A0A087YLT7_POEFO Loading...

N(4)-(Beta-N-acetylglucosaminyl)-L-asparaginase

Cleaves the GlcNAc-Asn bond which joins oligosaccharides to the peptide of asparagine-linked glycoproteins.

AlphaFold DB , UniProt , Accession A0A087YLT7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 329 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
1M33.6Very low49.4Very low231 Ų231135.8 Ų135.8100%1.13866%0.657SS**  089.50-121.817617600107.1Y3M1-Y3 PolarHBondContact O-N 3.38Å
2L30.6Very low53.3Low169 Ų169127.3 Ų127.389%0.88562%0.621SS**  trans-82.7106.4175.4-90.3136.1000107F4L2-F4 PolarHBondContact O-N 3.26Å; L2-F4 VanDerWaalsContact O-N 3.11Å
3Y32.2Very low56.7Low218 Ų218117.5 Ų117.586%0.85557%0.573SS**  trans-63.9106166.7-95.7-98.6000107.7M1 R5M1-Y3 PolarHBondContact O-N 3.38Å; Y3-R5 PolarHBondContact O-N 3.11Å
4F32.4Very low59.6Low188 Ų188109.1 Ų109.183%0.82553%0.532SS*.  trans-59.4119.8157.9-88.5-93.8000106.7L2 L6L2-F4 PolarHBondContact O-N 3.26Å; L2-F4 VanDerWaalsContact O-N 3.11Å; F4-L6 VanDerWaalsContact C-N 3.33Å; F4-L6 PolarHBondContact O-N 2.6Å
5R34.8Very low62.2Low224 Ų224101.9 Ų101.985%0.84550%0.497SS*.  trans-63.3102.2161.7-79.2-172.6178.3-168.4-0.7106.2Y3 G7Y3-R5 PolarHBondContact O-N 3.11Å; R5-G7 PolarHBondContact O-N 2.81Å
6L42Very low64.3Low149 Ų14995.6 Ų95.678%0.7847%0.466SS*.PPolyproline II helixtrans-53124.9159.9-76.9152.8000106.4F4 H8F4-L6 VanDerWaalsContact C-N 3.33Å; F4-L6 PolarHBondContact O-N 2.6Å; L6-H8 PolarHBondContact O-N 3.43Å
7G45.6Very low66.1Low48 Ų4890 Ų9050%0.49544%0.439SS..PPolyproline II helixtrans-48.3133-177.900000110.5R5 T9 H295R5-G7 PolarHBondContact O-N 2.81Å; G7-T9 PolarHBondContact O-N 3Å; G7-H295 PolarHBondContact O-NE2 3.28Å
8H51Low67.7Low128 Ų12887.1 Ų87.159%0.59342%0.422SS*.PPolyproline II helixtrans-59136.2-177.3-77.9-9.4000110.9L6 E317L6-H8 PolarHBondContact O-N 3.43Å; H8-E317 WeakPolarHBondContact CB-OE1 3.5Å
9T67.8Low69.1Low89 Ų8985.7 Ų85.755%0.54642%0.421SS..  trans-87.6110.2179.7490000108.3G7 T293G7-T9 PolarHBondContact O-N 3Å; T9-T293 VanDerWaalsContact CB-O 3.23Å; T9-T293 WeakPolarHBondContact CB-O 3.25Å; T9-T293 VanDerWaalsContact CG2-O 3.26Å; T9-T293 WeakPolarHBondContact CG2-O 3.42Å
10S82.1Confident70.4Confident5 Ų582 Ų824%0.03540%0.402CS..  trans-114.6100-179.7490000109.8D315 S316S10-D315 WeakPolarHBondContact OG-CB 2.98Å; S10-D315 VanDerWaalsContact OG-CG 3.22Å; S10-D315 PolarHBondContact OG-OD2 2.97Å; S10-S316 WeakPolarHBondContact CB-OG 3.47Å
11L91.8Very high71.6Confident45 Ų4584.3 Ų84.324%0.23641%0.41CS..SBendtrans-113.7144.8171.5-68.3178.3000109.8L13 V195 S316L11-L13 HydrophobicContact CD2-CB 4.12Å; L11-V195 HydrophobicContact CD2-CB 3.84Å; L11-V195 HydrophobicContact CD2-CG1 3.5Å; L11-V195 VanDerWaalsContact CD2-CG1 3.5Å; L11-S316 WeakPolarHBondContact O-CB 3.45Å; L11-S316 PolarHBondContact O-OG 2.75Å
12P96Very high74.6Confident34 Ų3475.6 Ų75.622%0.22137%0.372CS..SBendcis-67.8164.6-1.926.6-30.9000113W28 L31 V195 D315 S316P12-W28 HydrophobicContact CB-CH2 4.34Å; P12-W28 HydrophobicContact CB-CZ3 4.09Å; P12-W28 HydrophobicContact CG-CH2 3.65Å; P12-W28 HydrophobicContact CG-CZ3 3.86Å; P12-W28 WeakPolarHBondContact O-CH2 3.01Å; P12-W28 VanDerWaalsContact O-CZ3 3.29Å; P12-W28 WeakPolarHBondContact O-CZ3 3.45Å; P12-L31 HydrophobicContact CB-CD1 3.99Å; P12-V195 CarbonylContact C-O 3.55Å; P12-V195 VanDerWaalsContact CA-O 3.25Å; P12-V195 WeakPolarHBondContact CA-O 3.49Å; P12-V195 VanDerWaalsContact CB-O 3.25Å; P12-V195 WeakPolarHBondContact CB-O 3.38Å; P12-D315 WeakPolarHBondContact O-CA 3.15Å; P12-S316 PolarHBondContact O-N 3.29Å
13L97.3Very high77.7Confident0 Ų067.6 Ų67.60%033%0.33CS..EExtended strand (participates in β ladder)trans-136.6135.6-178173.770.8000110.1L11 A194 V195 A290 Y296 V313 D315L11-L13 HydrophobicContact CD2-CB 4.12Å; L13-A194 CarbonylContact O-C 3.55Å; L13-A194 WeakPolarHBondContact O-CA 3.26Å; L13-V195 HydrophobicContact CB-CB 4.19Å; L13-V195 HydrophobicContact CB-CG2 4.32Å; L13-V195 HydrophobicContact CD2-CG2 4.33Å; L13-V195 PolarHBondContact N-O 2.8Å; L13-V195 PolarHBondContact O-N 2.72Å; L13-A290 HydrophobicContact CD2-CB 3.91Å; L13-Y296 HydrophobicContact CD1-CD1 3.81Å; L13-Y296 HydrophobicContact CD1-CE1 4.11Å; L13-Y296 HydrophobicContact CD2-CD1 3.97Å; L13-Y296 HydrophobicContact CD2-CG 4.48Å; L13-V313 HydrophobicContact CD1-CG1 3.56Å; L13-D315 HydrophobicContact CD1-CB 3.99Å
14V97.8Very high80.8Confident0 Ų057.2 Ų57.20%029%0.29CS..EExtended strand (participates in β ladder)trans-124.2132.6165.6174.40000108.3T24 A27 W28 L31 M192 I193 A194 V313 A314V14-T24 HydrophobicContact CB-CG2 4.47Å; V14-T24 HydrophobicContact CG1-CG2 3.95Å; V14-A27 HydrophobicContact CG1-CB 3.68Å; V14-A27 HydrophobicContact CG2-CB 4.14Å; V14-W28 HydrophobicContact CB-CE3 4.43Å; V14-W28 HydrophobicContact CG2-CE3 4.03Å; V14-L31 HydrophobicContact CG2-CD1 3.54Å; V14-L31 HydrophobicContact CG2-CG 4.45Å; V14-M192 HydrophobicContact CG1-CG 4.4Å; V14-M192 HydrophobicContact CG1-SD 4.36Å; V14-I193 WeakPolarHBondContact CA-O 3.29Å; V14-A194 HydrophobicContact CG2-CB 4.44Å; V14-V313 CarbonylContact O-C 3.59Å; V14-V313 VanDerWaalsContact O-CA 3.32Å; V14-V313 WeakPolarHBondContact O-CA 3.3Å; V14-A314 PolarHBondContact N-O 2.75Å; V14-A314 PolarHBondContact O-N 2.95Å
15I97.4Very high83.9Confident0 Ų050.4 Ų50.40%027%0.268CS..EExtended strand (participates in β ladder)trans-134.2134.3173.3-178.6171.8000109.3M192 I193 I288 A290 Y296 Y311 M312 V313I15-M192 WeakPolarHBondContact O-CA 3.35Å; I15-I193 HydrophobicContact CG2-CB 3.69Å; I15-I193 HydrophobicContact CG2-CD1 3.99Å; I15-I193 HydrophobicContact CG2-CG1 4.31Å; I15-I193 HydrophobicContact CG2-CG2 4.36Å; I15-I193 PolarHBondContact N-O 2.6Å; I15-I193 PolarHBondContact O-N 3.49Å; I15-I288 HydrophobicContact CB-CD1 4.45Å; I15-I288 HydrophobicContact CD1-CB 3.88Å; I15-I288 HydrophobicContact CD1-CD1 4.45Å; I15-I288 HydrophobicContact CD1-CG2 4.01Å; I15-I288 HydrophobicContact CG1-CB 4.21Å; I15-I288 HydrophobicContact CG1-CD1 3.86Å; I15-I288 HydrophobicContact CG1-CG2 4.26Å; I15-I288 HydrophobicContact CG2-CD1 4.19Å; I15-A290 HydrophobicContact CG2-CB 4.32Å; I15-Y296 HydrophobicContact CD1-CD2 4.08Å; I15-Y296 HydrophobicContact CD1-CG 4.3Å; I15-Y311 HydrophobicContact CD1-CD2 3.63Å; I15-Y311 HydrophobicContact CD1-CE2 3.7Å; I15-Y311 HydrophobicContact CG1-CD2 3.88Å; I15-Y311 HydrophobicContact CG1-CE2 4.37Å; I15-M312 WeakPolarHBondContact CA-O 3.45Å; I15-V313 HydrophobicContact CB-CG2 4.37Å; I15-V313 HydrophobicContact CD1-CG2 4.11Å; I15-V313 HydrophobicContact CG1-CG2 4Å
16N96.1Very high86.9Confident2 Ų240.6 Ų40.61%0.01124%0.235CC..EExtended strand (participates in β ladder)trans-135.6152.2170.471.9-83.5000112.1W18 T24 G191 M192 Y311 M312N16-W18 PolarHBondContact ND2-O 3.38Å; N16-T24 WeakPolarHBondContact OD1-CB 3.23Å; N16-T24 PolarHBondContact OD1-OG1 3.13Å; N16-G191 CarbonylContact C-O 3.5Å; N16-G191 WeakPolarHBondContact CA-O 3.44Å; N16-G191 VanDerWaalsContact CB-O 3.29Å; N16-G191 WeakPolarHBondContact CB-O 3.36Å; N16-M192 HydrophobicContact CB-CB 4.2Å; N16-M192 HydrophobicContact CB-CE 3.86Å; N16-M192 HydrophobicContact CB-CG 4.28Å; N16-Y311 WeakPolarHBondContact O-CA 3.19Å; N16-Y311 WeakPolarHBondContact O-CB 3.26Å; N16-M312 PolarHBondContact N-O 3.1Å; N16-M312 PolarHBondContact O-N 3.27Å; N16-M312 WeakPolarHBondContact OD1-CB 3.34Å
17T95.5Very high89.6Confident0 Ų033.5 Ų33.50%020%0.198CC..EExtended strand (participates in β ladder)trans-66.4142.417553.70000110I189 G191 T240 I288 F309T17-I189 VanDerWaalsContact OG1-CG2 3.29Å; T17-I189 WeakPolarHBondContact OG1-CG2 3.16Å; T17-G191 PolarHBondContact N-O 3.4Å; T17-G191 PolarHBondContact OG1-N 3.28Å; T17-G191 VanDerWaalsContact OG1-N 3.08Å; T17-G191 PolarHBondContact OG1-O 2.96Å; T17-T240 HydrophobicContact CG2-CG2 3.96Å; T17-I288 HydrophobicContact CG2-CB 4.47Å; T17-I288 HydrophobicContact CG2-CD1 3.76Å; T17-I288 HydrophobicContact CG2-CG1 3.69Å; T17-I288 HydrophobicContact CG2-CG2 4.07Å; T17-F309 HydrophobicContact CG2-CZ 4.03Å
18W94.9Very high92.1Very high37 Ų3731.8 Ų31.814%0.1418%0.177CC..SBendtrans69.6161.9175-58.282.6000115N16 F20 I189 T240 F284 L306 F309 H310 M312N16-W18 PolarHBondContact ND2-O 3.38Å; W18-F20 HydrophobicContact CB-CD1 4.4Å; W18-F20 HydrophobicContact CB-CD2 4.2Å; W18-F20 HydrophobicContact CB-CE1 4.04Å; W18-F20 HydrophobicContact CB-CE2 3.93Å; W18-F20 HydrophobicContact CB-CG 4.44Å; W18-F20 HydrophobicContact CB-CZ 3.79Å; W18-F20 PolarHBondContact O-N 3.38Å; W18-I189 HydrophobicContact CB-CG2 3.87Å; W18-I189 HydrophobicContact CD2-CD1 3.81Å; W18-I189 HydrophobicContact CD2-CG1 4.47Å; W18-I189 HydrophobicContact CG-CB 4.4Å; W18-I189 HydrophobicContact CG-CD1 3.81Å; W18-I189 HydrophobicContact CG-CG1 4.02Å; W18-I189 HydrophobicContact CG-CG2 3.67Å; W18-I189 HydrophobicContact CZ2-CD1 3.77Å; W18-T240 PolarHBondContact NE1-OG1 3.23Å; W18-F284 HydrophobicContact CH2-CE2 4.18Å; W18-F284 AromaticContact CH2-CZ 3.56Å; W18-F284 HydrophobicContact CH2-CZ 3.56Å; W18-F284 HydrophobicContact CZ2-CE1 4.13Å; W18-F284 HydrophobicContact CZ2-CE2 4.48Å; W18-F284 AromaticContact CZ2-CZ 3.51Å; W18-F284 HydrophobicContact CZ2-CZ 3.51Å; W18-L306 HydrophobicContact CH2-CD1 3.8Å; W18-L306 HydrophobicContact CZ3-CD1 4.38Å; W18-F309 AromaticContact CD1-CE2 3.91Å; W18-F309 HydrophobicContact CD2-CE2 4.16Å; W18-F309 AromaticContact CE2-CE2 3.76Å; W18-F309 HydrophobicContact CG-CE2 4.34Å; W18-F309 HydrophobicContact CZ2-CD2 4.25Å; W18-F309 HydrophobicContact CZ2-CE2 4.2Å; W18-F309 AromaticContact NE1-CE2 3.56Å; W18-H310 WeakPolarHBondContact CA-O 3.47Å; W18-H310 PolarHBondContact N-O 3.5Å; W18-M312 WeakPolarHBondContact O-CG 3.42Å
19P94.4Very high94.3Very high61 Ų6131.4 Ų31.440%0.39618%0.175SC..SBendtrans-75.141.6-171.931.3-37.1000114.3K21 L323P19-K21 VanDerWaalsContact C-N 3.33Å; P19-K21 PolarHBondContact O-N 2.88Å; P19-L323 HydrophobicContact CB-CD1 3.75Å
20F94.3Very high95.7Very high11 Ų1127.8 Ų27.85%0.04815%0.154CC..  trans-83.874.2-178.7-54.6-26.6000111.8W18 S22 A23 T24 C48 C53 D54 I189W18-F20 HydrophobicContact CB-CD1 4.4Å; W18-F20 HydrophobicContact CB-CD2 4.2Å; W18-F20 HydrophobicContact CB-CE1 4.04Å; W18-F20 HydrophobicContact CB-CE2 3.93Å; W18-F20 HydrophobicContact CB-CG 4.44Å; W18-F20 HydrophobicContact CB-CZ 3.79Å; W18-F20 PolarHBondContact O-N 3.38Å; F20-S22 VanDerWaalsContact C-N 3.28Å; F20-S22 PolarHBondContact O-N 2.9Å; F20-A23 HydrophobicContact CB-CB 4.1Å; F20-A23 WeakPolarHBondContact O-CB 3.36Å; F20-A23 PolarHBondContact O-N 2.82Å; F20-T24 PolarHBondContact O-N 3.22Å; F20-T24 PolarHBondContact O-OG1 2.91Å; F20-C48 VanDerWaalsContact CB-SG 3.56Å; F20-C48 WeakPolarHBondContact CD2-SG 3.29Å; F20-C53 HydrophobicContact CD1-CB 3.88Å; F20-C53 HydrophobicContact CD2-CB 3.78Å; F20-C53 HydrophobicContact CE1-CB 3.81Å; F20-C53 HydrophobicContact CE2-CB 3.59Å; F20-C53 HydrophobicContact CG-CB 3.91Å; F20-C53 HydrophobicContact CZ-CB 3.67Å; F20-D54 HydrophobicContact CE1-CB 4.1Å; F20-D54 WeakPolarHBondContact CE1-OD2 3.34Å; F20-D54 HydrophobicContact CZ-CB 4.11Å; F20-I189 HydrophobicContact CD2-CG2 3.96Å; F20-I189 HydrophobicContact CE2-CB 4.06Å; F20-I189 HydrophobicContact CE2-CG2 3.24Å; F20-I189 WeakPolarHBondContact CE2-O 3.36Å; F20-I189 HydrophobicContact CZ-CG2 4Å
21K95.9Very high96.4Very high131 Ų13128.4 Ų28.457%0.5716%0.156SC*.Hα-helixtrans-58.2-36.9-175.4-172.6177.8-177.51790113.6P19 A25 M312 A321P19-K21 VanDerWaalsContact C-N 3.33Å; P19-K21 PolarHBondContact O-N 2.88Å; K21-A25 VanDerWaalsContact O-CB 3.3Å; K21-A25 WeakPolarHBondContact O-CB 3.33Å; K21-A25 PolarHBondContact O-N 3.22Å; K21-M312 HydrophobicContact CB-CE 3.92Å; K21-M312 HydrophobicContact CG-CE 3.89Å; K21-A321 HydrophobicContact CG-CB 3.83Å
