeakPolarHBondContact O-CG 3.49Å; N184-R187 PolarHBondContact OD1-NE 2.91Å; N184-R187 PolarHBondContact OD1-NH2 2.84Å; Y185-R187 PolarHBondContact O-N 2.94Å; R187-L191 WeakPolarHBondContact O-CB 3.38Å; R187-L191 VanDerWaalsContact O-CG 3.23Å; R187-L191 WeakPolarHBondContact O-CG 3.36Å; R187-L191 PolarHBondContact O-N 3.36Å; R187-L191 VanDerWaalsContact O-N 3.15Å; R187-D293 IonicContact CZ-OD2 3.78Å; R187-D293 IonicContact NH1-OD2 3.33Å; R187-D293 PolarHBondContact NH1-OD2 3.42Å; R187-D293 IonicContact NH2-OD2 3.82Å; R187-D293 PolarHBondContact NH2-OD2 2.81Å; R187-T298 PolarHBondContact NH2-O 3.11Å; R187-M299 VanDerWaalsContact CD-SD 3.56Å; R187-M299 HydrophobicContact CG-CE 4.2Å; R187-M299 HydrophobicContact CG-SD 3.83Å; R187-M299 PolarHBondContact NE-SD 3Å
188A98.5Very high98.1Very high0 Ų017.8 Ų17.80%09%0.09CC..Hα-helixtrans-69.6-46.3178.700000110.9Y185 L186 Y192 C282 Y283 M299 W300Y185-A188 PolarHBondContact O-N 3.42Å; Y185-A188 VanDerWaalsContact O-N 3.12Å; L186-A188 VanDerWaalsContact C-N 3.25Å; L186-A188 PolarHBondContact O-N 2.93Å; A188-Y192 WeakPolarHBondContact O-CB 3.48Å; A188-Y192 PolarHBondContact O-N 3.26Å; A188-C282 HydrophobicContact CB-CB 4.49Å; A188-Y283 HydrophobicContact CB-CD2 4.15Å; A188-M299 VanDerWaalsContact CA-CE 3.43Å; A188-M299 HydrophobicContact CB-CE 3.83Å; A188-W300 HydrophobicContact CB-CB 4.14Å
189E98.4Very high98.1Very high0 Ų017.8 Ų17.80%09%0.09CC..Hα-helixtrans-64.3-38.9179.4-72.6-53.8128.800113.2Y185 L186 R193 V253 W279 L280 R281 C282 Y283Y185-E189 WeakPolarHBondContact O-CG 3.11Å; Y185-E189 PolarHBondContact O-N 2.96Å; L186-E189 PolarHBondContact O-N 2.81Å; E189-R193 VanDerWaalsContact CB-NH1 3.35Å; E189-R193 VanDerWaalsContact O-CG 3.28Å; E189-R193 WeakPolarHBondContact O-CG 3.21Å; E189-R193 PolarHBondContact O-N 3.33Å; E189-R193 PolarHBondContact O-NH1 3.1Å; E189-R193 IonicContact OE2-CZ 2.81Å; E189-R193 IonicContact OE2-NH1 3.89Å; E189-R193 PolarHBondContact OE2-NH1 2.84Å; E189-V253 HydrophobicContact CB-CG1 4.19Å; E189-W279 HydrophobicContact CB-CH2 4.16Å; E189-W279 HydrophobicContact CG-CH2 3.91Å; E189-W279 HydrophobicContact CG-CZ3 3.82Å; E189-L280 HydrophobicContact CG-CD2 4.15Å; E189-R281 PolarHBondContact OE1-N 2.9Å; E189-R281 PolarHBondContact OE2-N 3.45Å; E189-R281 VanDerWaalsContact OE2-N 3.12Å; E189-C282 WeakPolarHBondContact OE1-CA 3.42Å; E189-C282 WeakPolarHBondContact OE1-CB 3.39Å; E189-C282 PolarHBondContact OE1-N 3.42Å; E189-Y283 PolarHBondContact OE1-N 2.78Å
190I98.5Very high98.1Very high0 Ų019.3 Ų19.30%010%0.099CC..Hα-helixtrans-70.2-52.4178.6-70160.9000110.9I182 L186 Y192 R193 L194 V246 L249 C250 V253I182-I190 HydrophobicContact CD1-CD1 3.49Å; I182-I190 VanDerWaalsContact CD1-CD1 3.49Å; L186-I190 HydrophobicContact CB-CD1 4.23Å; L186-I190 WeakPolarHBondContact O-CB 3.37Å; L186-I190 VanDerWaalsContact O-CD1 3.32Å; L186-I190 WeakPolarHBondContact O-CD1 3.41Å; L186-I190 WeakPolarHBondContact O-CG1 3.38Å; L186-I190 PolarHBondContact O-N 2.92Å; I190-Y192 VanDerWaalsContact C-N 3.27Å; I190-Y192 PolarHBondContact O-N 2.86Å; I190-R193 PolarHBondContact O-N 2.89Å; I190-L194 PolarHBondContact O-N 3.26Å; I190-V246 HydrophobicContact CG2-CG1 4.39Å; I190-L249 HydrophobicContact CG1-CB 4.41Å; I190-L249 HydrophobicContact CG2-CB 3.98Å; I190-C250 HydrophobicContact CD1-CB 4.43Å; I190-V253 HydrophobicContact CG1-CB 4.06Å; I190-V253 HydrophobicContact CG1-CG1 4.21Å; I190-V253 HydrophobicContact CG1-CG2 4.08Å
191L98.4Very high98.1Very high4 Ų420.3 Ų20.32%0.02111%0.105CC..Hα-helixtrans-64.3-36.3-178.4-68.5174.5000111.6I169 C170 L173 R187 L194 N195 I196 P198 M299I169-L191 HydrophobicContact CG1-CD2 4.01Å; I169-L191 HydrophobicContact CG2-CD1 4.34Å; I169-L191 HydrophobicContact CG2-CD2 3.91Å; C170-L191 HydrophobicContact CB-CD1 3.77Å; L173-L191 HydrophobicContact CD1-CD1 3.94Å; L173-L191 HydrophobicContact CD1-CD2 3.9Å; L173-L191 HydrophobicContact CD1-CG 3.75Å; R187-L191 WeakPolarHBondContact O-CB 3.38Å; R187-L191 VanDerWaalsContact O-CG 3.23Å; R187-L191 WeakPolarHBondContact O-CG 3.36Å; R187-L191 PolarHBondContact O-N 3.36Å; R187-L191 VanDerWaalsContact O-N 3.15Å; L191-L194 PolarHBondContact O-N 2.88Å; L191-N195 PolarHBondContact O-N 2.83Å; L191-N195 VanDerWaalsContact O-N 3.08Å; L191-I196 HydrophobicContact CD2-CB 3.93Å; L191-I196 HydrophobicContact CD2-CG2 3.84Å; L191-I196 PolarHBondContact O-N 3.37Å; L191-P198 HydrophobicContact CD1-CB 4.08Å; L191-M299 HydrophobicContact CD1-CE 3.93Å
192Y98Very high98.1Very high55 Ų5520.3 Ų20.322%0.21611%0.105CC..Hα-helixtrans-62.3-47.1175.5178.6-100.8000112.8A188 I190 L194 N195 R281 C282 M288 K302A188-Y192 WeakPolarHBondContact O-CB 3.48Å; A188-Y192 PolarHBondContact O-N 3.26Å; I190-Y192 VanDerWaalsContact C-N 3.27Å; I190-Y192 PolarHBondContact O-N 2.86Å; Y192-L194 PolarHBondContact O-N 3.1Å; Y192-L194 VanDerWaalsContact O-N 3.16Å; Y192-N195 PolarHBondContact O-N 2.91Å; Y192-R281 HydrophobicContact CD1-CB 3.79Å; Y192-R281 HydrophobicContact CE1-CB 3.56Å; Y192-C282 HydrophobicContact CD1-CB 4.15Å; Y192-C282 HydrophobicContact CD2-CB 3.94Å; Y192-C282 HydrophobicContact CG-CB 3.62Å; Y192-M288 HydrophobicContact CD2-CE 4.18Å; Y192-M288 HydrophobicContact CD2-SD 4.4Å; Y192-M288 HydrophobicContact CE2-CE 3.36Å; Y192-M288 HydrophobicContact CE2-SD 3.98Å; Y192-K302 HydrophobicContact CD2-CB 4.06Å; Y192-K302 HydrophobicContact CE2-CB 3.84Å; Y192-K302 HydrophobicContact CE2-CD 3.87Å
193R97.4Very high98Very high37 Ų3723.6 Ų23.614%0.1412%0.118CC..Hα-helixtrans-57.6-30.7179.5-78.9169.5176.269.1-7.4112.7E189 I190 L249 E256 W279E189-R193 VanDerWaalsContact CB-NH1 3.35Å; E189-R193 VanDerWaalsContact O-CG 3.28Å; E189-R193 WeakPolarHBondContact O-CG 3.21Å; E189-R193 PolarHBondContact O-N 3.33Å; E189-R193 PolarHBondContact O-NH1 3.1Å; E189-R193 IonicContact OE2-CZ 2.81Å; E189-R193 IonicContact OE2-NH1 3.89Å; E189-R193 PolarHBondContact OE2-NH1 2.84Å; I190-R193 PolarHBondContact O-N 2.89Å; R193-L249 HydrophobicContact CB-CD1 3.59Å; R193-E256 IonicContact CZ-OE2 2.92Å; R193-E256 IonicContact NE-OE1 3.84Å; R193-E256 IonicContact NE-OE2 2.74Å; R193-E256 IonicContact NH2-OE2 3.29Å; R193-E256 PolarHBondContact NH2-OE2 3.08Å; R193-W279 VanDerWaalsContact NH2-CE2 3.35Å
194L96.1Very high98Very high38 Ų3828.8 Ų28.820%0.19915%0.145CC..THydrogen-bonded Turntrans-98.3-0.8179.2-63.1172000114.1I190 L191 Y192 I196 A243 G244 V246 L249I190-L194 PolarHBondContact O-N 3.26Å; L191-L194 PolarHBondContact O-N 2.88Å; Y192-L194 PolarHBondContact O-N 3.1Å; Y192-L194 VanDerWaalsContact O-N 3.16Å; L194-I196 HydrophobicContact CB-CD1 3.68Å; L194-I196 HydrophobicContact CB-CG1 3.75Å; L194-I196 HydrophobicContact CD1-CD1 3.85Å; L194-I196 HydrophobicContact CG-CD1 4.42Å; L194-I196 PolarHBondContact O-N 3.28Å; L194-A243 HydrophobicContact CD2-CB 3.91Å; L194-G244 WeakPolarHBondContact CD2-O 3.36Å; L194-V246 HydrophobicContact CD1-CB 4.15Å; L194-V246 HydrophobicContact CD1-CG2 3.58Å; L194-L249 HydrophobicContact CD1-CD1 3.79Å; L194-L249 HydrophobicContact CD1-CG 4.37Å; L194-L249 HydrophobicContact CD2-CD1 3.82Å; L194-L249 HydrophobicContact CG-CD1 3.5Å; L194-L249 HydrophobicContact CG-CG 4.47Å
195N96.3Very high97.9Very high122 Ų12228.5 Ų28.565%0.65215%0.148SC*.THydrogen-bonded Turntrans50.639.6-172-59.6-72.3000112.8L191 Y192L191-N195 PolarHBondContact O-N 2.83Å; L191-N195 VanDerWaalsContact O-N 3.08Å; Y192-N195 PolarHBondContact O-N 2.91Å
196I97.3Very high97.8Very high35 Ų3528 Ų2818%0.17915%0.145CC..  trans-88.2123.7177.6-66.3171.3000108.7I169 L191 L194 V200 V246I169-I196 HydrophobicContact CG2-CG2 4.13Å; L191-I196 HydrophobicContact CD2-CB 3.93Å; L191-I196 HydrophobicContact CD2-CG2 3.84Å; L191-I196 PolarHBondContact O-N 3.37Å; L194-I196 HydrophobicContact CB-CD1 3.68Å; L194-I196 HydrophobicContact CB-CG1 3.75Å; L194-I196 HydrophobicContact CD1-CD1 3.85Å; L194-I196 HydrophobicContact CG-CD1 4.42Å; L194-I196 PolarHBondContact O-N 3.28Å; I196-V200 HydrophobicContact CG2-CG2 3.88Å; I196-V246 HydrophobicContact CD1-CG2 3.3Å
197P98.1Very high97.5Very high38 Ų3834.5 Ų34.525%0.24718%0.176CC..  trans-59.5129.2173.6-21.432.2000110.4F199 V200 D304P197-F199 PolarHBondContact O-N 3.15Å; P197-F199 VanDerWaalsContact O-N 3.09Å; P197-V200 HydrophobicContact CB-CG1 3.98Å; P197-V200 HydrophobicContact CG-CG1 4.19Å; P197-V200 WeakPolarHBondContact O-CG2 2.97Å; P197-V200 PolarHBondContact O-N 3.13Å; P197-D304 WeakPolarHBondContact CB-O 3.43Å
198P98.3Very high97Very high1 Ų138 Ų381%0.00621%0.212CC..THydrogen-bonded Turntrans-63.9-20.9-170.422.8-34.1000114.9I169 C170 L191 M299 F301 P305I169-P198 WeakPolarHBondContact CG2-O 3.36Å; C170-P198 HydrophobicContact CB-CB 3.7Å; C170-P198 VanDerWaalsContact CB-O 3.27Å; C170-P198 WeakPolarHBondContact CB-O 3.25Å; C170-P198 PolarHBondContact N-O 2.92Å; C170-P198 PolarHBondContact SG-O 3.21Å; L191-P198 HydrophobicContact CD1-CB 4.08Å; P198-M299 HydrophobicContact CB-CE 4.25Å; P198-M299 HydrophobicContact CB-CG 3.71Å; P198-M299 HydrophobicContact CB-SD 4.38Å; P198-M299 HydrophobicContact CG-CG 4.19Å; P198-F301 HydrophobicContact CG-CB 3.77Å; P198-F301 HydrophobicContact CG-CD1 3.89Å; P198-F301 HydrophobicContact CG-CD2 4.09Å; P198-F301 HydrophobicContact CG-CG 3.64Å; P198-P305 WeakPolarHBondContact CD-O 3.31Å
199F98.5Very high96.7Very high0 Ų040.2 Ų40.20%022%0.224CC..THydrogen-bonded Turntrans-111.334.5-178.5-56.4-87.4000113.7P168 P197 V291 D293 M299 P305 P307 M308 A309 P310P168-F199 HydrophobicContact CB-CB 4.49Å; P168-F199 HydrophobicContact CB-CD1 3.79Å; P168-F199 HydrophobicContact CG-CD1 3.93Å; P197-F199 PolarHBondContact O-N 3.15Å; P197-F199 VanDerWaalsContact O-N 3.09Å; F199-V291 HydrophobicContact CD2-CG1 4.5Å; F199-V291 HydrophobicContact CE2-CG1 3.34Å; F199-V291 HydrophobicContact CZ-CG1 3.64Å; F199-D293 HydrophobicContact CE1-CB 4.18Å; F199-D293 HydrophobicContact CZ-CB 4.35Å; F199-M299 HydrophobicContact CZ-CB 4.49Å; F199-P305 WeakPolarHBondContact CA-O 3.24Å; F199-P305 VanDerWaalsContact CB-O 3.3Å; F199-P305 WeakPolarHBondContact CB-O 3.13Å; F199-P305 HydrophobicContact CD2-CB 4.05Å; F199-P305 WeakPolarHBondContact CD2-O 3.22Å; F199-P305 PolarHBondContact N-O 2.84Å; F199-P307 WeakPolarHBondContact O-CD 3.25Å; F199-M308 HydrophobicContact CB-CB 4.18Å; F199-M308 WeakPolarHBondContact O-CA 3.23Å; F199-M308 VanDerWaalsContact O-CB 3.23Å; F199-M308 WeakPolarHBondContact O-CB 3.5Å; F199-M308 WeakPolarHBondContact O-CG 3.44Å; F199-M308 PolarHBondContact O-N 3.45Å; F199-A309 HydrophobicContact CB-CB 3.93Å; F199-A309 HydrophobicContact CD2-CB 3.79Å; F199-A309 HydrophobicContact CG-CB 3.89Å; F199-P310 HydrophobicContact CE1-CG 4.09Å; F199-P310 HydrophobicContact CZ-CG 4.15Å
200V98.3Very high96.2Very high32 Ų3246 Ų4619%0.19425%0.251CS..SBendtrans-79.6156157.1-59.20000110.7P168 I169 I196 P197 A202 A205P168-V200 CarbonylContact C-O 3.59Å; P168-V200 WeakPolarHBondContact CA-O 3.17Å; I169-V200 HydrophobicContact CB-CG2 4.29Å; I169-V200 HydrophobicContact CG2-CG2 3.66Å; I169-V200 PolarHBondContact N-O 3.37Å; I196-V200 HydrophobicContact CG2-CG2 3.88Å; P197-V200 HydrophobicContact CB-CG1 3.98Å; P197-V200 HydrophobicContact CG-CG1 4.19Å; P197-V200 WeakPolarHBondContact O-CG2 2.97Å; P197-V200 PolarHBondContact O-N 3.13Å; V200-A202 PolarHBondContact O-N 3.28Å; V200-A205 HydrophobicContact CG2-CB 3.94Å
201C98.5Very high95.6Very high20 Ų2051.3 Ų51.314%0.13528%0.279CS..BIsolated β-bridgetrans-57131.5170.6176.40000110D204 A205 M308C201-D204 HydrophobicContact CB-CB 4.1Å; C201-D204 WeakPolarHBondContact CB-OD2 3.23Å; C201-D204 PolarHBondContact O-N 3.02Å; C201-D204 PolarHBondContact SG-OD1 3.02Å; C201-A205 PolarHBondContact O-N 3.08Å; C201-A205 VanDerWaalsContact O-N 3.14Å; C201-M308 HydrophobicContact CB-SD 4.13Å
202A98.4Very high94.8Very high0 Ų059 Ų590%031%0.314CS..Hα-helixtrans-66.3-38.2-178.300000112.5F165 R167 I169 V172 V200 A205 L206F165-A202 HydrophobicContact CD1-CB 4.35Å; F165-A202 WeakPolarHBondContact O-CB 3.36Å; F165-A202 PolarHBondContact O-N 3.39Å; R167-A202 VanDerWaalsContact O-CB 3.32Å; R167-A202 WeakPolarHBondContact O-CB 3.07Å; R167-A202 PolarHBondContact O-N 3.45Å; I169-A202 HydrophobicContact CB-CB 4.21Å; I169-A202 HydrophobicContact CD1-CB 3.77Å; V172-A202 HydrophobicContact CB-CB 3.72Å; V172-A202 HydrophobicContact CG1-CB 4.02Å; V172-A202 HydrophobicContact CG2-CB 3.46Å; V172-A202 VanDerWaalsContact CG2-CB 3.46Å; V200-A202 PolarHBondContact O-N 3.28Å; A202-A205 PolarHBondContact O-N 3.49Å; A202-L206 WeakPolarHBondContact O-CB 3.36Å; A202-L206 VanDerWaalsContact O-CG 3.24Å; A202-L206 WeakPolarHBondContact O-CG 3.4Å; A202-L206 PolarHBondContact O-N 3.09Å; A202-L206 VanDerWaalsContact O-N 3.13Å
203R98Very high94Very high69 Ų6956.9 Ų56.926%0.2631%0.307SS..Hα-helixtrans-56.8-52174.9-174.1180-66.3136.69.5110.2L160 D162 F165 D166 A205 L206 E207L160-R203 PolarHBondContact O-NE 3Å; L160-R203 PolarHBondContact O-NH2 2.71Å; D162-R203 PolarHBondContact O-NH2 3.26Å; F165-R203 HydrophobicContact CB-CB 4.18Å; F165-R203 PolarHBondContact O-N 2.92Å; D166-R203 IonicContact OD1-CZ 3Å; D166-R203 IonicContact OD1-NH1 2.75Å; D166-R203 PolarHBondContact OD1-NH1 2.91Å; D166-R203 IonicContact OD1-NH2 2.77Å; D166-R203 PolarHBondContact OD1-NH2 2.73Å; D166-R203 IonicContact OD2-NH2 3.74Å; R203-A205 PolarHBondContact O-N 2.95Å; R203-L206 CarbonylContact O-C 3.54Å; R203-L206 PolarHBondContact O-N 2.81Å; R203-E207 VanDerWaalsContact O-CB 3.31Å; R203-E207 WeakPolarHBondContact O-CB 3.48Å; R203-E207 PolarHBondContact O-N 3.35Å
204D96.8Very high92.4Very high110 Ų11062.3 Ų62.359%0.58833%0.334SS*.Hα-helixtrans-61.5-33.5-179.2-53.5-0.6000112.4C201 L206C201-D204 HydrophobicContact CB-CB 4.1Å; C201-D204 WeakPolarHBondContact CB-OD2 3.23Å; C201-D204 PolarHBondContact O-N 3.02Å; C201-D204 PolarHBondContact SG-OD1 3.02Å; D204-L206 VanDerWaalsContact C-N 3.32Å
205A96.1Very high90.9Very high26 Ų2665.4 Ų65.422%0.21535%0.346CS..Hα-helixtrans-74.6-20.417800000113.8I169 V200 C201 A202 R203I169-A205 HydrophobicContact CB-CB 4.44Å; I169-A205 HydrophobicContact CD1-CB 4.42Å; I169-A205 HydrophobicContact CG1-CB 4.31Å; V200-A205 HydrophobicContact CG2-CB 3.94Å; C201-A205 PolarHBondContact O-N 3.08Å; C201-A205 VanDerWaalsContact O-N 3.14Å; A202-A205 PolarHBondContact O-N 3.49Å; R203-A205 PolarHBondContact O-N 2.95Å
206L96.2Very high89.2Confident0 Ų063.6 Ų63.60%033%0.333CS..Hα-helixtrans-112.9-12.8-175.3-62.7173.5000113V156 L160 F165 I169 F179 A202 R203 D204 L209 V246 L247V156-L206 HydrophobicContact CG1-CD1 4.1Å; L160-L206 HydrophobicContact CD2-CB 3.82Å; L160-L206 HydrophobicContact CD2-CD1 4.01Å; F165-L206 HydrophobicContact CD1-CD1 3.93Å; F165-L206 HydrophobicContact CE1-CD1 3.89Å; I169-L206 HydrophobicContact CD1-CD1 4.19Å; I169-L206 HydrophobicContact CD1-CG 4.24Å; F179-L206 HydrophobicContact CZ-CD1 4.32Å; A202-L206 WeakPolarHBondContact O-CB 3.36Å; A202-L206 VanDerWaalsContact O-CG 3.24Å; A202-L206 WeakPolarHBondContact O-CG 3.4Å; A202-L206 PolarHBondContact O-N 3.09Å; A202-L206 VanDerWaalsContact O-N 3.13Å; R203-L206 CarbonylContact O-C 3.54Å; R203-L206 PolarHBondContact O-N 2.81Å; D204-L206 VanDerWaalsContact C-N 3.32Å; L206-L209 HydrophobicContact CD2-CD1 3.98Å; L206-L209 WeakPolarHBondContact O-CB 3.15Å; L206-L209 VanDerWaalsContact O-CG 3.28Å; L206-L209 WeakPolarHBondContact O-CG 3.3Å; L206-L209 PolarHBondContact O-N 3.31Å; L206-V246 HydrophobicContact CD2-CB 3.94Å; L206-V246 HydrophobicContact CD2-CG1 4.04Å; L206-V246 HydrophobicContact CD2-CG2 4.47Å; L206-L247 HydrophobicContact CD2-CD2 3.89Å; L206-L247 HydrophobicContact CD2-CG 4.21Å
207E91.9Very high86.9Confident138 Ų13866.9 Ų66.965%0.64535%0.351SS*.THydrogen-bonded Turntrans-66.7139.1179.2-172168.9-138.900111R203 L209R203-E207 VanDerWaalsContact O-CB 3.31Å; R203-E207 WeakPolarHBondContact O-CB 3.48Å; R203-E207 PolarHBondContact O-N 3.35Å; E207-L209 VanDerWaalsContact C-N 3.31Å; E207-L209 PolarHBondContact O-N 2.86Å
208G89.3Confident84.4Confident74 Ų7469.1 Ų69.176%0.76338%0.381SS*.THydrogen-bonded Turntrans805.3-17800000115
209L91.4Very high81.4Confident45 Ų4577 Ų7724%0.23642%0.415CS..  trans-75.2136.5167.3-61.3-175.2000110.6L157 L206 E207 D245 L247L157-L209 HydrophobicContact CD2-CB 3.96Å; L206-L209 HydrophobicContact CD2-CD1 3.98Å; L206-L209 WeakPolarHBondContact O-CB 3.15Å; L206-L209 VanDerWaalsContact O-CG 3.28Å; L206-L209 WeakPolarHBondContact O-CG 3.3Å; L206-L209 PolarHBondContact O-N 3.31Å; E207-L209 VanDerWaalsContact C-N 3.31Å; E207-L209 PolarHBondContact O-N 2.86Å; L209-D245 HydrophobicContact CD1-CB 4.15Å; L209-D245 HydrophobicContact CD2-CB 3.55Å; L209-D245 HydrophobicContact CG-CB 4.49Å; L209-L247 HydrophobicContact CD1-CD1 4.14Å; L209-L247 HydrophobicContact CD1-CG 4Å
210E88.5Confident78.2Confident123 Ų12382.5 Ų82.558%0.57545%0.451SS*.  trans-84.6153.1-178.5-63.3-176.1168.200111.8R153 L157R153-E210 PolarHBondContact NE-O 3.13Å; R153-E210 PolarHBondContact NH2-O 2.95Å; L157-E210 WeakPolarHBondContact CD1-O 3.36Å
211L85Confident75.4Confident111 Ų11186.7 Ų86.758%0.58148%0.476SS*.SBendtrans-66.4-40.5178.3-78.8167.8000112.1R153 E154 L157R153-L211 VanDerWaalsContact CD-O 3.26Å; R153-L211 WeakPolarHBondContact CD-O 3.01Å; R153-L211 PolarHBondContact NE-O 3.22Å; E154-L211 HydrophobicContact CB-CD2 4.37Å; E154-L211 HydrophobicContact CG-CD2 4.35Å; L157-L211 HydrophobicContact CB-CD2 3.96Å; L157-L211 HydrophobicContact CD1-CD2 3.98Å; L157-L211 HydrophobicContact CD1-CG 4.4Å
212E83.2Confident72.3Confident164 Ų16493.8 Ų93.877%0.76651%0.505SS*.SBendtrans-81.6131.6175.3-66.8179.9-177.300109.5