22S96.4Very high96.6Very high48 Ų4831 Ų3134%0.33617%0.167SC..Hα-helixtrans-65.4-40.8179.553.60000111.9F20 A25 A26 D51F20-S22 VanDerWaalsContact C-N 3.28Å; F20-S22 PolarHBondContact O-N 2.9Å; S22-A25 PolarHBondContact O-N 2.91Å; S22-A26 WeakPolarHBondContact O-CB 3.36Å; S22-A26 PolarHBondContact O-N 3.36Å; S22-D51 WeakPolarHBondContact CB-OD2 3.36Å; S22-D51 PolarHBondContact OG-OD2 2.98Å
23A96.5Very high96.6Very high1 Ų133.2 Ų33.21%0.00818%0.184CC..Hα-helixtrans-61.7-49.417600000112F20 A25 A26 A27 G44 C48 M192F20-A23 HydrophobicContact CB-CB 4.1Å; F20-A23 WeakPolarHBondContact O-CB 3.36Å; F20-A23 PolarHBondContact O-N 2.82Å; A23-A25 VanDerWaalsContact C-N 3.3Å; A23-A25 PolarHBondContact O-N 2.65Å; A23-A26 PolarHBondContact O-N 2.59Å; A23-A27 PolarHBondContact O-N 2.8Å; A23-G44 WeakPolarHBondContact CB-O 3.45Å; A23-G44 WeakPolarHBondContact O-CA 3.28Å; A23-C48 HydrophobicContact CB-CB 4.36Å; A23-C48 VanDerWaalsContact CB-SG 3.59Å; A23-M192 HydrophobicContact CB-CE 3.91Å
24T97.3Very high96.5Very high0 Ų036.6 Ų36.60%022%0.219CC..Hα-helixtrans-59.7-42.5176.2-290000111.5V14 N16 F20 W28 M312 A314 A321V14-T24 HydrophobicContact CB-CG2 4.47Å; V14-T24 HydrophobicContact CG1-CG2 3.95Å; N16-T24 WeakPolarHBondContact OD1-CB 3.23Å; N16-T24 PolarHBondContact OD1-OG1 3.13Å; F20-T24 PolarHBondContact O-N 3.22Å; F20-T24 PolarHBondContact O-OG1 2.91Å; T24-W28 VanDerWaalsContact O-CB 3.24Å; T24-W28 WeakPolarHBondContact O-CB 3.43Å; T24-W28 PolarHBondContact O-N 2.91Å; T24-M312 HydrophobicContact CG2-CB 4.08Å; T24-M312 WeakPolarHBondContact OG1-CB 3.49Å; T24-A314 HydrophobicContact CG2-CB 3.86Å; T24-A321 HydrophobicContact CG2-CB 3.95Å
25A97.6Very high96.5Very high45 Ų4537.9 Ų37.937%0.37223%0.232SC..Hα-helixtrans-66.8-39-179.100000112.2K21 S22 A23 H29K21-A25 VanDerWaalsContact O-CB 3.3Å; K21-A25 WeakPolarHBondContact O-CB 3.33Å; K21-A25 PolarHBondContact O-N 3.22Å; S22-A25 PolarHBondContact O-N 2.91Å; A23-A25 VanDerWaalsContact C-N 3.3Å; A23-A25 PolarHBondContact O-N 2.65Å; A25-H29 VanDerWaalsContact O-CB 3.26Å; A25-H29 WeakPolarHBondContact O-CB 3.18Å; A25-H29 PolarHBondContact O-N 3.23Å
26A97.9Very high96.5Very high18 Ų1840.2 Ų40.215%0.14925%0.248CC..Hα-helixtrans-64.1-48.2175.900000111.5S22 A23 W28 H29 A30 R47S22-A26 WeakPolarHBondContact O-CB 3.36Å; S22-A26 PolarHBondContact O-N 3.36Å; A23-A26 PolarHBondContact O-N 2.59Å; A26-W28 PolarHBondContact O-N 2.79Å; A26-H29 PolarHBondContact O-N 3.36Å; A26-A30 PolarHBondContact O-N 2.91Å; A26-R47 HydrophobicContact CB-CB 3.89Å; A26-R47 HydrophobicContact CB-CG 4.14Å
27A97.9Very high96.6Very high0 Ų040.4 Ų40.40%025%0.25CC..Hα-helixtrans-61.7-43.6175.900000112.7V14 A23 A30 L31 A40 M192V14-A27 HydrophobicContact CG1-CB 3.68Å; V14-A27 HydrophobicContact CG2-CB 4.14Å; A23-A27 PolarHBondContact O-N 2.8Å; A27-A30 WeakPolarHBondContact O-CB 3.25Å; A27-A30 PolarHBondContact O-N 3.48Å; A27-L31 PolarHBondContact O-N 3.28Å; A27-L31 VanDerWaalsContact O-N 3.15Å; A27-A40 WeakPolarHBondContact CA-O 3.48Å; A27-A40 HydrophobicContact CB-CB 4.36Å; A27-A40 WeakPolarHBondContact CB-O 3.23Å; A27-A40 WeakPolarHBondContact O-CB 3.17Å; A27-M192 HydrophobicContact CB-CE 4.05Å; A27-M192 HydrophobicContact CB-SD 3.47Å; A27-M192 WeakPolarHBondContact CB-SD 3.35Å
28W97.8Very high96.7Very high13 Ų1341 Ų415%0.04925%0.253CS..Hα-helixtrans-60.7-47.2176.1-173.3-112000111.6P12 V14 T24 A26 A30 L31 Q32 A314 D315 D319P12-W28 HydrophobicContact CB-CH2 4.34Å; P12-W28 HydrophobicContact CB-CZ3 4.09Å; P12-W28 HydrophobicContact CG-CH2 3.65Å; P12-W28 HydrophobicContact CG-CZ3 3.86Å; P12-W28 WeakPolarHBondContact O-CH2 3.01Å; P12-W28 VanDerWaalsContact O-CZ3 3.29Å; P12-W28 WeakPolarHBondContact O-CZ3 3.45Å; V14-W28 HydrophobicContact CB-CE3 4.43Å; V14-W28 HydrophobicContact CG2-CE3 4.03Å; T24-W28 VanDerWaalsContact O-CB 3.24Å; T24-W28 WeakPolarHBondContact O-CB 3.43Å; T24-W28 PolarHBondContact O-N 2.91Å; A26-W28 PolarHBondContact O-N 2.79Å; W28-A30 VanDerWaalsContact C-N 3.29Å; W28-A30 PolarHBondContact O-N 2.91Å; W28-L31 PolarHBondContact O-N 3.45Å; W28-Q32 HydrophobicContact CD2-CG 4.5Å; W28-Q32 HydrophobicContact CZ2-CG 4.48Å; W28-Q32 WeakPolarHBondContact O-CG 3.46Å; W28-Q32 PolarHBondContact O-N 2.94Å; W28-A314 HydrophobicContact CB-CB 3.94Å; W28-A314 HydrophobicContact CD2-CB 3.7Å; W28-A314 HydrophobicContact CE3-CB 3.75Å; W28-A314 HydrophobicContact CG-CB 3.79Å; W28-A314 WeakPolarHBondContact CZ3-O 3.2Å; W28-D315 VanDerWaalsContact CH2-CA 3.43Å; W28-D315 WeakPolarHBondContact CH2-O 3.35Å; W28-D315 VanDerWaalsContact CZ2-C 3.47Å; W28-D315 VanDerWaalsContact CZ2-O 3.26Å; W28-D315 WeakPolarHBondContact CZ2-O 3.43Å; W28-D319 PolarHBondContact NE1-O 3.06Å; W28-D319 PolarHBondContact NE1-OD1 3.18Å
29H97.9Very high96.9Very high120 Ų12041.7 Ų41.756%0.55626%0.259SS*.Hα-helixtrans-60.1-38.7177.5179.2-85.2000112.3A25 A26 Q32 S33A25-H29 VanDerWaalsContact O-CB 3.26Å; A25-H29 WeakPolarHBondContact O-CB 3.18Å; A25-H29 PolarHBondContact O-N 3.23Å; A26-H29 PolarHBondContact O-N 3.36Å; H29-Q32 PolarHBondContact O-N 2.9Å; H29-S33 PolarHBondContact CE1-OG 3.23Å; H29-S33 VanDerWaalsContact O-CB 3.31Å; H29-S33 WeakPolarHBondContact O-CB 3.48Å; H29-S33 PolarHBondContact O-N 2.99Å; H29-S33 PolarHBondContact O-OG 2.86Å
30A97.8Very high97.1Very high12 Ų1238.8 Ų38.810%0.09924%0.24CC..Hα-helixtrans-61.3-45.5175.400000111.8A26 A27 W28 S33 G35 A40 E43A26-A30 PolarHBondContact O-N 2.91Å; A27-A30 WeakPolarHBondContact O-CB 3.25Å; A27-A30 PolarHBondContact O-N 3.48Å; W28-A30 VanDerWaalsContact C-N 3.29Å; W28-A30 PolarHBondContact O-N 2.91Å; A30-S33 PolarHBondContact O-N 3.2Å; A30-G35 WeakPolarHBondContact O-CA 3.5Å; A30-G35 PolarHBondContact O-N 3.43Å; A30-A40 HydrophobicContact CB-CB 4.33Å; A30-E43 HydrophobicContact CB-CB 4.29Å; A30-E43 HydrophobicContact CB-CG 4.23Å
31L96.3Very high97.3Very high18 Ų1838.2 Ų38.29%0.09424%0.238CC..Hα-helixtrans-63.2-44.8174.5-67.4-178.5000112.2P12 V14 A27 W28 S33 G34 V37 A40 A194P12-L31 HydrophobicContact CB-CD1 3.99Å; V14-L31 HydrophobicContact CG2-CD1 3.54Å; V14-L31 HydrophobicContact CG2-CG 4.45Å; A27-L31 PolarHBondContact O-N 3.28Å; A27-L31 VanDerWaalsContact O-N 3.15Å; W28-L31 PolarHBondContact O-N 3.45Å; L31-S33 PolarHBondContact O-N 2.96Å; L31-G34 PolarHBondContact O-N 2.9Å; L31-V37 HydrophobicContact CD2-CG1 4.35Å; L31-A40 HydrophobicContact CD1-CB 4.27Å; L31-A40 HydrophobicContact CD2-CB 3.57Å; L31-A40 HydrophobicContact CG-CB 3.56Å; L31-A194 HydrophobicContact CD1-CB 4.44Å
32Q95.5Very high97.4Very high99 Ų9933.6 Ų33.646%0.46322%0.218SC..Hα-helixtrans-62.7-31.3179.1-72.4-170.9-42.400112.9W28 H29 G34 D319W28-Q32 HydrophobicContact CD2-CG 4.5Å; W28-Q32 HydrophobicContact CZ2-CG 4.48Å; W28-Q32 WeakPolarHBondContact O-CG 3.46Å; W28-Q32 PolarHBondContact O-N 2.94Å; H29-Q32 PolarHBondContact O-N 2.9Å; Q32-G34 PolarHBondContact O-N 2.74Å; Q32-D319 PolarHBondContact NE2-OD1 3.44Å
33S96.1Very high97.5Very high81 Ų8136 Ų3657%0.56622%0.224SC*.THydrogen-bonded Turntrans-77.42177.1-58.10000113.2H29 A30 L31H29-S33 PolarHBondContact CE1-OG 3.23Å; H29-S33 VanDerWaalsContact O-CB 3.31Å; H29-S33 WeakPolarHBondContact O-CB 3.48Å; H29-S33 PolarHBondContact O-N 2.99Å; H29-S33 PolarHBondContact O-OG 2.86Å; A30-S33 PolarHBondContact O-N 3.2Å; L31-S33 PolarHBondContact O-N 2.96Å
34G95.3Very high97.5Very high71 Ų7136 Ų3673%0.73222%0.224SC*.THydrogen-bonded Turntrans8415-178.500000114.2L31 Q32L31-G34 PolarHBondContact O-N 2.9Å; Q32-G34 PolarHBondContact O-N 2.74Å
35G97.1Very high97.5Very high28 Ų2836 Ų3629%0.28922%0.224SC..  trans-67.8160.8170.500000112.1A30A30-G35 WeakPolarHBondContact O-CA 3.5Å; A30-G35 PolarHBondContact O-N 3.43Å
36S98Very high97.5Very high48 Ų4834.6 Ų34.634%0.33621%0.213SC..  trans-73.5166.6173.468.90000112L38 D39 A40S36-L38 PolarHBondContact O-N 2.85Å; S36-L38 PolarHBondContact OG-N 3.42Å; S36-D39 WeakPolarHBondContact CB-OD2 3.44Å; S36-D39 PolarHBondContact N-OD2 3Å; S36-D39 PolarHBondContact O-N 3.26Å; S36-D39 VanDerWaalsContact O-N 3.13Å; S36-D39 PolarHBondContact OG-N 3.46Å; S36-D39 PolarHBondContact OG-OD2 3.5Å; S36-A40 PolarHBondContact O-N 2.87Å
37V97.9Very high97.5Very high7 Ų738.8 Ų38.84%0.04222%0.224CC..Hα-helixtrans-59.3-29.7171.1-69.20000113.1L31 V41 A194 D196 H200 A202L31-V37 HydrophobicContact CD2-CG1 4.35Å; V37-V41 WeakPolarHBondContact O-CG2 3.44Å; V37-V41 PolarHBondContact O-N 2.79Å; V37-V41 VanDerWaalsContact O-N 3.14Å; V37-A194 HydrophobicContact CB-CB 4.2Å; V37-A194 HydrophobicContact CG1-CB 4.38Å; V37-D196 HydrophobicContact CG1-CB 3.75Å; V37-H200 WeakPolarHBondContact CG1-O 3.31Å; V37-H200 HydrophobicContact CG2-CB 4.43Å; V37-A202 HydrophobicContact CB-CB 3.84Å; V37-A202 HydrophobicContact CG2-CB 3.8Å; V37-A202 WeakPolarHBondContact O-CB 3.41Å
38L98.5Very high97.3Very high13 Ų1338.8 Ų38.87%0.06822%0.224CC..Hα-helixtrans-68.3-44173.4-75.6172.3000111.6S36 A40 V41 E42 I75 N77 M103 A202S36-L38 PolarHBondContact O-N 2.85Å; S36-L38 PolarHBondContact OG-N 3.42Å; L38-A40 VanDerWaalsContact C-N 3.26Å; L38-A40 PolarHBondContact O-N 2.97Å; L38-V41 PolarHBondContact O-N 3.19Å; L38-E42 WeakPolarHBondContact O-CB 3.44Å; L38-E42 PolarHBondContact O-N 2.84Å; L38-I75 HydrophobicContact CD2-CD1 3.81Å; L38-I75 HydrophobicContact CD2-CG1 3.78Å; L38-N77 HydrophobicContact CD1-CB 4.13Å; L38-N77 HydrophobicContact CD2-CB 4.06Å; L38-N77 HydrophobicContact CG-CB 4.32Å; L38-M103 HydrophobicContact CD1-CE 3.67Å; L38-M103 HydrophobicContact CD2-CE 3.93Å; L38-M103 HydrophobicContact CG-CE 4.44Å; L38-A202 HydrophobicContact CD2-CB 4.05Å; L38-A202 HydrophobicContact CG-CB 4.44Å
39D98.6Very high97.2Very high50 Ų5038.3 Ų38.327%0.26722%0.223SC..Hα-helixtrans-60.9-40177.2-55.1-41.8000110.6S36 E42 E43 R100S36-D39 WeakPolarHBondContact CB-OD2 3.44Å; S36-D39 PolarHBondContact N-OD2 3Å; S36-D39 PolarHBondContact O-N 3.26Å; S36-D39 VanDerWaalsContact O-N 3.13Å; S36-D39 PolarHBondContact OG-N 3.46Å; S36-D39 PolarHBondContact OG-OD2 3.5Å; D39-E42 PolarHBondContact O-N 3.06Å; D39-E43 VanDerWaalsContact O-CB 3.29Å; D39-E43 WeakPolarHBondContact O-CB 3.45Å; D39-E43 VanDerWaalsContact O-CG 3.26Å; D39-E43 WeakPolarHBondContact O-CG 3.44Å; D39-E43 PolarHBondContact O-N 2.89Å; D39-R100 IonicContact OD1-CZ 3.99Å; D39-R100 VanDerWaalsContact OD1-CZ 3.24Å; D39-R100 IonicContact OD1-NH1 2.8Å; D39-R100 PolarHBondContact OD1-NH1 2.87Å; D39-R100 IonicContact OD1-NH2 3.68Å; D39-R100 PolarHBondContact OD1-NH2 3.48Å
40A98.3Very high97.1Very high0 Ų037 Ų370%022%0.223CC..Hα-helixtrans-62.8-47.2176.700000113.1A27 A30 L31 S36 L38 G44 A194A27-A40 WeakPolarHBondContact CA-O 3.48Å; A27-A40 HydrophobicContact CB-CB 4.36Å; A27-A40 WeakPolarHBondContact CB-O 3.23Å; A27-A40 WeakPolarHBondContact O-CB 3.17Å; A30-A40 HydrophobicContact CB-CB 4.33Å; L31-A40 HydrophobicContact CD1-CB 4.27Å; L31-A40 HydrophobicContact CD2-CB 3.57Å; L31-A40 HydrophobicContact CG-CB 3.56Å; S36-A40 PolarHBondContact O-N 2.87Å; L38-A40 VanDerWaalsContact C-N 3.26Å; L38-A40 PolarHBondContact O-N 2.97Å; A40-G44 PolarHBondContact O-N 3.18Å; A40-A194 HydrophobicContact CB-CB 3.84Å
41V98.4Very high97Very high0 Ų039.9 Ų39.90%024%0.237CC..Hα-helixtrans-65.3-42.8177.9171.50000111.3V37 L38 C45 I75 M192 A194 A202V37-V41 WeakPolarHBondContact O-CG2 3.44Å; V37-V41 PolarHBondContact O-N 2.79Å; V37-V41 VanDerWaalsContact O-N 3.14Å; L38-V41 PolarHBondContact O-N 3.19Å; V41-C45 WeakPolarHBondContact O-CB 3.25Å; V41-C45 PolarHBondContact O-N 3.36Å; V41-C45 PolarHBondContact O-SG 3.28Å; V41-I75 HydrophobicContact CB-CD1 4.15Å; V41-I75 HydrophobicContact CB-CG1 4.49Å; V41-I75 HydrophobicContact CG1-CD1 3.92Å; V41-I75 HydrophobicContact CG1-CG1 3.93Å; V41-M192 HydrophobicContact CG2-CG 4.43Å; V41-A194 HydrophobicContact CG2-CB 3.82Å; V41-A202 HydrophobicContact CG2-CB 3.81Å