213D79.4Confident69.3Low11 Ų11100.8 Ų100.86%0.05954%0.542CS..  trans-91.6102.3169.9-177.5-1.3000108Y149 F215 E216 R248Y149-D213 HydrophobicContact CE1-CB 4.01Å; Y149-D213 PolarHBondContact OH-OD2 2.8Å; D213-F215 PolarHBondContact O-N 3.41Å; D213-F215 WeakPolarHBondContact OD1-CB 3.44Å; D213-F215 PolarHBondContact OD1-N 3.28Å; D213-F215 VanDerWaalsContact OD1-N 3.16Å; D213-E216 HydrophobicContact CB-CB 4.19Å; D213-E216 WeakPolarHBondContact O-CB 3.29Å; D213-E216 PolarHBondContact O-N 3.36Å; D213-R248 IonicContact OD1-NH1 2.79Å; D213-R248 PolarHBondContact OD1-NH1 3.44Å; D213-R248 WeakPolarHBondContact OD2-CD 3.26Å; D213-R248 IonicContact OD2-CZ 2.65Å; D213-R248 IonicContact OD2-NH1 3.79Å; D213-R248 PolarHBondContact OD2-NH1 3.22Å
214E65.1Low66.1Low151 Ų151104.4 Ų104.471%0.70656%0.562SS**THydrogen-bonded Turntrans-54.8-18.1-179.7-64.8-170.3145.900113.5
215F64Low63.1Low104 Ų104106.4 Ų106.446%0.45657%0.571SS.*THydrogen-bonded Turntrans-97.33.4179.6-60.6-92000113.8D213 R241 R248D213-F215 PolarHBondContact O-N 3.41Å; D213-F215 WeakPolarHBondContact OD1-CB 3.44Å; D213-F215 PolarHBondContact OD1-N 3.28Å; D213-F215 VanDerWaalsContact OD1-N 3.16Å; F215-R241 WeakPolarHBondContact CE1-O 3Å; F215-R241 WeakPolarHBondContact CZ-O 3.24Å; F215-R248 VanDerWaalsContact C-NH1 3.25Å; F215-R248 PolarHBondContact O-NH1 2.91Å; F215-R248 VanDerWaalsContact O-NH1 3.1Å; F215-R248 PolarHBondContact O-NH2 3.34Å; F215-R248 VanDerWaalsContact O-NH2 3.1Å
216E61.8Low59.9Low83 Ų83110.9 Ų110.939%0.38860%0.596SS.*THydrogen-bonded Turntrans-82.1-38173.9-166.7179.8179.800111.1K150 D213K150-E216 WeakPolarHBondContact CE-OE1 3.46Å; K150-E216 WeakPolarHBondContact CE-OE2 3.28Å; K150-E216 IonicContact NZ-OE1 3.59Å; D213-E216 HydrophobicContact CB-CB 4.19Å; D213-E216 WeakPolarHBondContact O-CB 3.29Å; D213-E216 PolarHBondContact O-N 3.36Å
217D48Very low57.1Low105 Ų105117.8 Ų117.856%0.56163%0.633SS**SBendtrans-89.6108.8171.8-70.3-27.9000108.6K219D217-K219 PolarHBondContact O-N 3.37Å
218G45.6Very low54.1Low84 Ų84117.4 Ų117.487%0.86664%0.64SS**  trans-63.254.1175.600000114.7P220G218-P220 WeakPolarHBondContact O-CD 3.11Å
219K34.6Very low51.5Low167 Ų167123.1 Ų123.173%0.72664%0.644SS**  trans-68.5120.7167.3-75.5-179.2-177.5166.10107.1D217 V221D217-K219 PolarHBondContact O-N 3.37Å; K219-V221 PolarHBondContact O-N 2.92Å; K219-V221 VanDerWaalsContact O-N 3.14Å
220P32.6Very low48.5Very low115 Ų115127.2 Ų127.275%0.74767%0.671SS**  trans-59.4124.3170.125.2-30000106.9G218 K222G218-P220 WeakPolarHBondContact O-CD 3.11Å; P220-K222 PolarHBondContact O-N 2.92Å
221V37.9Very low46.2Very low121 Ų121127.1 Ų127.173%0.73368%0.681SS**  trans-59.1107.8169.4-178.40000105.6K219 D223K219-V221 PolarHBondContact O-N 2.92Å; K219-V221 VanDerWaalsContact O-N 3.14Å; V221-D223 PolarHBondContact O-N 3.14Å; V221-D223 VanDerWaalsContact O-N 3.11Å
222K33.8Very low43.7Very low169 Ų169130.8 Ų130.874%0.73570%0.695SS**  trans-61.9113.3162.2-80.1-176.5172.5-1760105.6P220 E224P220-K222 PolarHBondContact O-N 2.92Å; K222-E224 HydrophobicContact CB-CG 4.44Å; K222-E224 PolarHBondContact O-N 3.29Å
223D36.5Very low41.3Very low146 Ų146134.1 Ų134.178%0.78170%0.701SS**  trans-6479.5163.4-77.1-39.1000108.5V221 I225V221-D223 PolarHBondContact O-N 3.14Å; V221-D223 VanDerWaalsContact O-N 3.11Å; D223-I225 VanDerWaalsContact C-N 3.33Å; D223-I225 PolarHBondContact O-N 2.74Å
224E29.6Very low39.1Very low146 Ų146137.1 Ų137.168%0.68273%0.727SS**  trans-85.388.3160.9-72.4-167.5-17100107.7K222 T226K222-E224 HydrophobicContact CB-CG 4.44Å; K222-E224 PolarHBondContact O-N 3.29Å; E224-T226 VanDerWaalsContact C-N 3.33Å; E224-T226 PolarHBondContact O-N 2.92Å
225I34.8Very low37.5Very low152 Ų152139.7 Ų139.778%0.77974%0.736SS**  trans-59.498.3162.5-60.5168.2000106.8D223D223-I225 VanDerWaalsContact C-N 3.33Å; D223-I225 PolarHBondContact O-N 2.74Å
226T28.8Very low36Very low119 Ų119143.7 Ų143.773%0.7375%0.753SS**  trans-109105.9158.7420000108.4E224 T228E224-T226 VanDerWaalsContact C-N 3.33Å; E224-T226 PolarHBondContact O-N 2.92Å; T226-T228 PolarHBondContact O-N 3.08Å
227D36.4Very low34.8Very low146 Ų146147.1 Ų147.178%0.78177%0.766SS**  trans-72.997.6-177.4-158.1-2000109.3
228T29.6Very low33.9Very low129 Ų129144.6 Ų144.679%0.79177%0.766SS**  trans-14896.4162.627.90000112.6T226T226-T228 PolarHBondContact O-N 3.08Å
229K35.3Very low33.4Very low195 Ų195148.9 Ų148.985%0.84877%0.765SS**  trans-4.5116154.8-61.9173.8179.9175.90118.3
230T29Very low33.7Very low130 Ų130148.8 Ų148.880%0.79877%0.765SS**  trans-164.7124130.8-4.70000110.7
231P39.9Very low34.3Very low121 Ų121151.3 Ų151.379%0.78676%0.76SS**  trans-111.666.2-160.741.3-32.1000114.4
232E31.9Very low34.9Very low189 Ų189154.9 Ų154.988%0.88377%0.768SS**SBendtrans-140.9-22.2166.8-73-165160.300115.7
233R33.3Very low36.1Very low234 Ų234148.5 Ų148.588%0.88375%0.747SS**SBendtrans-93.9-10.9178.8-80-180172.4-175.2-2.8115.3
234A33.2Very low38.3Very low73 Ų73142.3 Ų142.360%0.60372%0.717SS**Hα-helixtrans-74.1-27.8-170.800000114.6K236 K237A234-K236 VanDerWaalsContact C-N 3.34Å; A234-K236 PolarHBondContact O-N 3.21Å; A234-K237 PolarHBondContact O-N 2.85Å
235K30.2Very low41.3Very low206 Ų206137 Ų13790%0.89669%0.694SS**Hα-helixtrans-70.4-23.3-175.6-77.7-175.7175.7178.40114.5
236K32.6Very low44.2Very low188 Ų188130 Ų13082%0.81766%0.658SS**Hα-helixtrans-86.7-19.2175-85.9-175176.6179.20114A234A234-K236 VanDerWaalsContact C-N 3.34Å; A234-K236 PolarHBondContact O-N 3.21Å
237K36.5Very low47.5Very low154 Ų154124.3 Ų124.367%0.6762%0.623SS**Hα-helixtrans-84.8-26.8-175.5-138.9178.7-176.5-174.60112.6A234A234-K237 PolarHBondContact O-N 2.85Å
238G29.7Very low50.3Low53 Ų53120 Ų12055%0.54660%0.596SS.*THydrogen-bonded Turntrans-72-35.9-178.300000115.1
239M35.3Very low53.5Low173 Ų173114.5 Ų114.585%0.85256%0.562SS**THydrogen-bonded Turntrans-86.1-19-176.7-132.8163.687.600113.7
240K40.3Very low56.5Low166 Ų166105.2 Ų105.272%0.72252%0.521SS*.SBendtrans-80.7-15.4174.1-94-171.4171.6-168.90113.5E242K240-E242 PolarHBondContact O-N 2.68Å
241R45.3Very low59.8Low168 Ų168100.8 Ų100.863%0.63449%0.492SS*.THydrogen-bonded Turntrans-72.5-22.7-169.5-103.9179.8170.5-177.6-4.6114.6F215F215-R241 WeakPolarHBondContact CE1-O 3Å; F215-R241 WeakPolarHBondContact CZ-O 3.24Å
242E50.8Low62.5Low195 Ų19596.8 Ų96.891%0.91147%0.465SS*.THydrogen-bonded Turntrans-95.6-26.4179.7-73.4-175.5159.800114.1K240K240-E242 PolarHBondContact O-N 2.68Å
243A58.8Low65.6Low35 Ų3587.8 Ų87.829%0.28942%0.423SS..THydrogen-bonded Turntrans-88.8-9.4-172.200000114.7L194 L249L194-A243 HydrophobicContact CD2-CB 3.91Å; A243-L249 WeakPolarHBondContact O-CD2 3.47Å; A243-L249 WeakPolarHBondContact O-CG 3.36Å
244G82.4Confident68.6Low16 Ų1676.6 Ų76.617%0.16538%0.381CS..  trans67.3-172.2-174.700000113.8L194L194-G244 WeakPolarHBondContact CD2-O 3.36Å
245D93Very high71.6Confident34 Ų3475.4 Ų75.418%0.18236%0.364CS..  trans-94.1176.2171.869.148.2000113R153 L209 L247 R248 L249R153-D245 IonicContact CZ-OD2 2.83Å; R153-D245 VanDerWaalsContact CZ-OD2 3.29Å; R153-D245 IonicContact NH1-OD1 3.06Å; R153-D245 PolarHBondContact NH1-OD1 3.16Å; R153-D245 VanDerWaalsContact NH1-OD1 3.08Å; R153-D245 IonicContact NH1-OD2 3.61Å; R153-D245 PolarHBondContact NH1-OD2 2.78Å; R153-D245 IonicContact NH2-OD2 3.63Å; R153-D245 PolarHBondContact NH2-OD2 2.83Å; L209-D245 HydrophobicContact CD1-CB 4.15Å; L209-D245 HydrophobicContact CD2-CB 3.55Å; L209-D245 HydrophobicContact CG-CB 4.49Å; D245-L247 VanDerWaalsContact C-N 3.3Å; D245-L247 PolarHBondContact O-N 3.06Å; D245-L247 WeakPolarHBondContact OD1-CA 3.42Å; D245-L247 WeakPolarHBondContact OD1-CB 3.36Å; D245-L247 PolarHBondContact OD1-N 3.25Å; D245-R248 PolarHBondContact O-N 3.43Å; D245-R248 PolarHBondContact OD1-N 2.82Å; D245-L249 PolarHBondContact O-N 3.19Å
246V96.3Very high74.6Confident5 Ų568.6 Ų68.63%0.0334%0.335CS..Hα-helixtrans-57.6-41.5-178.5-179.90000112.1L173 I190 L194 I196 L206 L249 C250L173-V246 HydrophobicContact CD2-CG1 4.37Å; I190-V246 HydrophobicContact CG2-CG1 4.39Å; L194-V246 HydrophobicContact CD1-CB 4.15Å; L194-V246 HydrophobicContact CD1-CG2 3.58Å; I196-V246 HydrophobicContact CD1-CG2 3.3Å; L206-V246 HydrophobicContact CD2-CB 3.94Å; L206-V246 HydrophobicContact CD2-CG1 4.04Å; L206-V246 HydrophobicContact CD2-CG2 4.47Å; V246-L249 PolarHBondContact O-N 2.87Å; V246-C250 PolarHBondContact O-N 2.94Å; V246-C250 PolarHBondContact O-SG 2.92Å
247L97.2Very high77.5Confident0 Ų059.9 Ų59.90%030%0.298CS..Hα-helixtrans-73.3-37.4-176.7-57.7-176.5000110.7F152 R153 V156 L157 F179 L206 L209 D245 C250 H251F152-L247 HydrophobicContact CE1-CB 4.11Å; F152-L247 HydrophobicContact CE1-CD2 4.43Å; F152-L247 HydrophobicContact CZ-CB 4.35Å; F152-L247 HydrophobicContact CZ-CD2 3.86Å; R153-L247 HydrophobicContact CG-CD1 3.97Å; V156-L247 HydrophobicContact CB-CD1 4.33Å; V156-L247 HydrophobicContact CB-CD2 4.33Å; V156-L247 HydrophobicContact CG1-CD1 4.22Å; V156-L247 HydrophobicContact CG1-CD2 3.94Å; V156-L247 HydrophobicContact CG2-CD2 4.38Å; L157-L247 HydrophobicContact CD1-CD1 4.25Å; L157-L247 HydrophobicContact CD2-CD1 3.75Å; L157-L247 HydrophobicContact CG-CD1 3.84Å; F179-L247 HydrophobicContact CE1-CD2 3.72Å; F179-L247 HydrophobicContact CZ-CD2 4.01Å; L206-L247 HydrophobicContact CD2-CD2 3.89Å; L206-L247 HydrophobicContact CD2-CG 4.21Å; L209-L247 HydrophobicContact CD1-CD1 4.14Å; L209-L247 HydrophobicContact CD1-CG 4Å; D245-L247 VanDerWaalsContact C-N 3.3Å; D245-L247 PolarHBondContact O-N 3.06Å; D245-L247 WeakPolarHBondContact OD1-CA 3.42Å; D245-L247 WeakPolarHBondContact OD1-CB 3.36Å; D245-L247 PolarHBondContact OD1-N 3.25Å; L247-C250 WeakPolarHBondContact O-CB 3.25Å; L247-C250 PolarHBondContact O-N 2.85Å; L247-H251 PolarHBondContact O-N 3.44Å