42E98.5Very high96.8Very high34 Ų3441.7 Ų41.716%0.15925%0.245CC..Hα-helixtrans-61.3-54.8177.4-176-179.3-166.900111.2L38 D39 G44 C45 A46 I75 I96 G97 R100L38-E42 WeakPolarHBondContact O-CB 3.44Å; L38-E42 PolarHBondContact O-N 2.84Å; D39-E42 PolarHBondContact O-N 3.06Å; E42-G44 VanDerWaalsContact C-N 3.3Å; E42-G44 PolarHBondContact O-N 3.32Å; E42-C45 PolarHBondContact O-N 3.36Å; E42-A46 WeakPolarHBondContact O-CB 3.26Å; E42-A46 PolarHBondContact O-N 2.89Å; E42-I75 HydrophobicContact CB-CD1 4.29Å; E42-I96 HydrophobicContact CG-CG2 4.22Å; E42-G97 WeakPolarHBondContact OE1-CA 3.42Å; E42-R100 WeakPolarHBondContact OE2-CD 3.47Å; E42-R100 IonicContact OE2-CZ 2.87Å; E42-R100 IonicContact OE2-NE 3.4Å; E42-R100 IonicContact OE2-NH1 3.51Å; E42-R100 PolarHBondContact OE2-NH1 3.41Å
43E98.1Very high96.5Very high99 Ų9937.4 Ų37.446%0.46323%0.226SC..Hα-helixtrans-60.5-39.9-178.1-74.3-66.9154.600112.1A30 D39 R47A30-E43 HydrophobicContact CB-CB 4.29Å; A30-E43 HydrophobicContact CB-CG 4.23Å; D39-E43 VanDerWaalsContact O-CB 3.29Å; D39-E43 WeakPolarHBondContact O-CB 3.45Å; D39-E43 VanDerWaalsContact O-CG 3.26Å; D39-E43 WeakPolarHBondContact O-CG 3.44Å; D39-E43 PolarHBondContact O-N 2.89Å; E43-R47 VanDerWaalsContact O-CB 3.26Å; E43-R47 WeakPolarHBondContact O-CB 3.49Å; E43-R47 PolarHBondContact O-N 2.88Å
44G97.4Very high96Very high0 Ų039.4 Ų39.40%023%0.23CC..Hα-helixtrans-67.5-45.9177.900000113.5A23 A40 E42 C48A23-G44 WeakPolarHBondContact CB-O 3.45Å; A23-G44 WeakPolarHBondContact O-CA 3.28Å; A40-G44 PolarHBondContact O-N 3.18Å; E42-G44 VanDerWaalsContact C-N 3.3Å; E42-G44 PolarHBondContact O-N 3.32Å; G44-C48 PolarHBondContact O-N 3.3Å
45C97.1Very high95.6Very high0 Ų036.9 Ų36.90%020%0.204CC..Hα-helixtrans-68.1-44.3177-65.80000111.3V41 E42 R47 C48 E49 I96V41-C45 WeakPolarHBondContact O-CB 3.25Å; V41-C45 PolarHBondContact O-N 3.36Å; V41-C45 PolarHBondContact O-SG 3.28Å; E42-C45 PolarHBondContact O-N 3.36Å; C45-R47 VanDerWaalsContact C-N 3.27Å; C45-R47 PolarHBondContact O-N 2.87Å; C45-C48 PolarHBondContact O-N 2.87Å; C45-E49 PolarHBondContact O-N 2.82Å; C45-I96 HydrophobicContact CB-CB 3.92Å; C45-I96 HydrophobicContact CB-CD1 4.28Å; C45-I96 HydrophobicContact CB-CG1 3.77Å; C45-I96 HydrophobicContact CB-CG2 3.84Å
46A97.3Very high95.2Very high16 Ų1636.3 Ų36.313%0.13220%0.195CC..Hα-helixtrans-62-36178.300000111.5E42 C48 E49 V50 I96E42-A46 WeakPolarHBondContact O-CB 3.26Å; E42-A46 PolarHBondContact O-N 2.89Å; A46-C48 VanDerWaalsContact C-N 3.31Å; A46-C48 PolarHBondContact O-N 3.12Å; A46-E49 WeakPolarHBondContact O-CB 3.23Å; A46-E49 PolarHBondContact O-N 3.41Å; A46-V50 WeakPolarHBondContact O-CG2 3.47Å; A46-V50 PolarHBondContact O-N 2.8Å; A46-I96 HydrophobicContact CB-CG2 3.87Å
47R97.3Very high94.8Very high105 Ų10534 Ų3440%0.39618%0.179SC..Hα-helixtrans-57.3-44.8171.4178.157.260.2-175.1-0.9111.5A26 E43 C45 V50 D51A26-R47 HydrophobicContact CB-CB 3.89Å; A26-R47 HydrophobicContact CB-CG 4.14Å; E43-R47 VanDerWaalsContact O-CB 3.26Å; E43-R47 WeakPolarHBondContact O-CB 3.49Å; E43-R47 PolarHBondContact O-N 2.88Å; C45-R47 VanDerWaalsContact C-N 3.27Å; C45-R47 PolarHBondContact O-N 2.87Å; R47-V50 PolarHBondContact O-N 3.02Å; R47-D51 VanDerWaalsContact CD-OD2 3.28Å; R47-D51 WeakPolarHBondContact CD-OD2 3.46Å; R47-D51 WeakPolarHBondContact O-CB 3.14Å; R47-D51 VanDerWaalsContact O-CG 3.23Å; R47-D51 PolarHBondContact O-N 3.27Å
48C94.4Very high94.6Very high0 Ų033.7 Ų33.70%018%0.177CC..Hα-helixtrans-70-31.9177.4-1010000113.9F20 A23 G44 C45 A46 V50 Q52 C53 V57 A190F20-C48 VanDerWaalsContact CB-SG 3.56Å; F20-C48 WeakPolarHBondContact CD2-SG 3.29Å; A23-C48 HydrophobicContact CB-CB 4.36Å; A23-C48 VanDerWaalsContact CB-SG 3.59Å; G44-C48 PolarHBondContact O-N 3.3Å; C45-C48 PolarHBondContact O-N 2.87Å; A46-C48 VanDerWaalsContact C-N 3.31Å; A46-C48 PolarHBondContact O-N 3.12Å; C48-V50 VanDerWaalsContact C-N 3.3Å; C48-Q52 PolarHBondContact O-N 2.9Å; C48-C53 WeakPolarHBondContact CA-SG 3.44Å; C48-C53 HydrophobicContact CB-CB 3.79Å; C48-C53 WeakPolarHBondContact CB-SG 3.48Å; C48-C53 PolarHBondContact O-N 3.46Å; C48-C53 VanDerWaalsContact O-N 3.14Å; C48-C53 WeakPolarHBondContact SG-CB 3.48Å; C48-C53 CovalentContact SG-SG 2.06Å; C48-C53 PolarHBondContact SG-SG 3.08Å; C48-V57 HydrophobicContact CB-CB 4.41Å; C48-V57 HydrophobicContact CB-CG1 4.07Å; C48-V57 HydrophobicContact CB-CG2 4.49Å; C48-A190 HydrophobicContact CB-CB 4.15Å
49E96.1Very high94.3Very high3 Ų334.9 Ų34.91%0.01418%0.182CC..Hα-helixtrans-63.1-38.1172.3-67.7171.7166.400111.9C45 A46 V57 N94 A95 I96 S206C45-E49 PolarHBondContact O-N 2.82Å; A46-E49 WeakPolarHBondContact O-CB 3.23Å; A46-E49 PolarHBondContact O-N 3.41Å; E49-V57 HydrophobicContact CB-CG1 4.43Å; E49-V57 HydrophobicContact CG-CG1 3.77Å; E49-N94 VanDerWaalsContact OE2-CA 3.24Å; E49-N94 WeakPolarHBondContact OE2-CA 3.33Å; E49-N94 PolarHBondContact OE2-OD1 2.92Å; E49-A95 WeakPolarHBondContact OE1-CB 3.3Å; E49-A95 PolarHBondContact OE1-N 3.28Å; E49-A95 PolarHBondContact OE2-N 3.07Å; E49-A95 VanDerWaalsContact OE2-N 3.11Å; E49-I96 PolarHBondContact OE1-N 2.93Å; E49-S206 WeakPolarHBondContact CG-OG 3.26Å; E49-S206 VanDerWaalsContact OE1-CB 3.25Å; E49-S206 WeakPolarHBondContact OE1-CB 3Å; E49-S206 PolarHBondContact OE1-OG 2.86Å
50V95.9Very high93.5Very high92 Ų9232.6 Ų32.656%0.55817%0.17SC*.Hα-helixtrans-74.1-45.1176.4172.10000111.8A46 R47 C48 Q52A46-V50 WeakPolarHBondContact O-CG2 3.47Å; A46-V50 PolarHBondContact O-N 2.8Å; R47-V50 PolarHBondContact O-N 3.02Å; C48-V50 VanDerWaalsContact C-N 3.3Å; V50-Q52 PolarHBondContact O-N 3.03Å
51D94.6Very high92.6Very high73 Ų7333.1 Ų33.139%0.3918%0.176SC..Hα-helixtrans-74.9-7.6-178.1-68.1-7.5000112.6S22 R47 C53S22-D51 WeakPolarHBondContact CB-OD2 3.36Å; S22-D51 PolarHBondContact OG-OD2 2.98Å; R47-D51 VanDerWaalsContact CD-OD2 3.28Å; R47-D51 WeakPolarHBondContact CD-OD2 3.46Å; R47-D51 WeakPolarHBondContact O-CB 3.14Å; R47-D51 VanDerWaalsContact O-CG 3.23Å; R47-D51 PolarHBondContact O-N 3.27Å; D51-C53 VanDerWaalsContact C-N 3.33Å; D51-C53 PolarHBondContact O-N 3.46Å
52Q93.1Very high92.2Very high57 Ų5733.3 Ų33.327%0.26618%0.177SC..THydrogen-bonded Turntrans53.249.2-175.9-52.6176.3-70.700111.6C48 V50 D54 G55 V57 F59C48-Q52 PolarHBondContact O-N 2.9Å; V50-Q52 PolarHBondContact O-N 3.03Å; Q52-D54 PolarHBondContact O-N 3.06Å; Q52-G55 PolarHBondContact O-N 3.41Å; Q52-V57 WeakPolarHBondContact CA-O 3.45Å; Q52-F59 HydrophobicContact CG-CD1 4.25Å; Q52-F59 HydrophobicContact CG-CE1 3.86Å; Q52-F59 HydrophobicContact CG-CE2 4.4Å; Q52-F59 HydrophobicContact CG-CZ 3.93Å; Q52-F59 PolarHBondContact NE2-O 3.19Å
53C89.6Confident92Very high9 Ų931.7 Ų31.76%0.06117%0.169CC..G310 helixtrans-47.4114.4-172.4-75.20000112.6F20 C48 D51 G55 T56 V57F20-C53 HydrophobicContact CD1-CB 3.88Å; F20-C53 HydrophobicContact CD2-CB 3.78Å; F20-C53 HydrophobicContact CE1-CB 3.81Å; F20-C53 HydrophobicContact CE2-CB 3.59Å; F20-C53 HydrophobicContact CG-CB 3.91Å; F20-C53 HydrophobicContact CZ-CB 3.67Å; C48-C53 WeakPolarHBondContact CA-SG 3.44Å; C48-C53 HydrophobicContact CB-CB 3.79Å; C48-C53 WeakPolarHBondContact CB-SG 3.48Å; C48-C53 PolarHBondContact O-N 3.46Å; C48-C53 VanDerWaalsContact O-N 3.14Å; C48-C53 WeakPolarHBondContact SG-CB 3.48Å; C48-C53 CovalentContact SG-SG 2.06Å; C48-C53 PolarHBondContact SG-SG 3.08Å; D51-C53 VanDerWaalsContact C-N 3.33Å; D51-C53 PolarHBondContact O-N 3.46Å; C53-G55 PolarHBondContact O-N 3.15Å; C53-T56 PolarHBondContact O-N 3.44Å; C53-T56 PolarHBondContact O-OG1 3.05Å; C53-V57 HydrophobicContact CB-CB 4.35Å; C53-V57 HydrophobicContact CB-CG2 3.97Å
54D85.4Confident91.8Very high122 Ų12227.1 Ų27.165%0.65215%0.148SC*.G310 helixtrans49.720.6-174.9-71.4-7.3000115.4F20 Q52 T56F20-D54 HydrophobicContact CE1-CB 4.1Å; F20-D54 WeakPolarHBondContact CE1-OD2 3.34Å; F20-D54 HydrophobicContact CZ-CB 4.11Å; Q52-D54 PolarHBondContact O-N 3.06Å; D54-T56 PolarHBondContact O-N 3.27Å
55G86.8Confident91.6Very high19 Ų1928.5 Ų28.520%0.19615%0.154CC..G310 helixtrans68.810.3-173.900000114.2Q52 C53 G61 N208Q52-G55 PolarHBondContact O-N 3.41Å; C53-G55 PolarHBondContact O-N 3.15Å; G55-G61 CarbonylContact O-C 3.58Å; G55-G61 WeakPolarHBondContact O-CA 3.44Å; G55-N208 PolarHBondContact O-ND2 2.56Å
56T87.4Confident91.3Very high16 Ų1632.7 Ų32.710%0.09818%0.18CC..SBendtrans-107.80.9-176.762.40000113.8C53 D54 T207 N208C53-T56 PolarHBondContact O-N 3.44Å; C53-T56 PolarHBondContact O-OG1 3.05Å; D54-T56 PolarHBondContact O-N 3.27Å; T56-T207 WeakPolarHBondContact O-CA 3.47Å; T56-T207 PolarHBondContact O-OG1 2.84Å; T56-N208 VanDerWaalsContact C-CG 3.47Å; T56-N208 VanDerWaalsContact CA-OD1 3.32Å; T56-N208 WeakPolarHBondContact CA-OD1 3.26Å; T56-N208 PolarHBondContact O-N 3.44Å; T56-N208 PolarHBondContact O-OD1 3.17Å
57V91.1Very high91.1Very high0 Ų032.6 Ų32.60%018%0.18CC..SBendtrans-133.5141.5-178.3-162.50000110.2C48 E49 Q52 C53 I189 A190C48-V57 HydrophobicContact CB-CB 4.41Å; C48-V57 HydrophobicContact CB-CG1 4.07Å; C48-V57 HydrophobicContact CB-CG2 4.49Å; E49-V57 HydrophobicContact CB-CG1 4.43Å; E49-V57 HydrophobicContact CG-CG1 3.77Å; Q52-V57 WeakPolarHBondContact CA-O 3.45Å; C53-V57 HydrophobicContact CB-CB 4.35Å; C53-V57 HydrophobicContact CB-CG2 3.97Å; V57-I189 WeakPolarHBondContact CG2-O 3.3Å; V57-A190 HydrophobicContact CG1-CB 4.18Å; V57-A190 HydrophobicContact CG2-CB 4.25Å
58G91.9Very high90.9Very high0 Ų029.7 Ų29.70%017%0.171CC..SBendtrans67-158.6179.300000112.7L71 N208G58-L71 WeakPolarHBondContact O-CD2 3.43Å; G58-N208 WeakPolarHBondContact O-CB 3.16Å; G58-N208 PolarHBondContact O-ND2 2.89Å
59F92.9Very high90.9Very high38 Ų3829.7 Ų29.717%0.16717%0.172CC..THydrogen-bonded Turntrans-72.5157-170.266.9-79.4000112.7Q52 G61 K93 L130 T132Q52-F59 HydrophobicContact CG-CD1 4.25Å; Q52-F59 HydrophobicContact CG-CE1 3.86Å; Q52-F59 HydrophobicContact CG-CE2 4.4Å; Q52-F59 HydrophobicContact CG-CZ 3.93Å; Q52-F59 PolarHBondContact NE2-O 3.19Å; F59-G61 PolarHBondContact O-N 2.69Å; F59-K93 HydrophobicContact CB-CG 4.3Å; F59-K93 HydrophobicContact CD1-CD 3.88Å; F59-K93 HydrophobicContact CD1-CG 4.02Å; F59-K93 HydrophobicContact CE1-CD 4.19Å; F59-K93 HydrophobicContact CG-CD 4.28Å; F59-K93 HydrophobicContact CG-CG 4.29Å; F59-L130 CarbonylContact C-O 3.52Å; F59-L130 HydrophobicContact CB-CB 3.97Å; F59-L130 HydrophobicContact CB-CD2 3.84Å; F59-L130 HydrophobicContact CB-CG 4.49Å; F59-L130 WeakPolarHBondContact CB-O 3.41Å; F59-T132 HydrophobicContact CD2-CG2 3.53Å; F59-T132 HydrophobicContact CE2-CG2 3.73Å
60G81.6Confident90.9Very high1 Ų129.6 Ų29.61%0.0117%0.171CC..THydrogen-bonded Turntrans79.43.1160.900000118.4L130 T132 S135G60-L130 WeakPolarHBondContact CA-O 3.47Å; G60-L130 PolarHBondContact N-O 2.85Å; G60-T132 VanDerWaalsContact CA-CG2 3.46Å; G60-T132 WeakPolarHBondContact CA-OG1 3.19Å; G60-T132 PolarHBondContact O-OG1 2.88Å; G60-S135 VanDerWaalsContact O-CB 3.3Å; G60-S135 WeakPolarHBondContact O-CB 3.2Å; G60-S135 PolarHBondContact O-N 3.5Å
61G80.6Confident91Very high12 Ų1225.2 Ų25.212%0.12415%0.145CC..SBendtrans-100-65-172.600000114.6G55 F59 P63 N208G55-G61 CarbonylContact O-C 3.58Å; G55-G61 WeakPolarHBondContact O-CA 3.44Å; F59-G61 PolarHBondContact O-N 2.69Å; G61-P63 VanDerWaalsContact O-CD 3.26Å; G61-P63 WeakPolarHBondContact O-CD 3.27Å; G61-N208 WeakPolarHBondContact CA-ND2 3.12Å