248R95.9Very high80.2Confident56 Ų5653.7 Ų53.721%0.21127%0.273CS..Hα-helixtrans-60.1-46.3171.3-176.4174.3176.193.7-6.4111.3D213 F215 D245 C250 H251 T252D213-R248 IonicContact OD1-NH1 2.79Å; D213-R248 PolarHBondContact OD1-NH1 3.44Å; D213-R248 WeakPolarHBondContact OD2-CD 3.26Å; D213-R248 IonicContact OD2-CZ 2.65Å; D213-R248 IonicContact OD2-NH1 3.79Å; D213-R248 PolarHBondContact OD2-NH1 3.22Å; F215-R248 VanDerWaalsContact C-NH1 3.25Å; F215-R248 PolarHBondContact O-NH1 2.91Å; F215-R248 VanDerWaalsContact O-NH1 3.1Å; F215-R248 PolarHBondContact O-NH2 3.34Å; F215-R248 VanDerWaalsContact O-NH2 3.1Å; D245-R248 PolarHBondContact O-N 3.43Å; D245-R248 PolarHBondContact OD1-N 2.82Å; R248-C250 VanDerWaalsContact C-N 3.3Å; R248-C250 PolarHBondContact O-N 2.79Å; R248-H251 WeakPolarHBondContact O-CA 3.26Å; R248-H251 WeakPolarHBondContact O-CB 3.44Å; R248-H251 PolarHBondContact O-N 2.97Å; R248-T252 HydrophobicContact CG-CG2 4.17Å; R248-T252 PolarHBondContact O-N 3.05Å; R248-T252 PolarHBondContact O-OG1 3.09Å
249L96.9Very high83.1Confident13 Ų1355.3 Ų55.37%0.06828%0.276CS..Hα-helixtrans-67.7-29176.6-69.8-164.9000113.4I190 R193 L194 A243 D245 V246 H251 V253I190-L249 HydrophobicContact CG1-CB 4.41Å; I190-L249 HydrophobicContact CG2-CB 3.98Å; R193-L249 HydrophobicContact CB-CD1 3.59Å; L194-L249 HydrophobicContact CD1-CD1 3.79Å; L194-L249 HydrophobicContact CD1-CG 4.37Å; L194-L249 HydrophobicContact CD2-CD1 3.82Å; L194-L249 HydrophobicContact CG-CD1 3.5Å; L194-L249 HydrophobicContact CG-CG 4.47Å; A243-L249 WeakPolarHBondContact O-CD2 3.47Å; A243-L249 WeakPolarHBondContact O-CG 3.36Å; D245-L249 PolarHBondContact O-N 3.19Å; V246-L249 PolarHBondContact O-N 2.87Å; L249-H251 PolarHBondContact O-N 2.74Å; L249-V253 HydrophobicContact CB-CG2 3.95Å; L249-V253 HydrophobicContact CD2-CG2 4.05Å; L249-V253 HydrophobicContact CG-CG2 4.43Å; L249-V253 VanDerWaalsContact O-CB 3.22Å; L249-V253 WeakPolarHBondContact O-CB 3.35Å; L249-V253 VanDerWaalsContact O-CG2 3.25Å; L249-V253 WeakPolarHBondContact O-CG2 3.32Å; L249-V253 PolarHBondContact O-N 2.88Å; L249-V253 VanDerWaalsContact O-N 3.1Å
250C98.2Very high85.5Confident0 Ų050.2 Ų50.20%025%0.251CS..Hα-helixtrans-60.6-24.5169-68.50000112.5I145 F152 F179 I182 I190 V246 L247 R248 P254I145-C250 WeakPolarHBondContact CB-O 3.43Å; I145-C250 WeakPolarHBondContact CD1-O 3.45Å; F152-C250 HydrophobicContact CE1-CB 4.03Å; F152-C250 HydrophobicContact CZ-CB 3.73Å; F179-C250 HydrophobicContact CD1-CB 4.49Å; I182-C250 HydrophobicContact CD1-CB 4.26Å; I190-C250 HydrophobicContact CD1-CB 4.43Å; V246-C250 PolarHBondContact O-N 2.94Å; V246-C250 PolarHBondContact O-SG 2.92Å; L247-C250 WeakPolarHBondContact O-CB 3.25Å; L247-C250 PolarHBondContact O-N 2.85Å; R248-C250 VanDerWaalsContact C-N 3.3Å; R248-C250 PolarHBondContact O-N 2.79Å; C250-P254 WeakPolarHBondContact O-CD 3.37Å; C250-P254 VanDerWaalsContact O-CG 3.23Å; C250-P254 WeakPolarHBondContact O-CG 3.39Å
251H97.3Very high86.9Confident38 Ų3843.9 Ų43.918%0.17623%0.227CC..Hα-helixtrans-91.1-48.4176.3171.665.7000113I145 M146 Y149 L247 R248 L249 P254 L255I145-H251 WeakPolarHBondContact O-CA 3.42Å; I145-H251 WeakPolarHBondContact O-CB 3.35Å; I145-H251 PolarHBondContact O-ND1 2.9Å; M146-H251 PolarHBondContact O-CE1 3.09Å; M146-H251 PolarHBondContact O-ND1 2.84Å; Y149-H251 HydrophobicContact CD2-CB 3.39Å; Y149-H251 AromaticContact CD2-CG 3.59Å; Y149-H251 HydrophobicContact CE2-CB 3.67Å; Y149-H251 HydrophobicContact CG-CB 4.14Å; Y149-H251 AromaticContact CG-CG 3.81Å; L247-H251 PolarHBondContact O-N 3.44Å; R248-H251 WeakPolarHBondContact O-CA 3.26Å; R248-H251 WeakPolarHBondContact O-CB 3.44Å; R248-H251 PolarHBondContact O-N 2.97Å; L249-H251 PolarHBondContact O-N 2.74Å; H251-P254 WeakPolarHBondContact O-CD 3.27Å; H251-L255 VanDerWaalsContact CE1-CD1 3.5Å; H251-L255 WeakPolarHBondContact CE1-CD1 3.41Å; H251-L255 WeakPolarHBondContact O-CG 3.46Å
252T96.4Very high87.3Confident36 Ų3638.5 Ų38.522%0.22122%0.223CC..Hα-helixtrans-79.5-39.6-171.158.70000113.4R248 L255 E256R248-T252 HydrophobicContact CG-CG2 4.17Å; R248-T252 PolarHBondContact O-N 3.05Å; R248-T252 PolarHBondContact O-OG1 3.09Å; T252-L255 WeakPolarHBondContact O-CB 3.45Å; T252-L255 PolarHBondContact O-N 3.31Å; T252-E256 PolarHBondContact O-N 3.45Å
253V97Very high87.5Confident0 Ų032.8 Ų32.80%022%0.217CC..Hα-helixtrans-60.5-44.1-177.9176.80000112.1L186 E189 I190 L249 L255 E256 V257 W279L186-V253 HydrophobicContact CD2-CG1 4.05Å; E189-V253 HydrophobicContact CB-CG1 4.19Å; I190-V253 HydrophobicContact CG1-CB 4.06Å; I190-V253 HydrophobicContact CG1-CG1 4.21Å; I190-V253 HydrophobicContact CG1-CG2 4.08Å; L249-V253 HydrophobicContact CB-CG2 3.95Å; L249-V253 HydrophobicContact CD2-CG2 4.05Å; L249-V253 HydrophobicContact CG-CG2 4.43Å; L249-V253 VanDerWaalsContact O-CB 3.22Å; L249-V253 WeakPolarHBondContact O-CB 3.35Å; L249-V253 VanDerWaalsContact O-CG2 3.25Å; L249-V253 WeakPolarHBondContact O-CG2 3.32Å; L249-V253 PolarHBondContact O-N 2.88Å; L249-V253 VanDerWaalsContact O-N 3.1Å; V253-L255 VanDerWaalsContact C-N 3.31Å; V253-L255 PolarHBondContact O-N 3.19Å; V253-E256 WeakPolarHBondContact O-CB 3.48Å; V253-E256 PolarHBondContact O-N 3.15Å; V253-V257 PolarHBondContact O-N 3.23Å; V253-W279 HydrophobicContact CG1-CH2 3.69Å; V253-W279 HydrophobicContact CG1-CZ2 3.55Å
254P96.9Very high87.3Confident0 Ų040.3 Ų40.30%024%0.243CC..Hα-helixtrans-63.2-33.5173.1-20.731.6000113.7P5 I145 M146 I182 L186 C250 H251 E256 V257 V258P5-P254 HydrophobicContact CG-CB 3.75Å; P5-P254 WeakPolarHBondContact CG-O 3.32Å; I145-P254 HydrophobicContact CD1-CB 4.48Å; I145-P254 HydrophobicContact CD1-CG 3.75Å; I145-P254 HydrophobicContact CG1-CG 4.42Å; M146-P254 HydrophobicContact CG-CB 3.73Å; M146-P254 HydrophobicContact CG-CG 4.45Å; M146-P254 HydrophobicContact SD-CB 3.66Å; I182-P254 HydrophobicContact CD1-CG 4.41Å; L186-P254 HydrophobicContact CD1-CB 4.21Å; L186-P254 HydrophobicContact CD1-CG 3.91Å; L186-P254 HydrophobicContact CD2-CB 4.24Å; L186-P254 HydrophobicContact CD2-CG 3.92Å; C250-P254 WeakPolarHBondContact O-CD 3.37Å; C250-P254 VanDerWaalsContact O-CG 3.23Å; C250-P254 WeakPolarHBondContact O-CG 3.39Å; H251-P254 WeakPolarHBondContact O-CD 3.27Å; P254-E256 VanDerWaalsContact C-N 3.32Å; P254-V257 WeakPolarHBondContact O-CB 3.47Å; P254-V257 PolarHBondContact O-N 3.06Å; P254-V257 VanDerWaalsContact O-N 3.17Å; P254-V258 PolarHBondContact O-N 2.81Å; P254-V258 VanDerWaalsContact O-N 3.11Å
255L95.7Very high86Confident48 Ų4841.1 Ų41.125%0.25125%0.252SS..Hα-helixtrans-70.1-29177.7-67.9175.2000112.5M146 F147 H251 T252 V253 V257 V258 S259M146-L255 HydrophobicContact CB-CD2 4.02Å; M146-L255 HydrophobicContact CG-CD2 4.14Å; M146-L255 HydrophobicContact CG-CG 4.4Å; M146-L255 HydrophobicContact SD-CD2 4.24Å; F147-L255 HydrophobicContact CE1-CD2 4.18Å; H251-L255 VanDerWaalsContact CE1-CD1 3.5Å; H251-L255 WeakPolarHBondContact CE1-CD1 3.41Å; H251-L255 WeakPolarHBondContact O-CG 3.46Å; T252-L255 WeakPolarHBondContact O-CB 3.45Å; T252-L255 PolarHBondContact O-N 3.31Å; V253-L255 VanDerWaalsContact C-N 3.31Å; V253-L255 PolarHBondContact O-N 3.19Å; L255-V257 VanDerWaalsContact C-N 3.31Å; L255-V258 PolarHBondContact O-N 3.35Å; L255-S259 WeakPolarHBondContact O-CB 3.28Å; L255-S259 PolarHBondContact O-N 3.02Å; L255-S259 PolarHBondContact O-OG 3.43Å
256E94.9Very high84.8Confident62 Ų6240.4 Ų40.429%0.2925%0.247SC..Hα-helixtrans-57-47.8167.7-62.7169.5-15800109.8R193 T252 V253 P254 V258 S259 L260 W279R193-E256 IonicContact CZ-OE2 2.92Å; R193-E256 IonicContact NE-OE1 3.84Å; R193-E256 IonicContact NE-OE2 2.74Å; R193-E256 IonicContact NH2-OE2 3.29Å; R193-E256 PolarHBondContact NH2-OE2 3.08Å; T252-E256 PolarHBondContact O-N 3.45Å; V253-E256 WeakPolarHBondContact O-CB 3.48Å; V253-E256 PolarHBondContact O-N 3.15Å; P254-E256 VanDerWaalsContact C-N 3.32Å; E256-V258 PolarHBondContact O-N 2.95Å; E256-S259 CarbonylContact O-C 3.55Å; E256-S259 WeakPolarHBondContact O-CA 3.49Å; E256-S259 WeakPolarHBondContact O-CB 3.28Å; E256-S259 PolarHBondContact O-N 2.89Å; E256-L260 WeakPolarHBondContact O-CG 3.21Å; E256-L260 PolarHBondContact O-N 3.2Å; E256-W279 HydrophobicContact CB-CZ2 4.3Å; E256-W279 PolarHBondContact OE2-NE1 3.27Å
257V92.9Very high83.4Confident5 Ų542.3 Ų42.33%0.0326%0.257CS..Hα-helixtrans-61.8-42.9179.6-1770000111.9P5 Y185 V253 P254 L255 S259 L260 F276 W279P5-V257 HydrophobicContact CB-CB 3.89Å; P5-V257 HydrophobicContact CB-CG1 3.66Å; P5-V257 HydrophobicContact CG-CB 3.91Å; P5-V257 HydrophobicContact CG-CG1 4.11Å; P5-V257 HydrophobicContact CG-CG2 4.47Å; Y185-V257 HydrophobicContact CE2-CG2 4.27Å; V253-V257 PolarHBondContact O-N 3.23Å; P254-V257 WeakPolarHBondContact O-CB 3.47Å; P254-V257 PolarHBondContact O-N 3.06Å; P254-V257 VanDerWaalsContact O-N 3.17Å; L255-V257 VanDerWaalsContact C-N 3.31Å; V257-S259 PolarHBondContact O-N 3.23Å; V257-L260 PolarHBondContact O-N 3.27Å; V257-F276 HydrophobicContact CG1-CD2 4.12Å; V257-F276 HydrophobicContact CG1-CE2 4.04Å; V257-F276 HydrophobicContact CG2-CE2 4.34Å; V257-W279 HydrophobicContact CG2-CD2 4.32Å; V257-W279 HydrophobicContact CG2-CE3 4.15Å; V257-W279 HydrophobicContact CG2-CH2 3.4Å; V257-W279 HydrophobicContact CG2-CZ2 3.55Å; V257-W279 HydrophobicContact CG2-CZ3 3.71Å
258V91.9Very high81.8Confident24 Ų2443.4 Ų43.415%0.14526%0.264CS..Hα-helixtrans-59.2-40.4174.3174.70000110.7P5 L9 M146 P254 L255 E256 V261P5-V258 HydrophobicContact CB-CG2 4Å; L9-V258 HydrophobicContact CD2-CG1 4.34Å; M146-V258 HydrophobicContact SD-CG2 3.94Å; P254-V258 PolarHBondContact O-N 2.81Å; P254-V258 VanDerWaalsContact O-N 3.11Å; L255-V258 PolarHBondContact O-N 3.35Å; E256-V258 PolarHBondContact O-N 2.95Å; V258-V261 PolarHBondContact O-N 2.97Å
259S90.6Very high80.3Confident87 Ų8745.6 Ų45.661%0.60828%0.277SS*.Hα-helixtrans-71-30.6-179.2-56.20000113.3L255 E256 V257 V261 G262L255-S259 WeakPolarHBondContact O-CB 3.28Å; L255-S259 PolarHBondContact O-N 3.02Å; L255-S259 PolarHBondContact O-OG 3.43Å; E256-S259 CarbonylContact O-C 3.55Å; E256-S259 WeakPolarHBondContact O-CA 3.49Å; E256-S259 WeakPolarHBondContact O-CB 3.28Å; E256-S259 PolarHBondContact O-N 2.89Å; V257-S259 PolarHBondContact O-N 3.23Å; S259-V261 PolarHBondContact O-N 3.36Å; S259-G262 VanDerWaalsContact O-CA 3.23Å; S259-G262 WeakPolarHBondContact O-CA 3.24Å; S259-G262 PolarHBondContact O-N 3.25Å; S259-G262 VanDerWaalsContact O-N 3.08Å
260L85.8Confident78.8Confident66 Ų6652.8 Ų52.835%0.34631%0.307SS..Hα-helixtrans-59.2-36.8175.5-67.9172.6000112.4E256 V257 G262 W279E256-L260 WeakPolarHBondContact O-CG 3.21Å; E256-L260 PolarHBondContact O-N 3.2Å; V257-L260 PolarHBondContact O-N 3.27Å; L260-G262 VanDerWaalsContact C-N 3.25Å; L260-G262 PolarHBondContact O-N 3.25Å; L260-W279 HydrophobicContact CD1-CB 3.51Å; L260-W279 HydrophobicContact CD1-CD2 4.07Å; L260-W279 HydrophobicContact CD1-CG 3.5Å; L260-W279 HydrophobicContact CD2-CB 4.38Å
261V71.3Confident77.3Confident33 Ų3355.1 Ų55.120%0.232%0.319CS..Hα-helixtrans-77.7-17.1-179.2-175.70000111.5L9 V258 S259 G263 K264L9-V261 HydrophobicContact CD1-CB 3.98Å; L9-V261 HydrophobicContact CD1-CG1 4.25Å; L9-V261 HydrophobicContact CD1-CG2 3.6Å; L9-V261 HydrophobicContact CD2-CB 3.93Å; L9-V261 HydrophobicContact CD2-CG1 4.02Å; L9-V261 HydrophobicContact CD2-CG2 4.49Å; V258-V261 PolarHBondContact O-N 2.97Å; S259-V261 PolarHBondContact O-N 3.36Å; V261-G263 PolarHBondContact O-N 3.12Å; V261-K264 PolarHBondContact O-N 3.04Å; V261-K264 VanDerWaalsContact O-N 3.09Å
262G54.1Low76.2Confident55 Ų5558.8 Ų58.857%0.56734%0.34SS*.THydrogen-bonded Turntrans38.652.3146.200000117.4S259 L260 K264S259-G262 VanDerWaalsContact O-CA 3.23Å; S259-G262 WeakPolarHBondContact O-CA 3.24Å; S259-G262 PolarHBondContact O-N 3.25Å; S259-G262 VanDerWaalsContact O-N 3.08Å; L260-G262 VanDerWaalsContact C-N 3.25Å; L260-G262 PolarHBondContact O-N 3.25Å; G262-K264 PolarHBondContact O-N 3.34Å; G262-K264 VanDerWaalsContact O-N 3.14Å
263G53.8Low75.4Confident76 Ų7662.4 Ų62.478%0.78435%0.35SS*.THydrogen-bonded Turntrans77-10.1172.800000116.7V261 G265V261-G263 PolarHBondContact O-N 3.12Å; G263-G265 PolarHBondContact O-N 3.46Å
264K53.8Low74.9Confident192 Ų19265.2 Ų65.284%0.83537%0.37SS*.THydrogen-bonded Turntrans-68.4-17.1176.1-67.1-175.3-179.3178.10112.9V261 G262V261-K264 PolarHBondContact O-N 3.04Å; V261-K264 VanDerWaalsContact O-N 3.09Å; G262-K264 PolarHBondContact O-N 3.34Å; G262-K264 VanDerWaalsContact O-N 3.14Å
265G57.2Low74.5Confident33 Ų3367.5 Ų67.534%0.3439%0.388SS..  trans89.2153.1-178.800000112.1G263G263-G265 PolarHBondContact O-N 3.46Å
266Y66.6Low74.2Confident19 Ų1967.4 Ų67.48%0.07539%0.386CS..  trans-89.1106174.6174.1-93.7000108.7L9 A10 Y13 P268 M271L9-Y266 HydrophobicContact CB-CD2 3.8Å; L9-Y266 HydrophobicContact CB-CG 4.14Å; L9-Y266 HydrophobicContact CD1-CD2 4.49Å; A10-Y266 HydrophobicContact CB-CD1 4.4Å; A10-Y266 HydrophobicContact CB-CE1 3.99Å; Y13-Y266 WeakPolarHBondContact CD2-O 3.45Å; Y13-Y266 WeakPolarHBondContact CE2-O 3.18Å; Y13-Y266 HydrophobicContact CG-CD1 4.32Å; Y266-P268 HydrophobicContact CE1-CB 4.11Å; Y266-P268 HydrophobicContact CE1-CG 3.98Å; Y266-M271 HydrophobicContact CD2-SD 3.98Å; Y266-M271 HydrophobicContact CE2-CE 4.3Å; Y266-M271 HydrophobicContact CE2-SD 4.28Å
267D66.9Low74Confident46 Ų4670.6 Ų70.625%0.24640%0.401CS..  trans-117.2100.8167.5-175.8-16.9000108.8E269 K270 M271D267-E269 PolarHBondContact O-N 3Å; D267-E269 PolarHBondContact OD1-N 3.29Å; D267-E269 VanDerWaalsContact OD1-N 3.12Å; D267-K270 HydrophobicContact CB-CB 4.16Å; D267-K270 CarbonylContact O-C 3.54Å; D267-K270 PolarHBondContact O-N 2.86Å; D267-K270 VanDerWaalsContact O-N 3.08Å; D267-K270 PolarHBondContact OD1-N 3.27Å; D267-K270 WeakPolarHBondContact OD2-CD 3.3Å; D267-K270 WeakPolarHBondContact OD2-CG 3.17Å; D267-M271 WeakPolarHBondContact O-CG 3.28Å; D267-M271 PolarHBondContact O-N 3.09Å
268P64.4Low74Confident23 Ų2374.6 Ų74.615%0.14944%0.435CS..THydrogen-bonded Turntrans-62-15.1-172.423.4-31.9000114.7Y93 Y266Y93-P268 HydrophobicContact CD1-CB 4.45Å; Y93-P268 HydrophobicContact CD2-CB 3.86Å; Y93-P268 HydrophobicContact CD2-CG 3.15Å; Y93-P268 HydrophobicContact CE2-CB 4.42Å; Y93-P268 HydrophobicContact CE2-CG 3.76Å; Y93-P268 HydrophobicContact CG-CB 3.83Å; Y93-P268 HydrophobicContact CG-CG 3.62Å; Y266-P268 HydrophobicContact CE1-CB 4.11Å; Y266-P268 HydrophobicContact CE1-CG 3.98Å
269E64.2Low74.2Confident102 Ų10274.6 Ų74.648%0.47743%0.432SS..THydrogen-bonded Turntrans-100.1-21.9175.2-75.2-173.6-178.300114.1Y93 R95 D267Y93-E269 PolarHBondContact OH-OE1 2.84Å; R95-E269 IonicContact CZ-OE1 3.36Å; R95-E269 IonicContact CZ-OE2 2.75Å; R95-E269 IonicContact NH1-OE1 3.97Å; R95-E269 PolarHBondContact NH1-OE1 3.28Å; R95-E269 IonicContact NH1-OE2 2.79Å; R95-E269 PolarHBondContact NH1-OE2 2.69Å; R95-E269 IonicContact NH2-OE2 2.71Å; R95-E269 PolarHBondContact NH2-OE2 2.94Å; D267-E269 PolarHBondContact O-N 3Å; D267-E269 PolarHBondContact OD1-N 3.29Å; D267-E269 VanDerWaalsContact OD1-N 3.12Å
270K65.7Low74.5Confident164 Ų16471.7 Ų71.771%0.71341%0.409SS*.THydrogen-bonded Turntrans-111.712.9179.6-58.1-175.5-173.5172.50112.6D267 D272D267-K270 HydrophobicContact CB-CB 4.16Å; D267-K270 CarbonylContact O-C 3.54Å; D267-K270 PolarHBondContact O-N 2.86Å; D267-K270 VanDerWaalsContact O-N 3.08Å; D267-K270 PolarHBondContact OD1-N 3.27Å; D267-K270 WeakPolarHBondContact OD2-CD 3.3Å; D267-K270 WeakPolarHBondContact OD2-CG 3.17Å; K270-D272 PolarHBondContact O-N 2.9Å; K270-D272 VanDerWaalsContact O-N 3.1Å
271M66.8Low75Confident49 Ų4974.6 Ų74.624%0.24142%0.416CS..  trans-62.9117178.2-78.7-131.6-59.600109.4Y266 D267 Y273Y266-M271 HydrophobicContact CD2-SD 3.98Å; Y266-M271 HydrophobicContact CE2-CE 4.3Å; Y266-M271 HydrophobicContact CE2-SD 4.28Å; D267-M271 WeakPolarHBondContact O-CG 3.28Å; D267-M271 PolarHBondContact O-N 3.09Å; M271-Y273 HydrophobicContact CB-CD2 4.39Å; M271-Y273 HydrophobicContact CB-CE1 4.33Å; M271-Y273 HydrophobicContact CB-CE2 3.92Å; M271-Y273 HydrophobicContact CE-CD1 4.31Å; M271-Y273 HydrophobicContact CE-CE1 3.47Å; M271-Y273 VanDerWaalsContact CE-CE1 3.47Å; M271-Y273 VanDerWaalsContact O-CD2 3.23Å; M271-Y273 WeakPolarHBondContact O-CD2 3.43Å; M271-Y273 WeakPolarHBondContact O-CE2 3.48Å; M271-Y273 PolarHBondContact O-N 3.02Å
272D73.5Confident76.3Confident115 Ų11573 Ų7362%0.61541%0.407SS*.  trans-73.7106.4162.6177.48.8000108.1K270 S274K270-D272 PolarHBondContact O-N 2.9Å; K270-D272 VanDerWaalsContact O-N 3.1Å; D272-S274 VanDerWaalsContact C-N 3.25Å; D272-S274 PolarHBondContact O-N 3.35Å; D272-S274 WeakPolarHBondContact OD1-CB 3.45Å; D272-S274 PolarHBondContact OD1-N 3.28Å; D272-S274 PolarHBondContact OD1-OG 2.95Å; D272-S274 PolarHBondContact OD2-OG 2.95Å
273Y80.4Confident78.3Confident111 Ų11172.6 Ų72.644%0.43539%0.388SS..  trans-79.4-5.6179.4-68.8-80.8000112.9M271 A275 F276 E277M271-Y273 HydrophobicContact CB-CD2 4.39Å; M271-Y273 HydrophobicContact CB-CE1 4.33Å; M271-Y273 HydrophobicContact CB-CE2 3.92Å; M271-Y273 HydrophobicContact CE-CD1 4.31Å; M271-Y273 HydrophobicContact CE-CE1 3.47Å; M271-Y273 VanDerWaalsContact CE-CE1 3.47Å; M271-Y273 VanDerWaalsContact O-CD2 3.23Å; M271-Y273 WeakPolarHBondContact O-CD2 3.43Å; M271-Y273 WeakPolarHBondContact O-CE2 3.48Å; M271-Y273 PolarHBondContact O-N 3.02Å; Y273-A275 VanDerWaalsContact C-N 3.32Å; Y273-A275 PolarHBondContact O-N 3.09Å; Y273-F276 CarbonylContact O-C 3.55Å; Y273-F276 WeakPolarHBondContact O-CA 3.49Å; Y273-F276 WeakPolarHBondContact O-CB 3.4Å; Y273-F276 PolarHBondContact O-N 3.31Å; Y273-E277 WeakPolarHBondContact O-CG 3.38Å; Y273-E277 PolarHBondContact O-N 2.68Å