62S89.6Confident91.1Very high4 Ų421.8 Ų21.83%0.02813%0.126CC..  trans-115.187.2-175.2-69.50000111.9N208 G209 S211S62-N208 VanDerWaalsContact CB-OD1 3.28Å; S62-N208 WeakPolarHBondContact CB-OD1 3.23Å; S62-N208 PolarHBondContact N-ND2 3.21Å; S62-N208 PolarHBondContact OG-OD1 3Å; S62-G209 WeakPolarHBondContact CB-O 3.38Å; S62-G209 PolarHBondContact OG-O 3.35Å; S62-G209 VanDerWaalsContact OG-O 3.12Å; S62-S211 PolarHBondContact OG-OG 3.05Å
63P93.5Very high91.4Very high0 Ų019 Ų190%011%0.113CC..  trans-70.1148.7172.530.6-34.7000110.7G61 E68 V138 F139 H212G61-P63 VanDerWaalsContact O-CD 3.26Å; G61-P63 WeakPolarHBondContact O-CD 3.27Å; P63-E68 CarbonylContact C-O 3.48Å; P63-E68 WeakPolarHBondContact CA-O 3.47Å; P63-V138 HydrophobicContact CG-CG1 4.41Å; P63-F139 HydrophobicContact CG-CB 4.16Å; P63-H212 WeakPolarHBondContact O-CA 3.47Å; P63-H212 PolarHBondContact O-N 3.31Å
64D93.6Very high91.8Very high3 Ų318.6 Ų18.62%0.01611%0.111CC..  trans-73.1-177.7172.776.27.8000112.2T66 G67 E68 K213 P215D64-T66 PolarHBondContact O-N 3.1Å; D64-T66 VanDerWaalsContact O-N 3.12Å; D64-T66 VanDerWaalsContact OD1-CA 3.26Å; D64-T66 WeakPolarHBondContact OD1-CA 3.3Å; D64-T66 WeakPolarHBondContact OD1-CB 3.49Å; D64-T66 PolarHBondContact OD1-N 2.9Å; D64-T66 PolarHBondContact OD1-OG1 3.31Å; D64-T66 PolarHBondContact OD2-OG1 3.13Å; D64-G67 PolarHBondContact O-N 3.31Å; D64-G67 PolarHBondContact OD1-N 3.41Å; D64-E68 PolarHBondContact N-O 2.97Å; D64-E68 PolarHBondContact OD1-N 3.42Å; D64-K213 HydrophobicContact CB-CG 3.9Å; D64-K213 WeakPolarHBondContact CB-O 3.29Å; D64-P215 WeakPolarHBondContact OD2-CB 3.49Å; D64-P215 WeakPolarHBondContact OD2-CG 3.47Å
65E93.1Very high92.4Very high29 Ų2912.8 Ų12.814%0.1368%0.08CC..THydrogen-bonded Turntrans-67.3-8.4-179.1100-165.7148.200113.8F139 W142 R152 K213 P215E65-F139 WeakPolarHBondContact O-CE2 2.92Å; E65-W142 HydrophobicContact CB-CH2 3.69Å; E65-W142 HydrophobicContact CB-CZ2 4.24Å; E65-W142 HydrophobicContact CB-CZ3 4.4Å; E65-R152 IonicContact OE1-CZ 3.35Å; E65-R152 IonicContact OE1-NE 2.8Å; E65-R152 PolarHBondContact OE1-NE 3.02Å; E65-R152 IonicContact OE1-NH2 3.79Å; E65-R152 PolarHBondContact OE1-NH2 3.32Å; E65-R152 IonicContact OE2-CZ 3.6Å; E65-R152 IonicContact OE2-NE 2.6Å; E65-R152 PolarHBondContact OE2-NE 2.77Å; E65-R152 VanDerWaalsContact OE2-NE 3.16Å; E65-R152 IonicContact OE2-NH2 2.69Å; E65-K213 PolarHBondContact N-O 2.88Å; E65-P215 HydrophobicContact CG-CG 4.13Å; E65-P215 WeakPolarHBondContact OE1-CD 3.4Å
66T92.4Very high93Very high87 Ų8712 Ų1253%0.5347%0.071SC..THydrogen-bonded Turntrans-100.4-4.8172.268.20000113.4D64 P215D64-T66 PolarHBondContact O-N 3.1Å; D64-T66 VanDerWaalsContact O-N 3.12Å; D64-T66 VanDerWaalsContact OD1-CA 3.26Å; D64-T66 WeakPolarHBondContact OD1-CA 3.3Å; D64-T66 WeakPolarHBondContact OD1-CB 3.49Å; D64-T66 PolarHBondContact OD1-N 2.9Å; D64-T66 PolarHBondContact OD1-OG1 3.31Å; D64-T66 PolarHBondContact OD2-OG1 3.13Å; T66-P215 HydrophobicContact CG2-CG 3.59Å
67G92.3Very high93.5Very high14 Ų1412.5 Ų12.514%0.1447%0.073CC..SBendtrans92.84.4179.100000114D64D64-G67 PolarHBondContact O-N 3.31Å; D64-G67 PolarHBondContact OD1-N 3.41Å
68E93.8Very high93.8Very high44 Ų4412.7 Ų12.721%0.2067%0.074CC..  trans-94.8137.5-179.1-175.8172.5-165.100111.3P63 D64 T70 R90P63-E68 CarbonylContact C-O 3.48Å; P63-E68 WeakPolarHBondContact CA-O 3.47Å; D64-E68 PolarHBondContact N-O 2.97Å; D64-E68 PolarHBondContact OD1-N 3.42Å; E68-T70 HydrophobicContact CG-CG2 4.2Å; E68-R90 VanDerWaalsContact CD-NE 3.33Å; E68-R90 VanDerWaalsContact CD-NH2 3.27Å; E68-R90 IonicContact OE1-CZ 3.41Å; E68-R90 IonicContact OE1-NE 3.14Å; E68-R90 PolarHBondContact OE1-NE 2.88Å; E68-R90 IonicContact OE1-NH2 3.33Å; E68-R90 PolarHBondContact OE1-NH2 2.93Å; E68-R90 VanDerWaalsContact OE1-NH2 3.12Å; E68-R90 IonicContact OE2-CZ 2.66Å; E68-R90 VanDerWaalsContact OE2-CZ 3.23Å; E68-R90 IonicContact OE2-NE 2.76Å; E68-R90 PolarHBondContact OE2-NE 2.78Å; E68-R90 IonicContact OE2-NH2 3.23Å; E68-R90 PolarHBondContact OE2-NH2 3.14Å
69T94.6Very high94.1Very high1 Ų116.3 Ų16.31%0.0069%0.094CC..  trans-89.7127.7171.3-58.80000109.4L71 L130 N208T69-L71 HydrophobicContact CG2-CD2 3.99Å; T69-L130 HydrophobicContact CG2-CB 4.31Å; T69-L130 WeakPolarHBondContact O-CD1 3.38Å; T69-N208 HydrophobicContact CG2-CB 3.96Å
70T96.1Very high94.3Very high1 Ų117 Ų171%0.00610%0.104CC..  trans-125.5142.4174.270.60000110.4E68 D88 L89 R90 N208 K213E68-T70 HydrophobicContact CG-CG2 4.2Å; T70-D88 VanDerWaalsContact CB-OD1 3.23Å; T70-D88 WeakPolarHBondContact CB-OD1 3.39Å; T70-D88 VanDerWaalsContact CG2-OD1 3.28Å; T70-D88 WeakPolarHBondContact CG2-OD1 3.48Å; T70-D88 PolarHBondContact OG1-OD1 3.38Å; T70-L89 WeakPolarHBondContact CA-O 3.23Å; T70-R90 HydrophobicContact CG2-CG 3.96Å; T70-N208 WeakPolarHBondContact O-CA 3.13Å; T70-K213 PolarHBondContact O-NZ 2.85Å; T70-K213 VanDerWaalsContact OG1-CE 3.3Å; T70-K213 WeakPolarHBondContact OG1-CE 3.13Å; T70-K213 PolarHBondContact OG1-NZ 2.89Å
71L96.9Very high95.1Very high0 Ų020.7 Ų20.70%012%0.121CC..EExtended strand (participates in β ladder)trans-109144.8-171.7-50.3-174.1000111.9G58 T69 D88 L89 I92 A95 L130 T207 N208G58-L71 WeakPolarHBondContact O-CD2 3.43Å; T69-L71 HydrophobicContact CG2-CD2 3.99Å; L71-D88 PolarHBondContact O-N 2.71Å; L71-L89 HydrophobicContact CB-CB 4.45Å; L71-L89 PolarHBondContact N-O 2.83Å; L71-L89 VanDerWaalsContact O-CB 3.27Å; L71-L89 WeakPolarHBondContact O-CB 3.41Å; L71-L89 PolarHBondContact O-N 3Å; L71-I92 VanDerWaalsContact CD1-O 3.3Å; L71-I92 WeakPolarHBondContact CD1-O 3.45Å; L71-A95 HydrophobicContact CB-CB 3.75Å; L71-A95 HydrophobicContact CD1-CB 3.99Å; L71-L130 HydrophobicContact CD1-CD1 4.17Å; L71-L130 HydrophobicContact CD2-CD1 4.45Å; L71-L130 HydrophobicContact CG-CD1 3.91Å; L71-T207 WeakPolarHBondContact CA-O 3.45Å; L71-N208 HydrophobicContact CD2-CB 3.61Å
72D97.4Very high96Very high0 Ų025.1 Ų25.10%014%0.139CC..EExtended strand (participates in β ladder)trans-123.9130.5176.9-65.9-20.6000108.8V86 A87 D88 S206 T207 G219 P222D72-V86 WeakPolarHBondContact CA-O 3.4Å; D72-A87 VanDerWaalsContact OD1-CA 3.31Å; D72-A87 WeakPolarHBondContact OD1-CA 3.27Å; D72-D88 PolarHBondContact OD1-N 3.18Å; D72-S206 CarbonylContact O-C 3.6Å; D72-S206 WeakPolarHBondContact O-CA 3.36Å; D72-T207 HydrophobicContact CB-CG2 3.86Å; D72-T207 PolarHBondContact N-O 3.21Å; D72-T207 PolarHBondContact O-N 3.4Å; D72-G219 PolarHBondContact OD2-N 3.36Å; D72-P222 HydrophobicContact CB-CB 4.16Å; D72-P222 HydrophobicContact CB-CG 3.72Å
73A98.1Very high96.4Very high0 Ų025.8 Ų25.80%014%0.143CC..EExtended strand (participates in β ladder)trans-150.8153.9177.600000113.1A85 V86 A95 I96 A99 T205A73-A85 CarbonylContact O-C 3.56Å; A73-A85 VanDerWaalsContact O-CA 3.31Å; A73-A85 WeakPolarHBondContact O-CA 3.28Å; A73-V86 HydrophobicContact CB-CG2 4.06Å; A73-V86 PolarHBondContact N-O 3.01Å; A73-V86 PolarHBondContact O-N 2.88Å; A73-V86 VanDerWaalsContact O-O 3.1Å; A73-A95 HydrophobicContact CB-CB 3.8Å; A73-I96 HydrophobicContact CB-CB 4.48Å; A73-I96 HydrophobicContact CB-CD1 4.37Å; A73-A99 HydrophobicContact CB-CB 4.35Å; A73-T205 CarbonylContact C-O 3.33Å; A73-T205 WeakPolarHBondContact CA-O 3.34Å; A73-T205 WeakPolarHBondContact CB-O 3.33Å
74M98.3Very high96.7Very high0 Ų025.8 Ų25.80%014%0.143CC..EExtended strand (participates in β ladder)trans-146.2153.5166.465.2127.3-64.900111.5M76 V83 G84 A85 I96 G204 T205 S221 I224 A228M74-M76 HydrophobicContact CE-CB 3.54Å; M74-V83 HydrophobicContact CE-CG1 4.36Å; M74-G84 CarbonylContact C-O 3.52Å; M74-G84 VanDerWaalsContact CA-O 3.3Å; M74-G84 WeakPolarHBondContact CA-O 3.23Å; M74-A85 HydrophobicContact CB-CB 3.72Å; M74-I96 WeakPolarHBondContact O-CD1 3.47Å; M74-G204 CarbonylContact O-C 3.49Å; M74-G204 WeakPolarHBondContact O-CA 3.47Å; M74-T205 WeakPolarHBondContact CG-OG1 3.07Å; M74-T205 PolarHBondContact N-O 2.97Å; M74-T205 PolarHBondContact O-N 3.3Å; M74-S221 WeakPolarHBondContact CG-O 3.42Å; M74-I224 HydrophobicContact SD-CG1 4.27Å; M74-A228 HydrophobicContact CE-CB 4.07Å; M74-A228 HydrophobicContact SD-CB 3.92Å
75I98.6Very high96.9Very high0 Ų025.7 Ų25.70%014%0.142CC..EExtended strand (participates in β ladder)trans-135.8136.5171.6-165167.7000109.6L38 V41 E42 V83 G84 I96 A99 R100 M103L38-I75 HydrophobicContact CD2-CD1 3.81Å; L38-I75 HydrophobicContact CD2-CG1 3.78Å; V41-I75 HydrophobicContact CB-CD1 4.15Å; V41-I75 HydrophobicContact CB-CG1 4.49Å; V41-I75 HydrophobicContact CG1-CD1 3.92Å; V41-I75 HydrophobicContact CG1-CG1 3.93Å; E42-I75 HydrophobicContact CB-CD1 4.29Å; I75-V83 WeakPolarHBondContact O-CA 3.46Å; I75-V83 WeakPolarHBondContact O-CG1 3.31Å; I75-G84 PolarHBondContact N-O 3.32Å; I75-G84 PolarHBondContact O-N 2.92Å; I75-I96 HydrophobicContact CB-CD1 3.92Å; I75-A99 HydrophobicContact CG2-CB 4.39Å; I75-R100 HydrophobicContact CG2-CB 4.03Å; I75-M103 HydrophobicContact CG2-CE 4.49Å; I75-M103 HydrophobicContact CG2-SD 4.43Å
76M98.7Very high97.2Very high3 Ų324.3 Ų24.32%0.01514%0.136CC..EExtended strand (participates in β ladder)trans-129.5131.3-177.9174.1167.4-163.500110.5M74 M81 E82 V83 A202 A203 I224 Y229 A230M74-M76 HydrophobicContact CE-CB 3.54Å; M76-M81 HydrophobicContact CE-CE 3.56Å; M76-M81 HydrophobicContact CE-SD 4.15Å; M76-E82 WeakPolarHBondContact CA-O 3.28Å; M76-V83 HydrophobicContact CB-CG1 4.43Å; M76-V83 HydrophobicContact CB-CG2 3.98Å; M76-V83 HydrophobicContact CE-CG2 4.09Å; M76-V83 HydrophobicContact CG-CG2 3.72Å; M76-V83 HydrophobicContact SD-CG2 3.91Å; M76-A202 VanDerWaalsContact O-CA 3.26Å; M76-A202 WeakPolarHBondContact O-CA 3.04Å; M76-A202 WeakPolarHBondContact O-CB 3.2Å; M76-A203 PolarHBondContact N-O 3.4Å; M76-A203 PolarHBondContact O-N 2.99Å; M76-A203 VanDerWaalsContact O-N 3.13Å; M76-I224 HydrophobicContact SD-CG2 4.17Å; M76-Y229 HydrophobicContact CE-CD2 4.23Å; M76-Y229 HydrophobicContact CE-CE1 4.47Å; M76-Y229 HydrophobicContact CE-CE2 3.82Å; M76-Y229 HydrophobicContact SD-CD2 3.79Å; M76-Y229 HydrophobicContact SD-CE2 3.99Å; M76-Y229 HydrophobicContact SD-CG 4.2Å; M76-A230 WeakPolarHBondContact CE-O 3.48Å; M76-A230 HydrophobicContact CG-CB 4.34Å; M76-A230 PolarHBondContact SD-N 2.99Å; M76-A230 VanDerWaalsContact SD-N 3.41Å
77N98.6Very high97.4Very high26 Ų2620.2 Ų20.214%0.13911%0.111CC..EExtended strand (participates in β ladder)trans-90.2113.8169.6-172.4-24.9000109.6L38 N79 S80 M81 E82 M103L38-N77 HydrophobicContact CD1-CB 4.13Å; L38-N77 HydrophobicContact CD2-CB 4.06Å; L38-N77 HydrophobicContact CG-CB 4.32Å; N77-N79 PolarHBondContact O-N 2.97Å; N77-N79 WeakPolarHBondContact OD1-CB 3.04Å; N77-N79 PolarHBondContact OD1-N 3.3Å; N77-S80 WeakPolarHBondContact CB-OG 3.25Å; N77-S80 PolarHBondContact ND2-OG 3.39Å; N77-S80 PolarHBondContact OD1-N 3.16Å; N77-M81 VanDerWaalsContact O-CA 3.23Å; N77-M81 WeakPolarHBondContact O-CA 3.44Å; N77-M81 PolarHBondContact O-N 2.05Å; N77-E82 PolarHBondContact N-O 2.85Å; N77-M103 HydrophobicContact CB-SD 4.48Å
78G98.1Very high97.7Very high3 Ų320.8 Ų20.83%0.03111%0.111CC..THydrogen-bonded Turntrans-70.9-12-179.700000114.6M201 A230 S232G78-M201 WeakPolarHBondContact CA-O 3.3Å; G78-M201 PolarHBondContact N-O 2.93Å; G78-A230 WeakPolarHBondContact CA-O 3.3Å; G78-S232 VanDerWaalsContact C-OG 3.31Å; G78-S232 PolarHBondContact O-N 3.2Å; G78-S232 PolarHBondContact O-OG 3.49Å
79N97.6Very high97.8Very high77 Ų7718.7 Ų18.741%0.41210%0.101SC..THydrogen-bonded Turntrans-89.4-46.2178.2-69.285.1000112.9N77 H200 M201 S232N77-N79 PolarHBondContact O-N 2.97Å; N77-N79 WeakPolarHBondContact OD1-CB 3.04Å; N77-N79 PolarHBondContact OD1-N 3.3Å; N79-H200 PolarHBondContact ND2-CD2 2.92Å; N79-H200 WeakPolarHBondContact OD1-CA 3.36Å; N79-H200 WeakPolarHBondContact OD1-CB 3.18Å; N79-M201 PolarHBondContact OD1-N 3.37Å; N79-S232 PolarHBondContact OD1-OG 3.37Å