274S86Confident80.2Confident59 Ų5976.8 Ų76.841%0.41338%0.381SS..Hα-helixtrans-58.4-41.2-174.664.20000113.1D272 F276 E277 A278D272-S274 VanDerWaalsContact C-N 3.25Å; D272-S274 PolarHBondContact O-N 3.35Å; D272-S274 WeakPolarHBondContact OD1-CB 3.45Å; D272-S274 PolarHBondContact OD1-N 3.28Å; D272-S274 PolarHBondContact OD1-OG 2.95Å; D272-S274 PolarHBondContact OD2-OG 2.95Å; S274-F276 VanDerWaalsContact C-N 3.33Å; S274-F276 PolarHBondContact O-N 2.82Å; S274-E277 PolarHBondContact O-N 3.5Å; S274-A278 VanDerWaalsContact O-CB 3.25Å; S274-A278 WeakPolarHBondContact O-CB 3.1Å; S274-A278 PolarHBondContact O-N 2.66Å
275A88Confident82.2Confident48 Ų4869.9 Ų69.940%0.39736%0.355SS..Hα-helixtrans-66.7-35.5177.200000112.2Y273 W279Y273-A275 VanDerWaalsContact C-N 3.32Å; Y273-A275 PolarHBondContact O-N 3.09Å; A275-W279 WeakPolarHBondContact O-CB 3.38Å; A275-W279 PolarHBondContact O-N 3.45Å; A275-W279 VanDerWaalsContact O-N 3.14Å
276F90Very high84Confident47 Ų4776 Ų7621%0.20638%0.38CS..Hα-helixtrans-71.6-45.5175.4179-103.5000111.1Y185 V257 Y273 S274 A278 W279 L280Y185-F276 HydrophobicContact CD1-CZ 4.26Å; Y185-F276 HydrophobicContact CD2-CE2 4.32Å; Y185-F276 AromaticContact CD2-CZ 3.97Å; Y185-F276 HydrophobicContact CD2-CZ 3.97Å; Y185-F276 HydrophobicContact CE1-CZ 4.26Å; Y185-F276 AromaticContact CE2-CE2 3.96Å; Y185-F276 HydrophobicContact CE2-CE2 3.96Å; Y185-F276 AromaticContact CE2-CZ 3.98Å; Y185-F276 HydrophobicContact CE2-CZ 3.98Å; Y185-F276 HydrophobicContact CG-CZ 4.14Å; V257-F276 HydrophobicContact CG1-CD2 4.12Å; V257-F276 HydrophobicContact CG1-CE2 4.04Å; V257-F276 HydrophobicContact CG2-CE2 4.34Å; Y273-F276 CarbonylContact O-C 3.55Å; Y273-F276 WeakPolarHBondContact O-CA 3.49Å; Y273-F276 WeakPolarHBondContact O-CB 3.4Å; Y273-F276 PolarHBondContact O-N 3.31Å; S274-F276 VanDerWaalsContact C-N 3.33Å; S274-F276 PolarHBondContact O-N 2.82Å; F276-A278 VanDerWaalsContact C-N 3.33Å; F276-A278 PolarHBondContact O-N 2.89Å; F276-W279 HydrophobicContact CD2-CE3 4.21Å; F276-W279 AromaticContact CE2-CE3 3.99Å; F276-W279 HydrophobicContact CE2-CE3 3.99Å; F276-W279 HydrophobicContact CE2-CZ3 4Å; F276-W279 WeakPolarHBondContact O-CB 3.49Å; F276-W279 PolarHBondContact O-N 3.06Å; F276-L280 HydrophobicContact CD1-CD1 4.33Å; F276-L280 HydrophobicContact CE1-CD1 3.96Å; F276-L280 HydrophobicContact CE1-CD2 4.13Å; F276-L280 HydrophobicContact CE1-CG 4.21Å; F276-L280 HydrophobicContact CE2-CD2 4.43Å; F276-L280 HydrophobicContact CZ-CD2 3.92Å; F276-L280 HydrophobicContact CZ-CG 4.45Å; F276-L280 WeakPolarHBondContact O-CG 3.21Å; F276-L280 PolarHBondContact O-N 3.33Å; F276-L280 VanDerWaalsContact O-N 3.11Å
277E91.1Very high85.3Confident129 Ų12978.2 Ų78.260%0.60341%0.409SS*.Hα-helixtrans-59.2-42.8175.7-71.8175.3176.700111.6Y273 S274 W279 L280Y273-E277 WeakPolarHBondContact O-CG 3.38Å; Y273-E277 PolarHBondContact O-N 2.68Å; S274-E277 PolarHBondContact O-N 3.5Å; E277-W279 VanDerWaalsContact C-N 3.26Å; E277-W279 PolarHBondContact O-N 3.01Å; E277-L280 PolarHBondContact O-N 3.42Å
278A92.8Very high86.7Confident89 Ų8976.8 Ų76.874%0.73640%0.401SS*.Hα-helixtrans-68.2-23.8175.100000113.4S274 F276S274-A278 VanDerWaalsContact O-CB 3.25Å; S274-A278 WeakPolarHBondContact O-CB 3.1Å; S274-A278 PolarHBondContact O-N 2.66Å; F276-A278 VanDerWaalsContact C-N 3.33Å; F276-A278 PolarHBondContact O-N 2.89Å
279W94.9Very high88.3Confident23 Ų2379.4 Ų79.49%0.08741%0.41CS..Hα-helixtrans-78.5-29.3175.6172.389.3000112.7Y185 L186 E189 R193 V253 E256 V257 L260 A275 F276 E277 R281Y185-W279 HydrophobicContact CD2-CZ3 4.22Å; Y185-W279 HydrophobicContact CE2-CH2 4.48Å; Y185-W279 HydrophobicContact CE2-CZ3 4.25Å; L186-W279 HydrophobicContact CD2-CH2 4.42Å; E189-W279 HydrophobicContact CB-CH2 4.16Å; E189-W279 HydrophobicContact CG-CH2 3.91Å; E189-W279 HydrophobicContact CG-CZ3 3.82Å; R193-W279 VanDerWaalsContact NH2-CE2 3.35Å; V253-W279 HydrophobicContact CG1-CH2 3.69Å; V253-W279 HydrophobicContact CG1-CZ2 3.55Å; E256-W279 HydrophobicContact CB-CZ2 4.3Å; E256-W279 PolarHBondContact OE2-NE1 3.27Å; V257-W279 HydrophobicContact CG2-CD2 4.32Å; V257-W279 HydrophobicContact CG2-CE3 4.15Å; V257-W279 HydrophobicContact CG2-CH2 3.4Å; V257-W279 HydrophobicContact CG2-CZ2 3.55Å; V257-W279 HydrophobicContact CG2-CZ3 3.71Å; L260-W279 HydrophobicContact CD1-CB 3.51Å; L260-W279 HydrophobicContact CD1-CD2 4.07Å; L260-W279 HydrophobicContact CD1-CG 3.5Å; L260-W279 HydrophobicContact CD2-CB 4.38Å; A275-W279 WeakPolarHBondContact O-CB 3.38Å; A275-W279 PolarHBondContact O-N 3.45Å; A275-W279 VanDerWaalsContact O-N 3.14Å; F276-W279 HydrophobicContact CD2-CE3 4.21Å; F276-W279 AromaticContact CE2-CE3 3.99Å; F276-W279 HydrophobicContact CE2-CE3 3.99Å; F276-W279 HydrophobicContact CE2-CZ3 4Å; F276-W279 WeakPolarHBondContact O-CB 3.49Å; F276-W279 PolarHBondContact O-N 3.06Å; E277-W279 VanDerWaalsContact C-N 3.26Å; E277-W279 PolarHBondContact O-N 3.01Å; W279-R281 WeakPolarHBondContact O-CG 3.29Å; W279-R281 PolarHBondContact O-N 2.98Å
280L96.3Very high89.8Confident26 Ų2675.4 Ų75.414%0.13639%0.393CS..  trans-61.9132178.4-66.3175.8000110.8E189 F276 E277 Y283 V285E189-L280 HydrophobicContact CG-CD2 4.15Å; F276-L280 HydrophobicContact CD1-CD1 4.33Å; F276-L280 HydrophobicContact CE1-CD1 3.96Å; F276-L280 HydrophobicContact CE1-CD2 4.13Å; F276-L280 HydrophobicContact CE1-CG 4.21Å; F276-L280 HydrophobicContact CE2-CD2 4.43Å; F276-L280 HydrophobicContact CZ-CD2 3.92Å; F276-L280 HydrophobicContact CZ-CG 4.45Å; F276-L280 WeakPolarHBondContact O-CG 3.21Å; F276-L280 PolarHBondContact O-N 3.33Å; F276-L280 VanDerWaalsContact O-N 3.11Å; E277-L280 PolarHBondContact O-N 3.42Å; L280-Y283 HydrophobicContact CD1-CD1 4.45Å; L280-V285 HydrophobicContact CB-CG2 4.08Å
281R97.3Very high91.3Very high128 Ų12867.7 Ų67.748%0.48336%0.36SS..SBendtrans-115.5-15.2178.7-53.1-175.2-172.5175.32.8112.8E189 Y192 W279 M288E189-R281 PolarHBondContact OE1-N 2.9Å; E189-R281 PolarHBondContact OE2-N 3.45Å; E189-R281 VanDerWaalsContact OE2-N 3.12Å; Y192-R281 HydrophobicContact CD1-CB 3.79Å; Y192-R281 HydrophobicContact CE1-CB 3.56Å; W279-R281 WeakPolarHBondContact O-CG 3.29Å; W279-R281 PolarHBondContact O-N 2.98Å; R281-M288 WeakPolarHBondContact O-CE 3.06Å
282C97.8Very high92.7Very high0 Ų072.9 Ų72.90%038%0.377CS..SBendtrans-137.6-49.9-173.5-174.90000112.9A188 E189 Y192 Y284 V285 W300A188-C282 HydrophobicContact CB-CB 4.49Å; E189-C282 WeakPolarHBondContact OE1-CA 3.42Å; E189-C282 WeakPolarHBondContact OE1-CB 3.39Å; E189-C282 PolarHBondContact OE1-N 3.42Å; Y192-C282 HydrophobicContact CD1-CB 4.15Å; Y192-C282 HydrophobicContact CD2-CB 3.94Å; Y192-C282 HydrophobicContact CG-CB 3.62Å; C282-Y284 PolarHBondContact O-N 3.14Å; C282-V285 PolarHBondContact O-N 3.03Å; C282-W300 VanDerWaalsContact SG-C 3.51Å; C282-W300 PolarHBondContact SG-O 3.09Å; C282-W300 VanDerWaalsContact SG-O 3.33Å
283Y97.1Very high93.8Very high46 Ų4667.7 Ų67.718%0.1835%0.349CS..THydrogen-bonded Turntrans-68.7117.9-174.6-171.7-104.7000111.1N184 A188 E189 L280 V285 W300N184-Y283 HydrophobicContact CB-CE2 4.31Å; A188-Y283 HydrophobicContact CB-CD2 4.15Å; E189-Y283 PolarHBondContact OE1-N 2.78Å; L280-Y283 HydrophobicContact CD1-CD1 4.45Å; Y283-V285 PolarHBondContact O-N 3.13Å; Y283-W300 AromaticContact CD2-CD2 3.79Å; Y283-W300 HydrophobicContact CD2-CD2 3.79Å; Y283-W300 AromaticContact CD2-CE3 3.4Å; Y283-W300 HydrophobicContact CD2-CE3 3.4Å; Y283-W300 VanDerWaalsContact CD2-CE3 3.4Å; Y283-W300 HydrophobicContact CD2-CG 4.39Å; Y283-W300 HydrophobicContact CD2-CH2 4.38Å; Y283-W300 AromaticContact CD2-CZ3 3.74Å; Y283-W300 HydrophobicContact CD2-CZ3 3.74Å; Y283-W300 HydrophobicContact CE2-CD2 4.07Å; Y283-W300 AromaticContact CE2-CE3 3.38Å; Y283-W300 HydrophobicContact CE2-CE3 3.38Å; Y283-W300 AromaticContact CE2-CH2 3.68Å; Y283-W300 HydrophobicContact CE2-CH2 3.68Å; Y283-W300 HydrophobicContact CE2-CZ2 4.34Å; Y283-W300 AromaticContact CE2-CZ3 3.17Å; Y283-W300 HydrophobicContact CE2-CZ3 3.17Å
284Y94.5Very high94.5Very high164 Ų16467.4 Ų67.464%0.64335%0.351SS*.THydrogen-bonded Turntrans56.220.2-173-76.5-85.8000115.5C282 W300C282-Y284 PolarHBondContact O-N 3.14Å; Y284-W300 HydrophobicContact CD1-CZ2 4.23Å; Y284-W300 HydrophobicContact CD2-CH2 4.28Å; Y284-W300 AromaticContact CD2-CZ2 3.72Å; Y284-W300 HydrophobicContact CD2-CZ2 3.72Å; Y284-W300 AromaticContact CE1-CZ2 3.89Å; Y284-W300 HydrophobicContact CE1-CZ2 3.89Å; Y284-W300 AromaticContact CE2-CH2 3.63Å; Y284-W300 HydrophobicContact CE2-CH2 3.63Å; Y284-W300 AromaticContact CE2-CZ2 3.34Å; Y284-W300 HydrophobicContact CE2-CZ2 3.34Å; Y284-W300 HydrophobicContact CG-CZ2 4.16Å; Y284-W300 AromaticContact CZ-CH2 3.92Å; Y284-W300 AromaticContact CZ-CZ2 3.43Å; Y284-W300 VanDerWaalsContact CZ-CZ2 3.43Å; Y284-W300 VanDerWaalsContact N-CD1 3.32Å