80S97.8Very high97.9Very high53 Ų5322.3 Ų22.337%0.37111%0.114SC..THydrogen-bonded Turntrans-90.8-13.4179.662.20000112.9N77 E82N77-S80 WeakPolarHBondContact CB-OG 3.25Å; N77-S80 PolarHBondContact ND2-OG 3.39Å; N77-S80 PolarHBondContact OD1-N 3.16Å; S80-E82 VanDerWaalsContact CB-OE2 3.29Å; S80-E82 WeakPolarHBondContact CB-OE2 3.45Å; S80-E82 PolarHBondContact O-N 3.4Å; S80-E82 WeakPolarHBondContact OG-CB 3.05Å; S80-E82 WeakPolarHBondContact OG-CG 3.26Å; S80-E82 PolarHBondContact OG-N 3.24Å; S80-E82 PolarHBondContact OG-OE2 3.37Å
81M97.9Very high98Very high78 Ų7825.4 Ų25.438%0.38413%0.126SC..  trans61.213.7-169-52.1-60.7-69.100113.4M76 N77 Y229 D231M76-M81 HydrophobicContact CE-CE 3.56Å; M76-M81 HydrophobicContact CE-SD 4.15Å; N77-M81 VanDerWaalsContact O-CA 3.23Å; N77-M81 WeakPolarHBondContact O-CA 3.44Å; N77-M81 PolarHBondContact O-N 2.05Å; M81-Y229 HydrophobicContact CE-CE1 4.48Å; M81-Y229 WeakPolarHBondContact CE-OH 3.36Å; M81-D231 HydrophobicContact CE-CB 4.47Å; M81-D231 HydrophobicContact SD-CB 4.39Å
82E98.5Very high98Very high105 Ų10525.5 Ų25.549%0.49113%0.126SC..  trans-72.6144174.1-68.6172.2123.900110.4M76 N77 S80 M103M76-E82 WeakPolarHBondContact CA-O 3.28Å; N77-E82 PolarHBondContact N-O 2.85Å; S80-E82 VanDerWaalsContact CB-OE2 3.29Å; S80-E82 WeakPolarHBondContact CB-OE2 3.45Å; S80-E82 PolarHBondContact O-N 3.4Å; S80-E82 WeakPolarHBondContact OG-CB 3.05Å; S80-E82 WeakPolarHBondContact OG-CG 3.26Å; S80-E82 PolarHBondContact OG-N 3.24Å; S80-E82 PolarHBondContact OG-OE2 3.37Å; E82-M103 HydrophobicContact CB-CG 3.79Å; E82-M103 HydrophobicContact CB-SD 3.97Å
83V98.6Very high98Very high18 Ų1828.7 Ų28.711%0.10914%0.14CC..EExtended strand (participates in β ladder)trans-141139.1-178.5-173.40000109.1M74 I75 M76 T109 I224M74-V83 HydrophobicContact CE-CG1 4.36Å; I75-V83 WeakPolarHBondContact O-CA 3.46Å; I75-V83 WeakPolarHBondContact O-CG1 3.31Å; M76-V83 HydrophobicContact CB-CG1 4.43Å; M76-V83 HydrophobicContact CB-CG2 3.98Å; M76-V83 HydrophobicContact CE-CG2 4.09Å; M76-V83 HydrophobicContact CG-CG2 3.72Å; M76-V83 HydrophobicContact SD-CG2 3.91Å; V83-T109 HydrophobicContact CB-CG2 3.88Å; V83-T109 HydrophobicContact CG1-CG2 4.04Å; V83-I224 HydrophobicContact CB-CG1 4.16Å; V83-I224 HydrophobicContact CG1-CD1 3.86Å; V83-I224 HydrophobicContact CG1-CG1 3.26Å; V83-I224 HydrophobicContact CG2-CG1 4.26Å; V83-I224 HydrophobicContact CG2-CG2 4.27Å
84G98.8Very high97.9Very high0 Ų031.1 Ų31.10%015%0.153CC..EExtended strand (participates in β ladder)trans-126.8143.3163.800000110.5M74 I75 A99 T109M74-G84 CarbonylContact C-O 3.52Å; M74-G84 VanDerWaalsContact CA-O 3.3Å; M74-G84 WeakPolarHBondContact CA-O 3.23Å; I75-G84 PolarHBondContact N-O 3.32Å; I75-G84 PolarHBondContact O-N 2.92Å; G84-A99 CarbonylContact C-O 3.46Å; G84-A99 VanDerWaalsContact CA-O 3.23Å; G84-A99 WeakPolarHBondContact CA-O 3.39Å; G84-T109 CarbonylContact C-O 3.6Å; G84-T109 WeakPolarHBondContact CA-O 3.44Å
85A98.8Very high97.9Very high0 Ų031.1 Ų31.10%015%0.153CC..EExtended strand (participates in β ladder)trans-146.7149.3-176.800000111.4A73 M74 T109 M110 L111 I224A73-A85 CarbonylContact O-C 3.56Å; A73-A85 VanDerWaalsContact O-CA 3.31Å; A73-A85 WeakPolarHBondContact O-CA 3.28Å; M74-A85 HydrophobicContact CB-CB 3.72Å; A85-T109 PolarHBondContact N-O 3.37Å; A85-M110 HydrophobicContact CB-CB 4.15Å; A85-M110 HydrophobicContact CB-CE 3.57Å; A85-M110 HydrophobicContact CB-CG 4.19Å; A85-M110 WeakPolarHBondContact O-CA 3.32Å; A85-L111 PolarHBondContact O-N 2.86Å; A85-L111 VanDerWaalsContact O-N 3.08Å; A85-I224 HydrophobicContact CB-CD1 4.28Å
86V98.7Very high97.9Very high0 Ų031.1 Ų31.10%015%0.153CC..EExtended strand (participates in β ladder)trans-132140171.2-680000109.8D72 A73 L89 A95 V98 A99 V102 L111 A116 P222D72-V86 WeakPolarHBondContact CA-O 3.4Å; A73-V86 HydrophobicContact CB-CG2 4.06Å; A73-V86 PolarHBondContact N-O 3.01Å; A73-V86 PolarHBondContact O-N 2.88Å; A73-V86 VanDerWaalsContact O-O 3.1Å; V86-L89 HydrophobicContact CB-CB 4.35Å; V86-L89 HydrophobicContact CG2-CB 4.32Å; V86-L89 HydrophobicContact CG2-CD2 4Å; V86-A95 HydrophobicContact CG2-CB 4.4Å; V86-V98 HydrophobicContact CG1-CB 4.22Å; V86-V98 HydrophobicContact CG1-CG1 3.64Å; V86-A99 HydrophobicContact CG2-CB 4.28Å; V86-V102 HydrophobicContact CG1-CG2 4Å; V86-L111 VanDerWaalsContact CA-O 3.26Å; V86-L111 WeakPolarHBondContact CA-O 3.46Å; V86-A116 HydrophobicContact CG1-CB 4.39Å; V86-P222 VanDerWaalsContact O-CB 3.27Å; V86-P222 WeakPolarHBondContact O-CB 3.2Å
87A97.9Very high97.9Very high1 Ų131.1 Ų31.11%0.00815%0.154CC..EExtended strand (participates in β ladder)trans-135.4148.7174.600000110.8D72 L89 L111 V112 G113 V218 P222D72-A87 VanDerWaalsContact OD1-CA 3.31Å; D72-A87 WeakPolarHBondContact OD1-CA 3.27Å; A87-L89 PolarHBondContact O-N 2.91Å; A87-L111 PolarHBondContact N-O 2.69Å; A87-V112 HydrophobicContact CB-CG1 3.84Å; A87-V112 CarbonylContact O-C 3.56Å; A87-V112 WeakPolarHBondContact O-CA 3Å; A87-V112 WeakPolarHBondContact O-CB 3.39Å; A87-G113 PolarHBondContact O-N 2.69Å; A87-V218 HydrophobicContact CB-CB 4.32Å; A87-V218 HydrophobicContact CB-CG1 3.66Å; A87-V218 HydrophobicContact CB-CG2 3.63Å; A87-P222 HydrophobicContact CB-CB 4.19Å; A87-P222 HydrophobicContact CB-CG 3.88Å
88D96.9Very high97.9Very high27 Ų2729.9 Ų29.914%0.14415%0.147CC..EExtended strand (participates in β ladder)trans51.137.5-173.3-16144.9000111.6T70 L71 D72 R90 G113T70-D88 VanDerWaalsContact CB-OD1 3.23Å; T70-D88 WeakPolarHBondContact CB-OD1 3.39Å; T70-D88 VanDerWaalsContact CG2-OD1 3.28Å; T70-D88 WeakPolarHBondContact CG2-OD1 3.48Å; T70-D88 PolarHBondContact OG1-OD1 3.38Å; L71-D88 PolarHBondContact O-N 2.71Å; D72-D88 PolarHBondContact OD1-N 3.18Å; D88-R90 WeakPolarHBondContact O-CG 3.17Å; D88-R90 PolarHBondContact O-N 3.35Å; D88-G113 WeakPolarHBondContact O-CA 3.5Å
89L97.8Very high97.9Very high0 Ų029.7 Ų29.70%015%0.145CC..EExtended strand (participates in β ladder)trans-70.7124.8-178.9-177.869.1000109.4T70 L71 V86 A87 I92 A95 V98 A116T70-L89 WeakPolarHBondContact CA-O 3.23Å; L71-L89 HydrophobicContact CB-CB 4.45Å; L71-L89 PolarHBondContact N-O 2.83Å; L71-L89 VanDerWaalsContact O-CB 3.27Å; L71-L89 WeakPolarHBondContact O-CB 3.41Å; L71-L89 PolarHBondContact O-N 3Å; V86-L89 HydrophobicContact CB-CB 4.35Å; V86-L89 HydrophobicContact CG2-CB 4.32Å; V86-L89 HydrophobicContact CG2-CD2 4Å; A87-L89 PolarHBondContact O-N 2.91Å; L89-I92 HydrophobicContact CD1-CB 4.5Å; L89-I92 HydrophobicContact CD1-CG1 4.31Å; L89-I92 HydrophobicContact CD2-CB 3.91Å; L89-I92 HydrophobicContact CD2-CG2 4.3Å; L89-I92 HydrophobicContact CG-CB 4.17Å; L89-I92 HydrophobicContact CG-CG1 4.47Å; L89-A95 HydrophobicContact CD2-CB 3.9Å; L89-V98 HydrophobicContact CD2-CB 4.19Å; L89-V98 HydrophobicContact CD2-CG2 4.12Å; L89-A116 HydrophobicContact CD1-CB 3.74Å
90R96.3Very high98Very high76 Ų7627.6 Ų27.629%0.28713%0.132SC..  trans-106.2143.1-175.3-56.1172.874172.54.4109.9E68 T70 D88 I92 E114 S117E68-R90 VanDerWaalsContact CD-NE 3.33Å; E68-R90 VanDerWaalsContact CD-NH2 3.27Å; E68-R90 IonicContact OE1-CZ 3.41Å; E68-R90 IonicContact OE1-NE 3.14Å; E68-R90 PolarHBondContact OE1-NE 2.88Å; E68-R90 IonicContact OE1-NH2 3.33Å; E68-R90 PolarHBondContact OE1-NH2 2.93Å; E68-R90 VanDerWaalsContact OE1-NH2 3.12Å; E68-R90 IonicContact OE2-CZ 2.66Å; E68-R90 VanDerWaalsContact OE2-CZ 3.23Å; E68-R90 IonicContact OE2-NE 2.76Å; E68-R90 PolarHBondContact OE2-NE 2.78Å; E68-R90 IonicContact OE2-NH2 3.23Å; E68-R90 PolarHBondContact OE2-NH2 3.14Å; T70-R90 HydrophobicContact CG2-CG 3.96Å; D88-R90 WeakPolarHBondContact O-CG 3.17Å; D88-R90 PolarHBondContact O-N 3.35Å; R90-I92 PolarHBondContact O-N 2.83Å; R90-E114 IonicContact NE-OE2 3.57Å; R90-E114 IonicContact NH1-OE2 2.69Å; R90-S117 PolarHBondContact N-OG 3.1Å; R90-S117 WeakPolarHBondContact O-CB 3.33Å; R90-S117 PolarHBondContact O-OG 2.88Å
91R96.7Very high98Very high67 Ų6725.6 Ų25.625%0.25312%0.118SC..SBendtrans59.517.8167.8-55.4177.4-56.6-79.3-8.1116.3E114 A127 E128R91-E114 IonicContact CZ-OE1 3.05Å; R91-E114 IonicContact CZ-OE2 3.8Å; R91-E114 IonicContact NH1-OE1 3.66Å; R91-E114 IonicContact NH1-OE2 2.63Å; R91-E114 PolarHBondContact NH1-OE2 3.29Å; R91-E114 IonicContact NH2-OE1 3.12Å; R91-E114 PolarHBondContact NH2-OE1 2.94Å; R91-E114 IonicContact NH2-OE2 2.61Å; R91-E114 PolarHBondContact NH2-OE2 3.47Å; R91-A127 CarbonylContact O-C 3.54Å; R91-A127 VanDerWaalsContact O-CA 3.24Å; R91-A127 WeakPolarHBondContact O-CA 3.25Å; R91-E128 CarbonylContact C-O 3.54Å; R91-E128 VanDerWaalsContact C-O 3.28Å; R91-E128 WeakPolarHBondContact CA-O 3.4Å; R91-E128 WeakPolarHBondContact CB-O 3.44Å; R91-E128 PolarHBondContact O-N 3.08Å; R91-E128 VanDerWaalsContact O-O 3.05Å
92I97.9Very high98.1Very high2 Ų221.9 Ų21.91%0.0110%0.1CC..  trans-125.4123174.8-54.6-67.9000107.8L71 L89 R90 V98 A120 E121 F125 V126 A127L71-I92 VanDerWaalsContact CD1-O 3.3Å; L71-I92 WeakPolarHBondContact CD1-O 3.45Å; L89-I92 HydrophobicContact CD1-CB 4.5Å; L89-I92 HydrophobicContact CD1-CG1 4.31Å; L89-I92 HydrophobicContact CD2-CB 3.91Å; L89-I92 HydrophobicContact CD2-CG2 4.3Å; L89-I92 HydrophobicContact CG-CB 4.17Å; L89-I92 HydrophobicContact CG-CG1 4.47Å; R90-I92 PolarHBondContact O-N 2.83Å; I92-V98 HydrophobicContact CG2-CG2 3.67Å; I92-A120 HydrophobicContact CD1-CB 3.93Å; I92-A120 HydrophobicContact CG1-CB 3.79Å; I92-A120 HydrophobicContact CG2-CB 4.43Å; I92-E121 HydrophobicContact CD1-CG 4.33Å; I92-F125 HydrophobicContact CD1-CB 4.14Å; I92-F125 HydrophobicContact CG2-CB 4.02Å; I92-F125 HydrophobicContact CG2-CD1 4.22Å; I92-F125 HydrophobicContact CG2-CG 4.38Å; I92-V126 WeakPolarHBondContact CD1-O 3.48Å; I92-A127 HydrophobicContact CD1-CB 4.37Å
93K96.6Very high98.1Very high66 Ų6617.4 Ų17.429%0.2878%0.079SC..SBendtrans-74.9-39.1-175.9-74.8-179.81751610113.6F59 A95 E128 L130F59-K93 HydrophobicContact CB-CG 4.3Å; F59-K93 HydrophobicContact CD1-CD 3.88Å; F59-K93 HydrophobicContact CD1-CG 4.02Å; F59-K93 HydrophobicContact CE1-CD 4.19Å; F59-K93 HydrophobicContact CG-CD 4.28Å; F59-K93 HydrophobicContact CG-CG 4.29Å; K93-A95 PolarHBondContact O-N 2.83Å; K93-E128 HydrophobicContact CD-CG 4.4Å; K93-E128 WeakPolarHBondContact CD-OE2 3.24Å; K93-E128 WeakPolarHBondContact CE-OE2 3.4Å; K93-E128 HydrophobicContact CG-CG 4.42Å; K93-E128 IonicContact NZ-OE2 2.67Å; K93-E128 PolarHBondContact NZ-OE2 2.94Å; K93-L130 HydrophobicContact CB-CD2 4.39Å; K93-L130 HydrophobicContact CG-CD2 3.6Å
94N97.4Very high98.1Very high52 Ų5220.8 Ų20.828%0.2789%0.094SC..  trans-8881.6-178.3-176.7-1000110.4E49 I96 G97 V98 F125E49-N94 VanDerWaalsContact OE2-CA 3.24Å; E49-N94 WeakPolarHBondContact OE2-CA 3.33Å; E49-N94 PolarHBondContact OE2-OD1 2.92Å; N94-I96 WeakPolarHBondContact OD1-CG2 3.23Å; N94-G97 WeakPolarHBondContact OD1-CA 3.48Å; N94-G97 PolarHBondContact OD1-N 3.13Å; N94-V98 WeakPolarHBondContact O-CG2 3.36Å; N94-V98 PolarHBondContact O-N 2.87Å; N94-F125 HydrophobicContact CB-CD1 4.37Å; N94-F125 HydrophobicContact CB-CE1 4.27Å
95A97.8Very high98Very high0 Ų028.9 Ų28.90%012%0.124CC..Hα-helixtrans-74.2-40.7-175.200000112E49 L71 A73 V86 L89 K93 G97 V98 A99E49-A95 WeakPolarHBondContact OE1-CB 3.3Å; E49-A95 PolarHBondContact OE1-N 3.28Å; E49-A95 PolarHBondContact OE2-N 3.07Å; E49-A95 VanDerWaalsContact OE2-N 3.11Å; L71-A95 HydrophobicContact CB-CB 3.75Å; L71-A95 HydrophobicContact CD1-CB 3.99Å; A73-A95 HydrophobicContact CB-CB 3.8Å; V86-A95 HydrophobicContact CG2-CB 4.4Å; L89-A95 HydrophobicContact CD2-CB 3.9Å; K93-A95 PolarHBondContact O-N 2.83Å; A95-G97 VanDerWaalsContact C-N 3.3Å; A95-G97 PolarHBondContact O-N 2.97Å; A95-V98 PolarHBondContact O-N 2.79Å; A95-A99 PolarHBondContact O-N 3.16Å