285V95.5Very high95Very high46 Ų4668.8 Ų68.828%0.27935%0.354SS..  trans-86.4135177176.80000110.4L280 C282 Y283 M288L280-V285 HydrophobicContact CB-CG2 4.08Å; C282-V285 PolarHBondContact O-N 3.03Å; Y283-V285 PolarHBondContact O-N 3.13Å; V285-M288 HydrophobicContact CB-CG 4.06Å; V285-M288 HydrophobicContact CG1-CE 4.47Å; V285-M288 HydrophobicContact CG1-CG 4.45Å; V285-M288 VanDerWaalsContact O-CB 3.28Å; V285-M288 WeakPolarHBondContact O-CB 3.3Å; V285-M288 VanDerWaalsContact O-CG 3.29Å; V285-M288 WeakPolarHBondContact O-CG 3.4Å; V285-M288 PolarHBondContact O-N 3.27Å
286D95.1Very high95.3Very high161 Ų16168 Ų6886%0.86135%0.351SS*.THydrogen-bonded Turntrans-55.1137.7179.6-75.5-9.8000112.3M288D286-M288 VanDerWaalsContact C-N 3.28Å; D286-M288 PolarHBondContact O-N 3.25Å
287G93.6Very high95.6Very high66 Ų6671.2 Ų71.268%0.6836%0.361SS*.THydrogen-bonded Turntrans81.80.7-178.300000114.8
288M96.6Very high95.9Very high17 Ų1766.9 Ų66.98%0.08434%0.344CS..  trans-85.5140.2172.3-61.7-58.4172.700111.7Y192 R281 V285 D286 K302Y192-M288 HydrophobicContact CD2-CE 4.18Å; Y192-M288 HydrophobicContact CD2-SD 4.4Å; Y192-M288 HydrophobicContact CE2-CE 3.36Å; Y192-M288 HydrophobicContact CE2-SD 3.98Å; R281-M288 WeakPolarHBondContact O-CE 3.06Å; V285-M288 HydrophobicContact CB-CG 4.06Å; V285-M288 HydrophobicContact CG1-CE 4.47Å; V285-M288 HydrophobicContact CG1-CG 4.45Å; V285-M288 VanDerWaalsContact O-CB 3.28Å; V285-M288 WeakPolarHBondContact O-CB 3.3Å; V285-M288 VanDerWaalsContact O-CG 3.29Å; V285-M288 WeakPolarHBondContact O-CG 3.4Å; V285-M288 PolarHBondContact O-N 3.27Å; D286-M288 VanDerWaalsContact C-N 3.28Å; D286-M288 PolarHBondContact O-N 3.25Å; M288-K302 HydrophobicContact CE-CD 4.31Å; M288-K302 HydrophobicContact SD-CB 3.77Å; M288-K302 HydrophobicContact SD-CD 4.29Å; M288-K302 HydrophobicContact SD-CG 4.22Å
289K96.6Very high96.1Very high78 Ų7862.6 Ų62.634%0.33931%0.309SS..EExtended strand (participates in β ladder)trans-76.8150.7173.8-66.3-179.3-175.7174.20110W300 F301 G303 Y315 T316K289-W300 CarbonylContact O-C 3.57Å; K289-W300 WeakPolarHBondContact O-CA 3.31Å; K289-F301 HydrophobicContact CB-CD1 4.27Å; K289-F301 HydrophobicContact CB-CD2 4.43Å; K289-F301 HydrophobicContact CB-CE1 3.79Å; K289-F301 HydrophobicContact CB-CE2 3.97Å; K289-F301 HydrophobicContact CB-CZ 3.62Å; K289-F301 HydrophobicContact CD-CE2 4Å; K289-F301 HydrophobicContact CD-CZ 4.08Å; K289-F301 PolarHBondContact N-O 2.83Å; K289-F301 PolarHBondContact O-N 3.49Å; K289-G303 PolarHBondContact NZ-O 3.44Å; K289-Y315 CarbonylContact C-O 3.54Å; K289-Y315 VanDerWaalsContact CA-O 3.25Å; K289-Y315 WeakPolarHBondContact CA-O 3.38Å; K289-T316 HydrophobicContact CG-CG2 4.25Å
290S96.7Very high96.3Very high17 Ų1762.4 Ų62.412%0.11931%0.308CS..EExtended strand (participates in β ladder)trans-138.7149.8168.870.40000113.8M299 Y315S290-M299 WeakPolarHBondContact CA-O 3.32Å; S290-M299 WeakPolarHBondContact CB-O 3.48Å; S290-Y315 PolarHBondContact N-O 2.75Å; S290-Y315 PolarHBondContact O-N 2.77Å
291V96.6Very high96.3Very high3 Ų361.5 Ų61.52%0.01830%0.303CS..EExtended strand (participates in β ladder)trans-149.3154176.567.60000109.5F199 T298 M299 F301 P310 Y314F199-V291 HydrophobicContact CD2-CG1 4.5Å; F199-V291 HydrophobicContact CE2-CG1 3.34Å; F199-V291 HydrophobicContact CZ-CG1 3.64Å; V291-T298 CarbonylContact O-C 3.56Å; V291-T298 WeakPolarHBondContact O-CA 3.42Å; V291-M299 PolarHBondContact N-O 3.21Å; V291-M299 VanDerWaalsContact N-O 3.1Å; V291-M299 PolarHBondContact O-N 3.27Å; V291-F301 HydrophobicContact CG1-CE1 3.96Å; V291-P310 HydrophobicContact CG2-CG 4.17Å; V291-Y314 HydrophobicContact CB-CD1 3.92Å; V291-Y314 HydrophobicContact CB-CE1 3.91Å; V291-Y314 HydrophobicContact CG1-CD1 4.46Å; V291-Y314 HydrophobicContact CG1-CE1 4.08Å; V291-Y314 HydrophobicContact CG2-CD1 4.25Å; V291-Y314 HydrophobicContact CG2-CE1 4.03Å
292R96.7Very high96.3Very high158 Ų15861.7 Ų61.760%0.59631%0.307SS*.EExtended strand (participates in β ladder)trans-79.7130.4172.8-70.7-173.2178.7-115.87.1109.8G296 R297 P310R292-G296 PolarHBondContact NH1-O 3.36Å; R292-R297 WeakPolarHBondContact CA-O 3.33Å; R292-P310 WeakPolarHBondContact O-CG 3.35Å
293D96.3Very high96.1Very high6 Ų663.5 Ų63.53%0.03233%0.326CS..  trans-69.3175.7169.569.623.9000111.8E171 R187 F199 N295 G296 R297E171-D293 HydrophobicContact CG-CB 4Å; R187-D293 IonicContact CZ-OD2 3.78Å; R187-D293 IonicContact NH1-OD2 3.33Å; R187-D293 PolarHBondContact NH1-OD2 3.42Å; R187-D293 IonicContact NH2-OD2 3.82Å; R187-D293 PolarHBondContact NH2-OD2 2.81Å; F199-D293 HydrophobicContact CE1-CB 4.18Å; F199-D293 HydrophobicContact CZ-CB 4.35Å; D293-N295 PolarHBondContact O-N 3.35Å; D293-N295 VanDerWaalsContact O-N 3.09Å; D293-N295 VanDerWaalsContact OD1-C 3.26Å; D293-N295 WeakPolarHBondContact OD1-CA 3.33Å; D293-N295 WeakPolarHBondContact OD1-CB 3.49Å; D293-N295 PolarHBondContact OD1-N 3.45Å; D293-G296 PolarHBondContact O-N 3.35Å; D293-G296 PolarHBondContact OD1-N 2.88Å; D293-R297 PolarHBondContact N-O 3.14Å; D293-R297 PolarHBondContact OD1-N 3.46Å
294H96.1Very high96Very high104 Ų10466.4 Ų66.448%0.48134%0.344SS..THydrogen-bonded Turntrans-66.1-14-177.3-60.392.1000113.3E171 M308E171-H294 VanDerWaalsContact OE1-CB 3.31Å; E171-H294 WeakPolarHBondContact OE1-CB 3.28Å; E171-H294 IonicContact OE1-CE1 2.68Å; E171-H294 IonicContact OE1-CG 3.15Å; E171-H294 PolarHBondContact OE1-N 3.48Å; E171-H294 IonicContact OE1-ND1 2.86Å; E171-H294 PolarHBondContact OE1-ND1 2.64Å; E171-H294 IonicContact OE2-ND1 3.91Å; H294-M308 PolarHBondContact CE1-O 2.89Å
295N95Very high96.1Very high88 Ų8859.5 Ų59.547%0.47132%0.32SS..THydrogen-bonded Turntrans-99.38.9176.1-50.8-52.5000111.9R167 D293 R297R167-N295 PolarHBondContact NH2-ND2 2.91Å; R167-N295 PolarHBondContact NH2-OD1 3.35Å; D293-N295 PolarHBondContact O-N 3.35Å; D293-N295 VanDerWaalsContact O-N 3.09Å; D293-N295 VanDerWaalsContact OD1-C 3.26Å; D293-N295 WeakPolarHBondContact OD1-CA 3.33Å; D293-N295 WeakPolarHBondContact OD1-CB 3.49Å; D293-N295 PolarHBondContact OD1-N 3.45Å; N295-R297 VanDerWaalsContact C-N 3.33Å; N295-R297 PolarHBondContact O-N 2.9Å
296G94.8Very high96.2Very high32 Ų3257.7 Ų57.733%0.3331%0.311SS..SBendtrans79.95.3175.700000115.3R292 D293R292-G296 PolarHBondContact NH1-O 3.36Å; D293-G296 PolarHBondContact O-N 3.35Å; D293-G296 PolarHBondContact OD1-N 2.88Å
297R95.9Very high96.3Very high114 Ų11455.5 Ų55.543%0.4331%0.305SS..  trans-87137.8176.2-60.5179.5-176.3-175.14.3109.8R292 D293 N295R292-R297 WeakPolarHBondContact CA-O 3.33Å; D293-R297 PolarHBondContact N-O 3.14Å; D293-R297 PolarHBondContact OD1-N 3.46Å; N295-R297 VanDerWaalsContact C-N 3.33Å; N295-R297 PolarHBondContact O-N 2.9Å
298T97.1Very high96.5Very high38 Ų3855.5 Ų55.523%0.23329%0.288CS..EExtended strand (participates in β ladder)trans-69.5138.5176.4-58.40000110.1N184 R187 V291 W300N184-T298 PolarHBondContact ND2-O 3.43Å; N184-T298 PolarHBondContact OD1-O 3.48Å; N184-T298 VanDerWaalsContact OD1-O 3.1Å; R187-T298 PolarHBondContact NH2-O 3.11Å; V291-T298 CarbonylContact O-C 3.56Å; V291-T298 WeakPolarHBondContact O-CA 3.42Å; T298-W300 VanDerWaalsContact C-CZ3 3.46Å; T298-W300 VanDerWaalsContact CB-CH2 3.4Å; T298-W300 VanDerWaalsContact CB-CZ3 3.48Å; T298-W300 HydrophobicContact CG2-CD2 4.06Å; T298-W300 HydrophobicContact CG2-CE3 3.87Å; T298-W300 HydrophobicContact CG2-CH2 3.39Å; T298-W300 HydrophobicContact CG2-CZ2 3.56Å; T298-W300 HydrophobicContact CG2-CZ3 3.52Å; T298-W300 WeakPolarHBondContact O-CZ3 3.3Å
299M97.8Very high96.4Very high0 Ų055.8 Ų55.80%029%0.294CS..EExtended strand (participates in β ladder)trans-118.3129.4175.4-177.563.2-139.300108.6C170 R187 A188 L191 P198 F199 S290 V291C170-M299 HydrophobicContact CB-CE 4.43Å; C170-M299 HydrophobicContact CB-CG 4.01Å; C170-M299 HydrophobicContact CB-SD 3.56Å; C170-M299 VanDerWaalsContact CB-SD 3.56Å; R187-M299 VanDerWaalsContact CD-SD 3.56Å; R187-M299 HydrophobicContact CG-CE 4.2Å; R187-M299 HydrophobicContact CG-SD 3.83Å; R187-M299 PolarHBondContact NE-SD 3Å; A188-M299 VanDerWaalsContact CA-CE 3.43Å; A188-M299 HydrophobicContact CB-CE 3.83Å; L191-M299 HydrophobicContact CD1-CE 3.93Å; P198-M299 HydrophobicContact CB-CE 4.25Å; P198-M299 HydrophobicContact CB-CG 3.71Å; P198-M299 HydrophobicContact CB-SD 4.38Å; P198-M299 HydrophobicContact CG-CG 4.19Å; F199-M299 HydrophobicContact CZ-CB 4.49Å; S290-M299 WeakPolarHBondContact CA-O 3.32Å; S290-M299 WeakPolarHBondContact CB-O 3.48Å; V291-M299 PolarHBondContact N-O 3.21Å; V291-M299 VanDerWaalsContact N-O 3.1Å; V291-M299 PolarHBondContact O-N 3.27Å