96I98.3Very high98Very high0 Ų030.6 Ų30.60%014%0.135CC..Hα-helixtrans-62.7-36.8177.2-166.670.1000112.1E42 C45 A46 E49 A73 M74 I75 N94 A99 R100E42-I96 HydrophobicContact CG-CG2 4.22Å; C45-I96 HydrophobicContact CB-CB 3.92Å; C45-I96 HydrophobicContact CB-CD1 4.28Å; C45-I96 HydrophobicContact CB-CG1 3.77Å; C45-I96 HydrophobicContact CB-CG2 3.84Å; A46-I96 HydrophobicContact CB-CG2 3.87Å; E49-I96 PolarHBondContact OE1-N 2.93Å; A73-I96 HydrophobicContact CB-CB 4.48Å; A73-I96 HydrophobicContact CB-CD1 4.37Å; M74-I96 WeakPolarHBondContact O-CD1 3.47Å; I75-I96 HydrophobicContact CB-CD1 3.92Å; N94-I96 WeakPolarHBondContact OD1-CG2 3.23Å; I96-A99 WeakPolarHBondContact O-CB 3.44Å; I96-A99 PolarHBondContact O-N 3.5Å; I96-R100 PolarHBondContact O-N 3.29Å
97G98.4Very high97.9Very high2 Ų240.2 Ų40.22%0.02118%0.18CC..Hα-helixtrans-66.8-38.3175.400000112.1E42 N94 A95 R100 A101 F125E42-G97 WeakPolarHBondContact OE1-CA 3.42Å; N94-G97 WeakPolarHBondContact OD1-CA 3.48Å; N94-G97 PolarHBondContact OD1-N 3.13Å; A95-G97 VanDerWaalsContact C-N 3.3Å; A95-G97 PolarHBondContact O-N 2.97Å; G97-R100 PolarHBondContact O-N 3.25Å; G97-A101 PolarHBondContact O-N 3.19Å; G97-F125 VanDerWaalsContact C-CZ 3.41Å; G97-F125 WeakPolarHBondContact O-CZ 3.32Å
98V98.8Very high98Very high0 Ų046.1 Ų46.10%021%0.207CC..Hα-helixtrans-66.1-40.4172-176.50000110.6V86 L89 I92 N94 A95 R100 A101 V102 F119 A120 F125V86-V98 HydrophobicContact CG1-CB 4.22Å; V86-V98 HydrophobicContact CG1-CG1 3.64Å; L89-V98 HydrophobicContact CD2-CB 4.19Å; L89-V98 HydrophobicContact CD2-CG2 4.12Å; I92-V98 HydrophobicContact CG2-CG2 3.67Å; N94-V98 WeakPolarHBondContact O-CG2 3.36Å; N94-V98 PolarHBondContact O-N 2.87Å; A95-V98 PolarHBondContact O-N 2.79Å; V98-R100 VanDerWaalsContact C-N 3.3Å; V98-R100 PolarHBondContact O-N 3.43Å; V98-A101 CarbonylContact O-C 3.57Å; V98-A101 WeakPolarHBondContact O-CB 3.26Å; V98-A101 PolarHBondContact O-N 2.74Å; V98-A101 VanDerWaalsContact O-N 3.09Å; V98-V102 WeakPolarHBondContact O-CG2 3.25Å; V98-V102 PolarHBondContact O-N 3.13Å; V98-F119 HydrophobicContact CG1-CD1 4.16Å; V98-F119 HydrophobicContact CG1-CE1 4.32Å; V98-A120 HydrophobicContact CB-CB 4.4Å; V98-A120 HydrophobicContact CG1-CB 3.79Å; V98-A120 HydrophobicContact CG2-CB 3.56Å; V98-F125 HydrophobicContact CG2-CD1 3.8Å; V98-F125 HydrophobicContact CG2-CD2 3.98Å; V98-F125 HydrophobicContact CG2-CE1 3.88Å; V98-F125 HydrophobicContact CG2-CE2 4.06Å; V98-F125 HydrophobicContact CG2-CG 3.85Å; V98-F125 HydrophobicContact CG2-CZ 4.02Å
99A98.8Very high98Very high0 Ų048.3 Ų48.30%022%0.222CC..Hα-helixtrans-57.5-43.8173.700000111.2A73 I75 G84 V86 A95 I96 A101 V102 M103A73-A99 HydrophobicContact CB-CB 4.35Å; I75-A99 HydrophobicContact CG2-CB 4.39Å; G84-A99 CarbonylContact C-O 3.46Å; G84-A99 VanDerWaalsContact CA-O 3.23Å; G84-A99 WeakPolarHBondContact CA-O 3.39Å; V86-A99 HydrophobicContact CG2-CB 4.28Å; A95-A99 PolarHBondContact O-N 3.16Å; I96-A99 WeakPolarHBondContact O-CB 3.44Å; I96-A99 PolarHBondContact O-N 3.5Å; A99-A101 PolarHBondContact O-N 3.15Å; A99-V102 WeakPolarHBondContact O-CB 3.25Å; A99-V102 PolarHBondContact O-N 2.91Å; A99-M103 PolarHBondContact O-N 3.44Å; A99-M103 VanDerWaalsContact O-N 3.16Å
100R98.7Very high98.1Very high32 Ų3251.3 Ų51.312%0.12124%0.237CC..Hα-helixtrans-61.7-42172.7-171.5178.3-178.8163.91.2112.3D39 E42 I75 I96 G97 V98 V102 M103 E104D39-R100 IonicContact OD1-CZ 3.99Å; D39-R100 VanDerWaalsContact OD1-CZ 3.24Å; D39-R100 IonicContact OD1-NH1 2.8Å; D39-R100 PolarHBondContact OD1-NH1 2.87Å; D39-R100 IonicContact OD1-NH2 3.68Å; D39-R100 PolarHBondContact OD1-NH2 3.48Å; E42-R100 WeakPolarHBondContact OE2-CD 3.47Å; E42-R100 IonicContact OE2-CZ 2.87Å; E42-R100 IonicContact OE2-NE 3.4Å; E42-R100 IonicContact OE2-NH1 3.51Å; E42-R100 PolarHBondContact OE2-NH1 3.41Å; I75-R100 HydrophobicContact CG2-CB 4.03Å; I96-R100 PolarHBondContact O-N 3.29Å; G97-R100 PolarHBondContact O-N 3.25Å; V98-R100 VanDerWaalsContact C-N 3.3Å; V98-R100 PolarHBondContact O-N 3.43Å; R100-V102 VanDerWaalsContact C-N 3.31Å; R100-V102 PolarHBondContact O-N 3.29Å; R100-M103 HydrophobicContact CG-CE 4.22Å; R100-M103 VanDerWaalsContact O-CB 3.32Å; R100-M103 WeakPolarHBondContact O-CB 3.29Å; R100-M103 PolarHBondContact O-N 3.27Å; R100-M103 VanDerWaalsContact O-N 3.15Å; R100-E104 HydrophobicContact CG-CG 4.32Å; R100-E104 IonicContact CZ-OE1 2.95Å; R100-E104 IonicContact NE-OE1 2.82Å; R100-E104 PolarHBondContact NE-OE1 3.03Å; R100-E104 IonicContact NH2-OE1 3.52Å; R100-E104 PolarHBondContact NH2-OE1 2.88Å; R100-E104 PolarHBondContact O-N 3.06Å
101A98.8Very high98.2Very high11 Ų1149.5 Ų49.59%0.09123%0.232CC..Hα-helixtrans-62.2-37.3176.100000112.2G97 V98 A99 M103 E104 R105 F119 M123 F125G97-A101 PolarHBondContact O-N 3.19Å; V98-A101 CarbonylContact O-C 3.57Å; V98-A101 WeakPolarHBondContact O-CB 3.26Å; V98-A101 PolarHBondContact O-N 2.74Å; V98-A101 VanDerWaalsContact O-N 3.09Å; A99-A101 PolarHBondContact O-N 3.15Å; A101-M103 VanDerWaalsContact C-N 3.33Å; A101-M103 PolarHBondContact O-N 3.14Å; A101-E104 PolarHBondContact O-N 3.3Å; A101-R105 WeakPolarHBondContact O-CA 3.36Å; A101-R105 WeakPolarHBondContact O-CB 3.44Å; A101-R105 WeakPolarHBondContact O-CG 3.32Å; A101-R105 PolarHBondContact O-N 3.42Å; A101-F119 HydrophobicContact CB-CE1 4.05Å; A101-F119 HydrophobicContact CB-CZ 4.26Å; A101-M123 HydrophobicContact CB-CG 4.35Å; A101-F125 HydrophobicContact CB-CE2 3.98Å; A101-F125 HydrophobicContact CB-CZ 4.39Å
102V98.8Very high98.3Very high0 Ų050.1 Ų50.10%024%0.243CC..Hα-helixtrans-58.9-47.3172.8171.70000110.4V86 V98 A99 R100 T106 H108 L111 F119V86-V102 HydrophobicContact CG1-CG2 4Å; V98-V102 WeakPolarHBondContact O-CG2 3.25Å; V98-V102 PolarHBondContact O-N 3.13Å; A99-V102 WeakPolarHBondContact O-CB 3.25Å; A99-V102 PolarHBondContact O-N 2.91Å; R100-V102 VanDerWaalsContact C-N 3.31Å; R100-V102 PolarHBondContact O-N 3.29Å; V102-T106 PolarHBondContact O-N 3.38Å; V102-T106 PolarHBondContact O-OG1 2.95Å; V102-H108 WeakPolarHBondContact CG1-O 3.45Å; V102-L111 HydrophobicContact CG1-CG 4.33Å; V102-L111 HydrophobicContact CG2-CB 4.33Å; V102-L111 HydrophobicContact CG2-CD1 3.8Å; V102-L111 HydrophobicContact CG2-CG 3.94Å; V102-F119 HydrophobicContact CB-CE1 4.46Å; V102-F119 HydrophobicContact CG2-CD1 4.06Å; V102-F119 HydrophobicContact CG2-CE1 3.59Å; V102-F119 HydrophobicContact CG2-CZ 4.29Å
103M98.6Very high98.2Very high12 Ų1250.6 Ų50.66%0.05925%0.248CC..Hα-helixtrans-59.7-46.3178.2-169.8178.366.600112.4L38 I75 N77 E82 A99 R100 A101L38-M103 HydrophobicContact CD1-CE 3.67Å; L38-M103 HydrophobicContact CD2-CE 3.93Å; L38-M103 HydrophobicContact CG-CE 4.44Å; I75-M103 HydrophobicContact CG2-CE 4.49Å; I75-M103 HydrophobicContact CG2-SD 4.43Å; N77-M103 HydrophobicContact CB-SD 4.48Å; E82-M103 HydrophobicContact CB-CG 3.79Å; E82-M103 HydrophobicContact CB-SD 3.97Å; A99-M103 PolarHBondContact O-N 3.44Å; A99-M103 VanDerWaalsContact O-N 3.16Å; R100-M103 HydrophobicContact CG-CE 4.22Å; R100-M103 VanDerWaalsContact O-CB 3.32Å; R100-M103 WeakPolarHBondContact O-CB 3.29Å; R100-M103 PolarHBondContact O-N 3.27Å; R100-M103 VanDerWaalsContact O-N 3.15Å; A101-M103 VanDerWaalsContact C-N 3.33Å; A101-M103 PolarHBondContact O-N 3.14Å
104E98.4Very high98.2Very high88 Ų8851.3 Ų51.341%0.41125%0.253SS..Hα-helixtrans-90.8-19.1-170.1-66.8-177.5175.800114.3R100 A101R100-E104 HydrophobicContact CG-CG 4.32Å; R100-E104 IonicContact CZ-OE1 2.95Å; R100-E104 IonicContact NE-OE1 2.82Å; R100-E104 PolarHBondContact NE-OE1 3.03Å; R100-E104 IonicContact NH2-OE1 3.52Å; R100-E104 PolarHBondContact NH2-OE1 2.88Å; R100-E104 PolarHBondContact O-N 3.06Å; A101-E104 PolarHBondContact O-N 3.3Å
105R98.3Very high98.3Very high170 Ų17053.3 Ų53.364%0.64227%0.271SS*.Hα-helixtrans-119.12.5-170.4-50.5-62.8179.5-175.4-2.7113.9A101 F119 M123A101-R105 WeakPolarHBondContact O-CA 3.36Å; A101-R105 WeakPolarHBondContact O-CB 3.44Å; A101-R105 WeakPolarHBondContact O-CG 3.32Å; A101-R105 PolarHBondContact O-N 3.42Å; R105-F119 HydrophobicContact CB-CZ 4.34Å; R105-M123 HydrophobicContact CB-SD 3.88Å; R105-M123 HydrophobicContact CG-SD 3.9Å
106T98.2Very high98.3Very high37 Ų3753.3 Ų53.323%0.22727%0.271CS..  trans-140162178.282.80000110.9V102 H108 F119V102-T106 PolarHBondContact O-N 3.38Å; V102-T106 PolarHBondContact O-OG1 2.95Å; T106-H108 PolarHBondContact OG1-N 2.89Å; T106-H108 PolarHBondContact OG1-O 2.8Å; T106-H108 VanDerWaalsContact OG1-O 3.08Å; T106-F119 HydrophobicContact CG2-CD2 4.37Å; T106-F119 HydrophobicContact CG2-CE2 3.51Å; T106-F119 HydrophobicContact CG2-CZ 3.76Å
107E97.5Very high98.3Very high201 Ų20153.3 Ų53.394%0.93927%0.271SS*.SBendtrans-86.87.3167.2-62.4-176.4164.100111.9
108H98.4Very high98.3Very high126 Ų12656.5 Ų56.558%0.58329%0.29SS*.  trans-102151.9-177.4-60.5-43.3000111.1V102 T106V102-H108 WeakPolarHBondContact CG1-O 3.45Å; T106-H108 PolarHBondContact OG1-N 2.89Å; T106-H108 PolarHBondContact OG1-O 2.8Å; T106-H108 VanDerWaalsContact OG1-O 3.08Å
109T98.2Very high98.3Very high73 Ų7357.8 Ų57.845%0.44830%0.295SS..SBendtrans-90.2-32.7179.1-57.30000113.2V83 G84 A85 I224V83-T109 HydrophobicContact CB-CG2 3.88Å; V83-T109 HydrophobicContact CG1-CG2 4.04Å; G84-T109 CarbonylContact C-O 3.6Å; G84-T109 WeakPolarHBondContact CA-O 3.44Å; A85-T109 PolarHBondContact N-O 3.37Å; T109-I224 HydrophobicContact CG2-CD1 3.88Å; T109-I224 HydrophobicContact CG2-CG1 4.47Å
110M98.6Very high98.3Very high63 Ų6357.8 Ų57.831%0.3130%0.295SS..EExtended strand (participates in β ladder)trans-144.4132.4-170.6178.5175.7-87.400111.6A85 V112 P222 I223A85-M110 HydrophobicContact CB-CB 4.15Å; A85-M110 HydrophobicContact CB-CE 3.57Å; A85-M110 HydrophobicContact CB-CG 4.19Å; A85-M110 WeakPolarHBondContact O-CA 3.32Å; M110-V112 HydrophobicContact CG-CG1 3.96Å; M110-V112 HydrophobicContact SD-CG1 4.16Å; M110-P222 HydrophobicContact CE-CB 4.01Å; M110-P222 WeakPolarHBondContact CE-O 3.14Å; M110-I223 HydrophobicContact CE-CD1 4.17Å
111L98.8Very high98.3Very high38 Ų3860.5 Ų60.520%0.19931%0.31CS..EExtended strand (participates in β ladder)trans-118.4148.3168.9-59.8-176.8000109.7A85 V86 A87 V102 A116 F119A85-L111 PolarHBondContact O-N 2.86Å; A85-L111 VanDerWaalsContact O-N 3.08Å; V86-L111 VanDerWaalsContact CA-O 3.26Å; V86-L111 WeakPolarHBondContact CA-O 3.46Å; A87-L111 PolarHBondContact N-O 2.69Å; V102-L111 HydrophobicContact CG1-CG 4.33Å; V102-L111 HydrophobicContact CG2-CB 4.33Å; V102-L111 HydrophobicContact CG2-CD1 3.8Å; V102-L111 HydrophobicContact CG2-CG 3.94Å; L111-A116 HydrophobicContact CB-CB 3.87Å; L111-F119 HydrophobicContact CD1-CB 3.77Å; L111-F119 HydrophobicContact CD1-CD1 3.62Å; L111-F119 HydrophobicContact CD1-CD2 3.99Å; L111-F119 HydrophobicContact CD1-CE1 4.2Å; L111-F119 HydrophobicContact CD1-CG 3.49Å; L111-F119 VanDerWaalsContact CD1-CG 3.49Å
112V98.4Very high98.3Very high80 Ų8065.8 Ų65.849%0.48534%0.336SS..EExtended strand (participates in β ladder)trans-135.2155.7-176-54.80000113.8A87 M110 A116A87-V112 HydrophobicContact CB-CG1 3.84Å; A87-V112 CarbonylContact O-C 3.56Å; A87-V112 WeakPolarHBondContact O-CA 3Å; A87-V112 WeakPolarHBondContact O-CB 3.39Å; M110-V112 HydrophobicContact CG-CG1 3.96Å; M110-V112 HydrophobicContact SD-CG1 4.16Å; V112-A116 PolarHBondContact O-N 2.66Å