300W98.2Very high96.2Very high19 Ų1953 Ų537%0.07228%0.284CS..EExtended strand (participates in β ladder)trans-104.2137.9178.2-71.1-105.6000110.3N184 A188 C282 Y283 Y284 K289 T298N184-W300 WeakPolarHBondContact ND2-CZ3 3.06Å; A188-W300 HydrophobicContact CB-CB 4.14Å; C282-W300 VanDerWaalsContact SG-C 3.51Å; C282-W300 PolarHBondContact SG-O 3.09Å; C282-W300 VanDerWaalsContact SG-O 3.33Å; Y283-W300 AromaticContact CD2-CD2 3.79Å; Y283-W300 HydrophobicContact CD2-CD2 3.79Å; Y283-W300 AromaticContact CD2-CE3 3.4Å; Y283-W300 HydrophobicContact CD2-CE3 3.4Å; Y283-W300 VanDerWaalsContact CD2-CE3 3.4Å; Y283-W300 HydrophobicContact CD2-CG 4.39Å; Y283-W300 HydrophobicContact CD2-CH2 4.38Å; Y283-W300 AromaticContact CD2-CZ3 3.74Å; Y283-W300 HydrophobicContact CD2-CZ3 3.74Å; Y283-W300 HydrophobicContact CE2-CD2 4.07Å; Y283-W300 AromaticContact CE2-CE3 3.38Å; Y283-W300 HydrophobicContact CE2-CE3 3.38Å; Y283-W300 AromaticContact CE2-CH2 3.68Å; Y283-W300 HydrophobicContact CE2-CH2 3.68Å; Y283-W300 HydrophobicContact CE2-CZ2 4.34Å; Y283-W300 AromaticContact CE2-CZ3 3.17Å; Y283-W300 HydrophobicContact CE2-CZ3 3.17Å; Y284-W300 HydrophobicContact CD1-CZ2 4.23Å; Y284-W300 HydrophobicContact CD2-CH2 4.28Å; Y284-W300 AromaticContact CD2-CZ2 3.72Å; Y284-W300 HydrophobicContact CD2-CZ2 3.72Å; Y284-W300 AromaticContact CE1-CZ2 3.89Å; Y284-W300 HydrophobicContact CE1-CZ2 3.89Å; Y284-W300 AromaticContact CE2-CH2 3.63Å; Y284-W300 HydrophobicContact CE2-CH2 3.63Å; Y284-W300 AromaticContact CE2-CZ2 3.34Å; Y284-W300 HydrophobicContact CE2-CZ2 3.34Å; Y284-W300 HydrophobicContact CG-CZ2 4.16Å; Y284-W300 AromaticContact CZ-CH2 3.92Å; Y284-W300 AromaticContact CZ-CZ2 3.43Å; Y284-W300 VanDerWaalsContact CZ-CZ2 3.43Å; Y284-W300 VanDerWaalsContact N-CD1 3.32Å; K289-W300 CarbonylContact O-C 3.57Å; K289-W300 WeakPolarHBondContact O-CA 3.31Å; T298-W300 VanDerWaalsContact C-CZ3 3.46Å; T298-W300 VanDerWaalsContact CB-CH2 3.4Å; T298-W300 VanDerWaalsContact CB-CZ3 3.48Å; T298-W300 HydrophobicContact CG2-CD2 4.06Å; T298-W300 HydrophobicContact CG2-CE3 3.87Å; T298-W300 HydrophobicContact CG2-CH2 3.39Å; T298-W300 HydrophobicContact CG2-CZ2 3.56Å; T298-W300 HydrophobicContact CG2-CZ3 3.52Å; T298-W300 WeakPolarHBondContact O-CZ3 3.3Å
301F97.7Very high95.6Very high7 Ų762.8 Ų62.83%0.03132%0.324CS..EExtended strand (participates in β ladder)trans-161.1169.3-177.666.4-76.7000111.7P198 K289 V291 P305 Y314P198-F301 HydrophobicContact CG-CB 3.77Å; P198-F301 HydrophobicContact CG-CD1 3.89Å; P198-F301 HydrophobicContact CG-CD2 4.09Å; P198-F301 HydrophobicContact CG-CG 3.64Å; K289-F301 HydrophobicContact CB-CD1 4.27Å; K289-F301 HydrophobicContact CB-CD2 4.43Å; K289-F301 HydrophobicContact CB-CE1 3.79Å; K289-F301 HydrophobicContact CB-CE2 3.97Å; K289-F301 HydrophobicContact CB-CZ 3.62Å; K289-F301 HydrophobicContact CD-CE2 4Å; K289-F301 HydrophobicContact CD-CZ 4.08Å; K289-F301 PolarHBondContact N-O 2.83Å; K289-F301 PolarHBondContact O-N 3.49Å; V291-F301 HydrophobicContact CG1-CE1 3.96Å; F301-P305 HydrophobicContact CE1-CB 4.49Å; F301-P305 HydrophobicContact CE2-CB 3.73Å; F301-P305 HydrophobicContact CE2-CG 4.43Å; F301-P305 HydrophobicContact CZ-CB 3.67Å; F301-P305 HydrophobicContact CZ-CG 4.43Å; F301-Y314 HydrophobicContact CE1-CD1 4.46Å; F301-Y314 AromaticContact CZ-CD1 3.98Å; F301-Y314 HydrophobicContact CZ-CD1 3.98Å; F301-Y314 HydrophobicContact CZ-CE1 4.02Å
302K96.2Very high94.2Very high132 Ų13264.9 Ų64.957%0.57435%0.346SS*.SBendtrans-116140.5171.7-169.3172.2179.7175.90110.1Y192 M288Y192-K302 HydrophobicContact CD2-CB 4.06Å; Y192-K302 HydrophobicContact CE2-CB 3.84Å; Y192-K302 HydrophobicContact CE2-CD 3.87Å; M288-K302 HydrophobicContact CE-CD 4.31Å; M288-K302 HydrophobicContact SD-CB 3.77Å; M288-K302 HydrophobicContact SD-CD 4.29Å; M288-K302 HydrophobicContact SD-CG 4.22Å
303G94.6Very high93.2Very high38 Ų3865.2 Ų65.239%0.39235%0.351SS..SBendtrans87.3-133.4172.900000114.3K289K289-G303 PolarHBondContact NZ-O 3.44Å
304D94.8Very high92.5Very high106 Ų10669.4 Ų69.457%0.56737%0.367SS*.  trans-80.4134.5-179.3-179.147.3000110.6P197 G306P197-D304 WeakPolarHBondContact CB-O 3.43Å; D304-G306 PolarHBondContact OD2-N 3.12Å
305P96.2Very high91.7Very high19 Ų1970.8 Ų70.812%0.12337%0.369CS..  trans-73.1-24.9176.328.5-37.3000113.8P198 F199 F301 A309 Y314P198-P305 WeakPolarHBondContact CD-O 3.31Å; F199-P305 WeakPolarHBondContact CA-O 3.24Å; F199-P305 VanDerWaalsContact CB-O 3.3Å; F199-P305 WeakPolarHBondContact CB-O 3.13Å; F199-P305 HydrophobicContact CD2-CB 4.05Å; F199-P305 WeakPolarHBondContact CD2-O 3.22Å; F199-P305 PolarHBondContact N-O 2.84Å; F301-P305 HydrophobicContact CE1-CB 4.49Å; F301-P305 HydrophobicContact CE2-CB 3.73Å; F301-P305 HydrophobicContact CE2-CG 4.43Å; F301-P305 HydrophobicContact CZ-CB 3.67Å; F301-P305 HydrophobicContact CZ-CG 4.43Å; P305-A309 HydrophobicContact CB-CB 3.73Å; P305-A309 HydrophobicContact CG-CB 3.95Å; P305-Y314 HydrophobicContact CB-CE1 3.83Å; P305-Y314 HydrophobicContact CG-CE1 3.79Å
306G97.2Very high90.7Very high9 Ų973.8 Ų73.89%0.09339%0.391CS..  trans99169.1-176.200000114.2D304 M308 A309D304-G306 PolarHBondContact OD2-N 3.12Å; G306-M308 PolarHBondContact O-N 2.85Å; G306-A309 VanDerWaalsContact O-CB 3.29Å; G306-A309 WeakPolarHBondContact O-CB 3.43Å; G306-A309 PolarHBondContact O-N 3.34Å
307P97.3Very high90.5Very high115 Ų11575.9 Ų75.975%0.74739%0.394SS*.THydrogen-bonded Turntrans-70.7-26.4-164.527.2-36.1000114.8F199 A309F199-P307 WeakPolarHBondContact O-CD 3.25Å; P307-A309 VanDerWaalsContact C-N 3.28Å; P307-A309 PolarHBondContact O-N 3Å
308M97.3Very high90.2Very high65 Ų6573.9 Ų73.932%0.3239%0.393SS..THydrogen-bonded Turntrans-92.915.1-179.5-52.6175.973.100112.4D166 P168 F199 C201 H294 G306D166-M308 VanDerWaalsContact O-CE 3.29Å; D166-M308 WeakPolarHBondContact O-CE 3.29Å; P168-M308 HydrophobicContact CG-CB 3.97Å; P168-M308 HydrophobicContact CG-CE 4.05Å; P168-M308 HydrophobicContact CG-SD 4.2Å; F199-M308 HydrophobicContact CB-CB 4.18Å; F199-M308 WeakPolarHBondContact O-CA 3.23Å; F199-M308 VanDerWaalsContact O-CB 3.23Å; F199-M308 WeakPolarHBondContact O-CB 3.5Å; F199-M308 WeakPolarHBondContact O-CG 3.44Å; F199-M308 PolarHBondContact O-N 3.45Å; C201-M308 HydrophobicContact CB-SD 4.13Å; H294-M308 PolarHBondContact CE1-O 2.89Å; G306-M308 PolarHBondContact O-N 2.85Å
309A95.8Very high89.8Confident24 Ų2475.9 Ų75.920%0.19840%0.401CS..  trans-65136.8-175.300000110.9F199 P305 G306 P307 Y314F199-A309 HydrophobicContact CB-CB 3.93Å; F199-A309 HydrophobicContact CD2-CB 3.79Å; F199-A309 HydrophobicContact CG-CB 3.89Å; P305-A309 HydrophobicContact CB-CB 3.73Å; P305-A309 HydrophobicContact CG-CB 3.95Å; G306-A309 VanDerWaalsContact O-CB 3.29Å; G306-A309 WeakPolarHBondContact O-CB 3.43Å; G306-A309 PolarHBondContact O-N 3.34Å; P307-A309 VanDerWaalsContact C-N 3.28Å; P307-A309 PolarHBondContact O-N 3Å; A309-Y314 WeakPolarHBondContact CB-OH 3.25Å
310P92.7Very high89.3Confident20 Ų2080.4 Ų80.413%0.1343%0.425CS..  trans-64.6147.3-178.922.2-28.5000110.6F199 V291 R292 G312F199-P310 HydrophobicContact CE1-CG 4.09Å; F199-P310 HydrophobicContact CZ-CG 4.15Å; V291-P310 HydrophobicContact CG2-CG 4.17Å; R292-P310 WeakPolarHBondContact O-CG 3.35Å; P310-G312 PolarHBondContact O-N 3.03Å; P310-G312 VanDerWaalsContact O-N 3.09Å
311K82.6Confident88.8Confident222 Ų22284.2 Ų84.297%0.96545%0.447SS*.SBendtrans-69.7106170.1-63.2-176.7-177.4179.90107.7
312G68.8Low88.2Confident46 Ų4689.3 Ų89.347%0.47448%0.475SS..SBendtrans-168.3175.4-174.300000113.6P310 Y314P310-G312 PolarHBondContact O-N 3.03Å; P310-G312 VanDerWaalsContact O-N 3.09Å; G312-Y314 WeakPolarHBondContact O-CD2 3.35Å; G312-Y314 WeakPolarHBondContact O-CE2 3.47Å
313K74.6Confident87.6Confident165 Ų16586.3 Ų86.372%0.71747%0.468SS*.  trans-74.6126.9173.4-69.3-172.1178.8-1760109.6Y315K313-Y315 HydrophobicContact CB-CE2 4.22Å
314Y82.8Confident87.1Confident94 Ų9490 Ų9037%0.36947%0.474SS..  trans-91.2135.2168.3-66.9-96.7000108.1V291 F301 P305 A309 G312V291-Y314 HydrophobicContact CB-CD1 3.92Å; V291-Y314 HydrophobicContact CB-CE1 3.91Å; V291-Y314 HydrophobicContact CG1-CD1 4.46Å; V291-Y314 HydrophobicContact CG1-CE1 4.08Å; V291-Y314 HydrophobicContact CG2-CD1 4.25Å; V291-Y314 HydrophobicContact CG2-CE1 4.03Å; F301-Y314 HydrophobicContact CE1-CD1 4.46Å; F301-Y314 AromaticContact CZ-CD1 3.98Å; F301-Y314 HydrophobicContact CZ-CD1 3.98Å; F301-Y314 HydrophobicContact CZ-CE1 4.02Å; P305-Y314 HydrophobicContact CB-CE1 3.83Å; P305-Y314 HydrophobicContact CG-CE1 3.79Å; A309-Y314 WeakPolarHBondContact CB-OH 3.25Å; G312-Y314 WeakPolarHBondContact O-CD2 3.35Å; G312-Y314 WeakPolarHBondContact O-CE2 3.47Å
315Y78.4Confident86.4Confident133 Ų13388.7 Ų88.752%0.52247%0.466SS..BIsolated β-bridgetrans-107149.3173.6-53.8-86.4000108.6K289 S290 K313K289-Y315 CarbonylContact C-O 3.54Å; K289-Y315 VanDerWaalsContact CA-O 3.25Å; K289-Y315 WeakPolarHBondContact CA-O 3.38Å; S290-Y315 PolarHBondContact N-O 2.75Å; S290-Y315 PolarHBondContact O-N 2.77Å; K313-Y315 HydrophobicContact CB-CE2 4.22Å
316T73.7Confident85.6Confident152 Ų15295 Ų9593%0.93350%0.497SS*.  trans-122.90174.951.10000108.9K289K289-T316 HydrophobicContact CG-CG2 4.25Å

Retrieved 316 of 316 residues in 94.3 ms (Link to these results)

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