113G97Very high98.2Very high11 Ų1169.6 Ų69.611%0.11336%0.355CS..Hα-helixtrans64.3-150.2170.300000113.5A87 D88 S115 A116 S117A87-G113 PolarHBondContact O-N 2.69Å; D88-G113 WeakPolarHBondContact O-CA 3.5Å; G113-S115 PolarHBondContact O-N 3.3Å; G113-A116 WeakPolarHBondContact O-CB 3.41Å; G113-A116 PolarHBondContact O-N 2.92Å; G113-S117 PolarHBondContact O-N 2.82Å
114E96.9Very high98.2Very high82 Ų8272 Ų7238%0.38338%0.383SS..Hα-helixtrans-55.7-34.4179.1-172.363-158.700113.5R90 R91 A116 S117 V118R90-E114 IonicContact NE-OE2 3.57Å; R90-E114 IonicContact NH1-OE2 2.69Å; R91-E114 IonicContact CZ-OE1 3.05Å; R91-E114 IonicContact CZ-OE2 3.8Å; R91-E114 IonicContact NH1-OE1 3.66Å; R91-E114 IonicContact NH1-OE2 2.63Å; R91-E114 PolarHBondContact NH1-OE2 3.29Å; R91-E114 IonicContact NH2-OE1 3.12Å; R91-E114 PolarHBondContact NH2-OE1 2.94Å; R91-E114 IonicContact NH2-OE2 2.61Å; R91-E114 PolarHBondContact NH2-OE2 3.47Å; E114-A116 VanDerWaalsContact C-N 3.32Å; E114-A116 PolarHBondContact O-N 2.87Å; E114-S117 WeakPolarHBondContact O-CB 3.26Å; E114-S117 PolarHBondContact O-N 3.34Å; E114-V118 PolarHBondContact O-N 2.75Å; E114-V118 VanDerWaalsContact O-N 3.1Å
115S98.2Very high98.2Very high93 Ų9370 Ų7065%0.6537%0.373SS*.Hα-helixtrans-70.1-30179.7-62.70000112.5G113 S117 F119G113-S115 PolarHBondContact O-N 3.3Å; S115-S117 VanDerWaalsContact C-N 3.34Å; S115-F119 PolarHBondContact O-N 3.16Å
116A98.4Very high98.2Very high0 Ų066.6 Ų66.60%037%0.371CS..Hα-helixtrans-67.2-37.2172.200000111.4V86 L89 L111 V112 G113 E114 F119 A120V86-A116 HydrophobicContact CG1-CB 4.39Å; L89-A116 HydrophobicContact CD1-CB 3.74Å; L111-A116 HydrophobicContact CB-CB 3.87Å; V112-A116 PolarHBondContact O-N 2.66Å; G113-A116 WeakPolarHBondContact O-CB 3.41Å; G113-A116 PolarHBondContact O-N 2.92Å; E114-A116 VanDerWaalsContact C-N 3.32Å; E114-A116 PolarHBondContact O-N 2.87Å; A116-F119 WeakPolarHBondContact O-CB 3.35Å; A116-F119 PolarHBondContact O-N 3.1Å; A116-A120 WeakPolarHBondContact O-CB 3.2Å; A116-A120 PolarHBondContact O-N 2.88Å
117S98.2Very high98.1Very high0 Ų066.8 Ų66.80%038%0.376CS..Hα-helixtrans-64.2-45.6174.9-53.20000111.9R90 G113 E114 S115 F119 A120 E121R90-S117 PolarHBondContact N-OG 3.1Å; R90-S117 WeakPolarHBondContact O-CB 3.33Å; R90-S117 PolarHBondContact O-OG 2.88Å; G113-S117 PolarHBondContact O-N 2.82Å; E114-S117 WeakPolarHBondContact O-CB 3.26Å; E114-S117 PolarHBondContact O-N 3.34Å; S115-S117 VanDerWaalsContact C-N 3.34Å; S117-F119 VanDerWaalsContact C-N 3.29Å; S117-F119 PolarHBondContact O-N 3.47Å; S117-A120 WeakPolarHBondContact O-CB 3.33Å; S117-A120 PolarHBondContact O-N 2.89Å; S117-A120 VanDerWaalsContact O-N 3.09Å; S117-E121 WeakPolarHBondContact O-CG 3.29Å; S117-E121 PolarHBondContact O-N 2.75Å
118V98.4Very high98Very high70 Ų7061 Ų6142%0.42435%0.349SS..Hα-helixtrans-60.5-41.3175.8173.20000111.2E114 E121 N122E114-V118 PolarHBondContact O-N 2.75Å; E114-V118 VanDerWaalsContact O-N 3.1Å; V118-E121 PolarHBondContact O-N 3.15Å; V118-N122 VanDerWaalsContact O-CG 3.26Å; V118-N122 PolarHBondContact O-N 2.98Å; V118-N122 VanDerWaalsContact O-N 3.08Å; V118-N122 PolarHBondContact O-ND2 2.82Å; V118-N122 VanDerWaalsContact O-ND2 3.12Å
119F98.7Very high97.8Very high27 Ų2760.2 Ų60.212%0.11835%0.349CS..Hα-helixtrans-60-47.3172.7167.6-98000111.5V98 A101 V102 R105 T106 L111 S115 A116 S117 E121 N122 M123V98-F119 HydrophobicContact CG1-CD1 4.16Å; V98-F119 HydrophobicContact CG1-CE1 4.32Å; A101-F119 HydrophobicContact CB-CE1 4.05Å; A101-F119 HydrophobicContact CB-CZ 4.26Å; V102-F119 HydrophobicContact CB-CE1 4.46Å; V102-F119 HydrophobicContact CG2-CD1 4.06Å; V102-F119 HydrophobicContact CG2-CE1 3.59Å; V102-F119 HydrophobicContact CG2-CZ 4.29Å; R105-F119 HydrophobicContact CB-CZ 4.34Å; T106-F119 HydrophobicContact CG2-CD2 4.37Å; T106-F119 HydrophobicContact CG2-CE2 3.51Å; T106-F119 HydrophobicContact CG2-CZ 3.76Å; L111-F119 HydrophobicContact CD1-CB 3.77Å; L111-F119 HydrophobicContact CD1-CD1 3.62Å; L111-F119 HydrophobicContact CD1-CD2 3.99Å; L111-F119 HydrophobicContact CD1-CE1 4.2Å; L111-F119 HydrophobicContact CD1-CG 3.49Å; L111-F119 VanDerWaalsContact CD1-CG 3.49Å; S115-F119 PolarHBondContact O-N 3.16Å; A116-F119 WeakPolarHBondContact O-CB 3.35Å; A116-F119 PolarHBondContact O-N 3.1Å; S117-F119 VanDerWaalsContact C-N 3.29Å; S117-F119 PolarHBondContact O-N 3.47Å; F119-E121 PolarHBondContact O-N 2.97Å; F119-N122 WeakPolarHBondContact O-CB 3.27Å; F119-N122 PolarHBondContact O-N 2.94Å; F119-N122 VanDerWaalsContact O-N 3.16Å; F119-M123 HydrophobicContact CD1-CG 4.35Å; F119-M123 HydrophobicContact CD2-CG 4.22Å; F119-M123 HydrophobicContact CE1-CG 3.87Å; F119-M123 HydrophobicContact CE2-CE 4.3Å; F119-M123 HydrophobicContact CE2-CG 3.71Å; F119-M123 HydrophobicContact CE2-SD 3.94Å; F119-M123 HydrophobicContact CZ-CG 3.53Å; F119-M123 HydrophobicContact CZ-SD 4.05Å; F119-M123 WeakPolarHBondContact O-CG 3.45Å; F119-M123 PolarHBondContact O-N 2.85Å
120A98.6Very high97.6Very high0 Ų056.9 Ų56.90%033%0.329CS..Hα-helixtrans-58.1-46.5178.300000111.8I92 V98 A116 S117 N122 M123 G124 F125I92-A120 HydrophobicContact CD1-CB 3.93Å; I92-A120 HydrophobicContact CG1-CB 3.79Å; I92-A120 HydrophobicContact CG2-CB 4.43Å; V98-A120 HydrophobicContact CB-CB 4.4Å; V98-A120 HydrophobicContact CG1-CB 3.79Å; V98-A120 HydrophobicContact CG2-CB 3.56Å; A116-A120 WeakPolarHBondContact O-CB 3.2Å; A116-A120 PolarHBondContact O-N 2.88Å; S117-A120 WeakPolarHBondContact O-CB 3.33Å; S117-A120 PolarHBondContact O-N 2.89Å; S117-A120 VanDerWaalsContact O-N 3.09Å; A120-N122 VanDerWaalsContact C-N 3.31Å; A120-N122 PolarHBondContact O-N 2.72Å; A120-M123 CarbonylContact O-C 3.53Å; A120-M123 WeakPolarHBondContact O-CA 3.46Å; A120-M123 PolarHBondContact O-N 2.94Å; A120-G124 PolarHBondContact O-N 2.98Å; A120-F125 HydrophobicContact CB-CB 4.01Å; A120-F125 HydrophobicContact CB-CD2 4.19Å; A120-F125 HydrophobicContact CB-CG 4.27Å; A120-F125 WeakPolarHBondContact O-CB 3.2Å; A120-F125 VanDerWaalsContact O-CD2 3.3Å; A120-F125 WeakPolarHBondContact O-CD2 3.19Å; A120-F125 PolarHBondContact O-N 2.98Å
121E98.5Very high97.4Very high89 Ų8955.8 Ų55.842%0.41633%0.325SS..Hα-helixtrans-59-42.3176.2-70179.3-106.500111.8I92 S117 V118 F119 M123 G124 A127I92-E121 HydrophobicContact CD1-CG 4.33Å; S117-E121 WeakPolarHBondContact O-CG 3.29Å; S117-E121 PolarHBondContact O-N 2.75Å; V118-E121 PolarHBondContact O-N 3.15Å; F119-E121 PolarHBondContact O-N 2.97Å; E121-M123 PolarHBondContact O-N 2.85Å; E121-G124 PolarHBondContact O-N 3.14Å; E121-A127 HydrophobicContact CG-CB 3.93Å
122N98.3Very high97.1Very high121 Ų12155.3 Ų55.365%0.64732%0.324SS*.Hα-helixtrans-64.1-28.1175.6-70-32.3000113V118 F119 A120 G124V118-N122 VanDerWaalsContact O-CG 3.26Å; V118-N122 PolarHBondContact O-N 2.98Å; V118-N122 VanDerWaalsContact O-N 3.08Å; V118-N122 PolarHBondContact O-ND2 2.82Å; V118-N122 VanDerWaalsContact O-ND2 3.12Å; F119-N122 WeakPolarHBondContact O-CB 3.27Å; F119-N122 PolarHBondContact O-N 2.94Å; F119-N122 VanDerWaalsContact O-N 3.16Å; A120-N122 VanDerWaalsContact C-N 3.31Å; A120-N122 PolarHBondContact O-N 2.72Å; N122-G124 VanDerWaalsContact C-N 3.27Å
123M98.3Very high96.9Very high81 Ų8158.3 Ų58.340%0.39934%0.338SS..THydrogen-bonded Turntrans-84.20.7174.8-62.6-58.795.200113A101 R105 F119 A120 E121 F125A101-M123 HydrophobicContact CB-CG 4.35Å; R105-M123 HydrophobicContact CB-SD 3.88Å; R105-M123 HydrophobicContact CG-SD 3.9Å; F119-M123 HydrophobicContact CD1-CG 4.35Å; F119-M123 HydrophobicContact CD2-CG 4.22Å; F119-M123 HydrophobicContact CE1-CG 3.87Å; F119-M123 HydrophobicContact CE2-CE 4.3Å; F119-M123 HydrophobicContact CE2-CG 3.71Å; F119-M123 HydrophobicContact CE2-SD 3.94Å; F119-M123 HydrophobicContact CZ-CG 3.53Å; F119-M123 HydrophobicContact CZ-SD 4.05Å; F119-M123 WeakPolarHBondContact O-CG 3.45Å; F119-M123 PolarHBondContact O-N 2.85Å; A120-M123 CarbonylContact O-C 3.53Å; A120-M123 WeakPolarHBondContact O-CA 3.46Å; A120-M123 PolarHBondContact O-N 2.94Å; E121-M123 PolarHBondContact O-N 2.85Å; M123-F125 HydrophobicContact CB-CD2 3.96Å; M123-F125 HydrophobicContact CB-CE2 4.02Å
124G98.1Very high96.6Very high63 Ų6363.6 Ų63.665%0.64936%0.359SS*.THydrogen-bonded Turntrans93.88.517600000115A120 E121 N122A120-G124 PolarHBondContact O-N 2.98Å; E121-G124 PolarHBondContact O-N 3.14Å; N122-G124 VanDerWaalsContact C-N 3.27Å
125F98.3Very high96.5Very high46 Ų4659.8 Ų59.820%0.20234%0.342CS..PPolyproline II helixtrans-72.3146.6170.2-65.1-96.9000110.2I92 N94 G97 V98 A101 A120 M123I92-F125 HydrophobicContact CD1-CB 4.14Å; I92-F125 HydrophobicContact CG2-CB 4.02Å; I92-F125 HydrophobicContact CG2-CD1 4.22Å; I92-F125 HydrophobicContact CG2-CG 4.38Å; N94-F125 HydrophobicContact CB-CD1 4.37Å; N94-F125 HydrophobicContact CB-CE1 4.27Å; G97-F125 VanDerWaalsContact C-CZ 3.41Å; G97-F125 WeakPolarHBondContact O-CZ 3.32Å; V98-F125 HydrophobicContact CG2-CD1 3.8Å; V98-F125 HydrophobicContact CG2-CD2 3.98Å; V98-F125 HydrophobicContact CG2-CE1 3.88Å; V98-F125 HydrophobicContact CG2-CE2 4.06Å; V98-F125 HydrophobicContact CG2-CG 3.85Å; V98-F125 HydrophobicContact CG2-CZ 4.02Å; A101-F125 HydrophobicContact CB-CE2 3.98Å; A101-F125 HydrophobicContact CB-CZ 4.39Å; A120-F125 HydrophobicContact CB-CB 4.01Å; A120-F125 HydrophobicContact CB-CD2 4.19Å; A120-F125 HydrophobicContact CB-CG 4.27Å; A120-F125 WeakPolarHBondContact O-CB 3.2Å; A120-F125 VanDerWaalsContact O-CD2 3.3Å; A120-F125 WeakPolarHBondContact O-CD2 3.19Å; A120-F125 PolarHBondContact O-N 2.98Å; M123-F125 HydrophobicContact CB-CD2 3.96Å; M123-F125 HydrophobicContact CB-CE2 4.02Å
126V97.6Very high96.3Very high97 Ų9759.7 Ų59.759%0.58833%0.334SS*.PPolyproline II helixtrans-89.4126.7-178.4-1790000109.6I92 E128I92-V126 WeakPolarHBondContact CD1-O 3.48Å; V126-E128 HydrophobicContact CG1-CG 4.35Å
127A97Very high96.1Very high42 Ų4263.6 Ų63.635%0.34735%0.354SS..PPolyproline II helixtrans-76.7121.5169.400000110.7R91 I92 E121R91-A127 CarbonylContact O-C 3.54Å; R91-A127 VanDerWaalsContact O-CA 3.24Å; R91-A127 WeakPolarHBondContact O-CA 3.25Å; I92-A127 HydrophobicContact CD1-CB 4.37Å; E121-A127 HydrophobicContact CG-CB 3.93Å
128E95.3Very high95.8Very high80 Ų8065.5 Ų65.537%0.37437%0.366SS..  trans-149.5156.1-178.733.8179.9130.600111.3R91 K93 V126 L130R91-E128 CarbonylContact C-O 3.54Å; R91-E128 VanDerWaalsContact C-O 3.28Å; R91-E128 WeakPolarHBondContact CA-O 3.4Å; R91-E128 WeakPolarHBondContact CB-O 3.44Å; R91-E128 PolarHBondContact O-N 3.08Å; R91-E128 VanDerWaalsContact O-O 3.05Å; K93-E128 HydrophobicContact CD-CG 4.4Å; K93-E128 WeakPolarHBondContact CD-OE2 3.24Å; K93-E128 WeakPolarHBondContact CE-OE2 3.4Å; K93-E128 HydrophobicContact CG-CG 4.42Å; K93-E128 IonicContact NZ-OE2 2.67Å; K93-E128 PolarHBondContact NZ-OE2 2.94Å; V126-E128 HydrophobicContact CG1-CG 4.35Å; E128-L130 PolarHBondContact O-N 2.96Å
129D93.6Very high95.7Very high108 Ų10864 Ų6458%0.57835%0.353SS*.  trans-64.8130.5-179.4-167.4-1.3000110.6T131D129-T131 VanDerWaalsContact C-N 3.29Å; D129-T131 WeakPolarHBondContact OD1-CB 3.26Å; D129-T131 PolarHBondContact OD1-N 3.41Å; D129-T131 PolarHBondContact OD1-OG1 3.02Å
130L95.3Very high95.5Very high3 Ų364.8 Ų64.82%0.01636%0.363CS..  trans-87.6-4175.3-58-178.6000111.9F59 G60 T69 L71 K93 E128F59-L130 CarbonylContact C-O 3.52Å; F59-L130 HydrophobicContact CB-CB 3.97Å; F59-L130 HydrophobicContact CB-CD2 3.84Å; F59-L130 HydrophobicContact CB-CG 4.49Å; F59-L130 WeakPolarHBondContact CB-O 3.41Å; G60-L130 WeakPolarHBondContact CA-O 3.47Å; G60-L130 PolarHBondContact N-O 2.85Å; T69-L130 HydrophobicContact CG2-CB 4.31Å; T69-L130 WeakPolarHBondContact O-CD1 3.38Å; L71-L130 HydrophobicContact CD1-CD1 4.17Å; L71-L130 HydrophobicContact CD2-CD1 4.45Å; L71-L130 HydrophobicContact CG-CD1 3.91Å; K93-L130 HydrophobicContact CB-CD2 4.39Å; K93-L130 HydrophobicContact CG-CD2 3.6Å; E128-L130 PolarHBondContact O-N 2.96Å
131T93.1Very high95.4Very high40 Ų4070.2 Ų70.225%0.24539%0.388CS..  trans-78.1137.9-178.8-49.30000111.1D129 S135 L136D129-T131 VanDerWaalsContact C-N 3.29Å; D129-T131 WeakPolarHBondContact OD1-CB 3.26Å; D129-T131 PolarHBondContact OD1-N 3.41Å; D129-T131 PolarHBondContact OD1-OG1 3.02Å; T131-S135 WeakPolarHBondContact CG2-OG 3.43Å; T131-L136 HydrophobicContact CG2-CD1 4.07Å; T131-L136 HydrophobicContact CG2-CD2 3.6Å; T131-L136 HydrophobicContact CG2-CG 3.51Å
132T93.3Very high95.2Very high28 Ų2866.7 Ų66.717%0.17237%0.371CS..  trans-122164.8170.864.50000111.1F59 G60 E134 S135 L136F59-T132 HydrophobicContact CD2-CG2 3.53Å; F59-T132 HydrophobicContact CE2-CG2 3.73Å; G60-T132 VanDerWaalsContact CA-CG2 3.46Å; G60-T132 WeakPolarHBondContact CA-OG1 3.19Å; G60-T132 PolarHBondContact O-OG1 2.88Å; T132-E134 PolarHBondContact O-N 3.26Å; T132-E134 VanDerWaalsContact O-N 3.15Å; T132-E134 PolarHBondContact OG1-N 2.82Å; T132-S135 PolarHBondContact N-OG 3.19Å; T132-S135 PolarHBondContact O-N 3.45Å; T132-S135 PolarHBondContact O-OG 2.9Å; T132-S135 PolarHBondContact OG1-N 2.85Å; T132-S135 PolarHBondContact OG1-OG 2.84Å; T132-L136 WeakPolarHBondContact O-CG 3.38Å; T132-L136 PolarHBondContact O-N 2.99Å
133N94Very high95Very high144 Ų14464.6 Ų64.677%0.7736%0.359SS*.Hα-helixtrans-55-31.5171.6-69.6-23.7000112.7N137N133-N137 WeakPolarHBondContact O-CB 3.27Å; N133-N137 PolarHBondContact O-N 3.19Å
134E91.6Very high94.9Very high122 Ų12268.5 Ų68.557%0.5737%0.374SS*.Hα-helixtrans-68.2-54.5176-176.8164.3-167.900111.5T132 L136 N137 V138T132-E134 PolarHBondContact O-N 3.26Å; T132-E134 VanDerWaalsContact O-N 3.15Å; T132-E134 PolarHBondContact OG1-N 2.82Å; E134-L136 VanDerWaalsContact C-N 3.27Å; E134-L136 PolarHBondContact O-N 2.73Å; E134-N137 WeakPolarHBondContact O-CB 3.39Å; E134-N137 PolarHBondContact O-N 2.99Å; E134-V138 WeakPolarHBondContact O-CG2 3.32Å; E134-V138 PolarHBondContact O-N 2.91Å
135S93.1Very high94.7Very high1 Ų167.1 Ų67.11%0.00736%0.36CS..Hα-helixtrans-56.5-39.2175.4570000112.9G60 T131 T132 N137 V138 F139G60-S135 VanDerWaalsContact O-CB 3.3Å; G60-S135 WeakPolarHBondContact O-CB 3.2Å; G60-S135 PolarHBondContact O-N 3.5Å; T131-S135 WeakPolarHBondContact CG2-OG 3.43Å; T132-S135 PolarHBondContact N-OG 3.19Å; T132-S135 PolarHBondContact O-N 3.45Å; T132-S135 PolarHBondContact O-OG 2.9Å; T132-S135 PolarHBondContact OG1-N 2.85Å; T132-S135 PolarHBondContact OG1-OG 2.84Å; S135-N137 VanDerWaalsContact C-N 3.35Å; S135-N137 PolarHBondContact O-N 3.34Å; S135-V138 PolarHBondContact O-N 3.43Å; S135-F139 WeakPolarHBondContact O-CB 3.34Å; S135-F139 PolarHBondContact O-N 3.4Å
136L94.6Very high94.4Very high92 Ų9269.7 Ų69.748%0.48238%0.376SS..Hα-helixtrans-63.3-41175.6-72173.1000112T131 T132 E134 S140T131-L136 HydrophobicContact CG2-CD1 4.07Å; T131-L136 HydrophobicContact CG2-CD2 3.6Å; T131-L136 HydrophobicContact CG2-CG 3.51Å; T132-L136 WeakPolarHBondContact O-CG 3.38Å; T132-L136 PolarHBondContact O-N 2.99Å; E134-L136 VanDerWaalsContact C-N 3.27Å; E134-L136 PolarHBondContact O-N 2.73Å; L136-S140 VanDerWaalsContact O-CB 3.27Å; L136-S140 WeakPolarHBondContact O-CB 3.39Å; L136-S140 PolarHBondContact O-N 3.47Å
137N94.5Very high94.1Very high82 Ų8265.3 Ų65.344%0.43935%0.349SS..Hα-helixtrans-68.2-44.1176.7176.659.7000111.3N133 E134 S135 F139 S140 Q141N133-N137 WeakPolarHBondContact O-CB 3.27Å; N133-N137 PolarHBondContact O-N 3.19Å; E134-N137 WeakPolarHBondContact O-CB 3.39Å; E134-N137 PolarHBondContact O-N 2.99Å; S135-N137 VanDerWaalsContact C-N 3.35Å; S135-N137 PolarHBondContact O-N 3.34Å; N137-F139 VanDerWaalsContact C-N 3.34Å; N137-F139 PolarHBondContact O-N 3.46Å; N137-S140 PolarHBondContact O-N 3.05Å; N137-Q141 PolarHBondContact ND2-NE2 3.4Å; N137-Q141 WeakPolarHBondContact O-CB 3.27Å; N137-Q141 VanDerWaalsContact O-CG 3.28Å; N137-Q141 WeakPolarHBondContact O-CG 3.19Å; N137-Q141 PolarHBondContact O-N 3.06Å; N137-Q141 PolarHBondContact OD1-NE2 3.2Å
138V92.6Very high93.8Very high40 Ų4066.3 Ų66.324%0.24235%0.347CS..Hα-helixtrans-56.4-49.4174.5170.20000110.3P63 E134 S135 Q141 W142P63-V138 HydrophobicContact CG-CG1 4.41Å; E134-V138 WeakPolarHBondContact O-CG2 3.32Å; E134-V138 PolarHBondContact O-N 2.91Å; S135-V138 PolarHBondContact O-N 3.43Å; V138-Q141 PolarHBondContact O-N 2.91Å; V138-W142 WeakPolarHBondContact O-CB 3.47Å; V138-W142 PolarHBondContact O-N 3.32Å
139F94.9Very high93.5Very high37 Ų3764.8 Ų64.816%0.16234%0.344CS..Hα-helixtrans-63.5-43.2177.6-174.7-120.3000112.7P63 E65 S135 N137 Q141 W142 L143P63-F139 HydrophobicContact CG-CB 4.16Å; E65-F139 WeakPolarHBondContact O-CE2 2.92Å; S135-F139 WeakPolarHBondContact O-CB 3.34Å; S135-F139 PolarHBondContact O-N 3.4Å; N137-F139 VanDerWaalsContact C-N 3.34Å; N137-F139 PolarHBondContact O-N 3.46Å; F139-Q141 PolarHBondContact O-N 3.24Å; F139-W142 AromaticContact CD2-CE3 3.9Å; F139-W142 HydrophobicContact CD2-CE3 3.9Å; F139-W142 HydrophobicContact CD2-CZ3 4.32Å; F139-W142 AromaticContact CE2-CE3 3.73Å; F139-W142 HydrophobicContact CE2-CE3 3.73Å; F139-W142 AromaticContact CE2-CZ3 3.7Å; F139-W142 HydrophobicContact CE2-CZ3 3.7Å; F139-W142 WeakPolarHBondContact O-CB 3.31Å; F139-W142 PolarHBondContact O-N 2.9Å; F139-L143 HydrophobicContact CD1-CD1 4.03Å; F139-L143 HydrophobicContact CE1-CD1 3.64Å; F139-L143 HydrophobicContact CE1-CG 4.3Å; F139-L143 HydrophobicContact CE2-CD2 4.38Å; F139-L143 HydrophobicContact CE2-CG 4.31Å; F139-L143 HydrophobicContact CZ-CD1 3.9Å; F139-L143 HydrophobicContact CZ-CD2 4.18Å; F139-L143 HydrophobicContact CZ-CG 4.14Å; F139-L143 WeakPolarHBondContact O-CG 3.29Å; F139-L143 PolarHBondContact O-N 2.84Å
140S95.9Very high93.1Very high45 Ų4560.2 Ų60.232%0.31532%0.319SS..Hα-helixtrans-63.1-40.2177.1-174.70000112.5L136 N137 L143 K144L136-S140 VanDerWaalsContact O-CB 3.27Å; L136-S140 WeakPolarHBondContact O-CB 3.39Å; L136-S140 PolarHBondContact O-N 3.47Å; N137-S140 PolarHBondContact O-N 3.05Å; S140-L143 PolarHBondContact O-N 3.41Å; S140-K144 VanDerWaalsContact O-CG 3.31Å; S140-K144 WeakPolarHBondContact O-CG 3.13Å; S140-K144 PolarHBondContact O-N 2.92Å
141Q95.1Very high92.9Very high114 Ų11462.5 Ų62.553%0.53333%0.328SS..Hα-helixtrans-66.2-41.7176-72.1-17912.200111.4N137 V138 F139 K144 G145N137-Q141 PolarHBondContact ND2-NE2 3.4Å; N137-Q141 WeakPolarHBondContact O-CB 3.27Å; N137-Q141 VanDerWaalsContact O-CG 3.28Å; N137-Q141 WeakPolarHBondContact O-CG 3.19Å; N137-Q141 PolarHBondContact O-N 3.06Å; N137-Q141 PolarHBondContact OD1-NE2 3.2Å; V138-Q141 PolarHBondContact O-N 2.91Å; F139-Q141 PolarHBondContact O-N 3.24Å; Q141-K144 PolarHBondContact O-N 3.09Å; Q141-G145 PolarHBondContact O-N 3.48Å
142W94.8Very high92.8Very high14 Ų1463.9 Ų63.95%0.05333%0.329CS..Hα-helixtrans-61-44.1175.2179.479.5000112.6E65 V138 F139 K144 G145 C147 Q148 P149 H212E65-W142 HydrophobicContact CB-CH2 3.69Å; E65-W142 HydrophobicContact CB-CZ2 4.24Å; E65-W142 HydrophobicContact CB-CZ3 4.4Å; V138-W142 WeakPolarHBondContact O-CB 3.47Å; V138-W142 PolarHBondContact O-N 3.32Å; F139-W142 AromaticContact CD2-CE3 3.9Å; F139-W142 HydrophobicContact CD2-CE3 3.9Å; F139-W142 HydrophobicContact CD2-CZ3 4.32Å; F139-W142 AromaticContact CE2-CE3 3.73Å; F139-W142 HydrophobicContact CE2-CE3 3.73Å; F139-W142 AromaticContact CE2-CZ3 3.7Å; F139-W142 HydrophobicContact CE2-CZ3 3.7Å; F139-W142 WeakPolarHBondContact O-CB 3.31Å; F139-W142 PolarHBondContact O-N 2.9Å; W142-K144 PolarHBondContact O-N 3.3Å; W142-G145 CarbonylContact O-C 3.44Å; W142-G145 WeakPolarHBondContact O-CA 3.41Å; W142-G145 PolarHBondContact O-N 3.03Å; W142-G145 VanDerWaalsContact O-N 3.08Å; W142-C147 HydrophobicContact CD2-CB 4.17Å; W142-C147 VanDerWaalsContact CE2-C 3.4Å; W142-C147 HydrophobicContact CE3-CB 4.3Å; W142-C147 HydrophobicContact CH2-CB 3.49Å; W142-C147 VanDerWaalsContact CH2-CB 3.49Å; W142-C147 WeakPolarHBondContact CH2-SG 3.41Å; W142-C147 HydrophobicContact CZ2-CB 3.34Å; W142-C147 HydrophobicContact CZ3-CB 3.99Å; W142-C147 WeakPolarHBondContact CZ3-SG 3.42Å; W142-C147 PolarHBondContact NE1-O 3.3Å; W142-C147 WeakPolarHBondContact O-CA 3.32Å; W142-C147 PolarHBondContact O-N 3.15Å; W142-Q148 VanDerWaalsContact CD1-O 3.26Å; W142-P149 PolarHBondContact NE1-O 3.49Å; W142-H212 WeakPolarHBondContact CB-CE1 3.3Å; W142-H212 WeakPolarHBondContact CB-NE2 3.14Å; W142-H212 AromaticContact CD1-CD2 3.19Å; W142-H212 AromaticContact CD1-CE1 3.83Å; W142-H212 AromaticContact CD1-CG 3.44Å; W142-H212 VanDerWaalsContact CD1-CG 3.44Å; W142-H212 AromaticContact CD1-ND1 3.84Å; W142-H212 AromaticContact CD1-NE2 3.46Å; W142-H212 HydrophobicContact CD2-CB 4.3Å; W142-H212 AromaticContact CD2-CG 3.79Å; W142-H212 AromaticContact CD2-ND1 3.63Å; W142-H212 AromaticContact CE2-CG 3.68Å; W142-H212 AromaticContact CE2-ND1 3.99Å; W142-H212 AromaticContact CG-CD2 3.63Å; W142-H212 AromaticContact CG-CE1 3.44Å; W142-H212 VanDerWaalsContact CG-CE1 3.44Å; W142-H212 AromaticContact CG-CG 3.64Å; W142-H212 AromaticContact CG-ND1 3.54Å; W142-H212 AromaticContact CG-NE2 3.51Å; W142-H212 HydrophobicContact CZ2-CB 4.06Å; W142-H212 AromaticContact NE1-CD2 3.57Å; W142-H212 AromaticContact NE1-CG 3.44Å
143L94.4Very high92.7Very high77 Ų7770.2 Ų70.240%0.40335%0.354SS..Hα-helixtrans-60.9-43174-71.6176.1000112.1F139 S140 G145 N146F139-L143 HydrophobicContact CD1-CD1 4.03Å; F139-L143 HydrophobicContact CE1-CD1 3.64Å; F139-L143 HydrophobicContact CE1-CG 4.3Å; F139-L143 HydrophobicContact CE2-CD2 4.38Å; F139-L143 HydrophobicContact CE2-CG 4.31Å; F139-L143 HydrophobicContact CZ-CD1 3.9Å; F139-L143 HydrophobicContact CZ-CD2 4.18Å; F139-L143 HydrophobicContact CZ-CG 4.14Å; F139-L143 WeakPolarHBondContact O-CG 3.29Å; F139-L143 PolarHBondContact O-N 2.84Å; S140-L143 PolarHBondContact O-N 3.41Å; L143-G145 PolarHBondContact O-N 2.92Å; L143-N146 PolarHBondContact O-N 3.38Å
144K95.1Very high92.4Very high164 Ų16468.5 Ų68.571%0.71335%0.345SS*.Hα-helixtrans-64.6-28.3174.5-71.3169.5-174.7168.30112.5S140 Q141 W142 N146S140-K144 VanDerWaalsContact O-CG 3.31Å; S140-K144 WeakPolarHBondContact O-CG 3.13Å; S140-K144 PolarHBondContact O-N 2.92Å; Q141-K144 PolarHBondContact O-N 3.09Å; W142-K144 PolarHBondContact O-N 3.3Å; K144-N146 PolarHBondContact O-N 3.19Å
145G93.8Very high92.4Very high34 Ų3463.7 Ų63.735%0.35132%0.324SS..THydrogen-bonded Turntrans-83.420.5175.800000114.7Q141 W142 L143 C147 Q148Q141-G145 PolarHBondContact O-N 3.48Å; W142-G145 CarbonylContact O-C 3.44Å; W142-G145 WeakPolarHBondContact O-CA 3.41Å; W142-G145 PolarHBondContact O-N 3.03Å; W142-G145 VanDerWaalsContact O-N 3.08Å; L143-G145 PolarHBondContact O-N 2.92Å; G145-C147 PolarHBondContact O-N 3.36Å; G145-Q148 PolarHBondContact O-N 2.99Å
146N92.7Very high92.2Very high100 Ų10067 Ų6754%0.53535%0.347SS..THydrogen-bonded Turntrans5539.3-175.7-56.9-51.2000113L143 K144 Q148 C163L143-N146 PolarHBondContact O-N 3.38Å; K144-N146 PolarHBondContact O-N 3.19Å; N146-Q148 PolarHBondContact O-N 3.34Å; N146-Q148 PolarHBondContact O-NE2 2.92Å; N146-Q148 VanDerWaalsContact O-NE2 3.09Å; N146-C163 VanDerWaalsContact C-SG 3.55Å
147C91.4Very high92.1Very high4 Ų464.9 Ų64.93%0.02734%0.339CS..THydrogen-bonded Turntrans61.339.1177.8-62.50000113.6W142 G145 P149 N150 C163W142-C147 HydrophobicContact CD2-CB 4.17Å; W142-C147 VanDerWaalsContact CE2-C 3.4Å; W142-C147 HydrophobicContact CE3-CB 4.3Å; W142-C147 HydrophobicContact CH2-CB 3.49Å; W142-C147 VanDerWaalsContact CH2-CB 3.49Å; W142-C147 WeakPolarHBondContact CH2-SG 3.41Å; W142-C147 HydrophobicContact CZ2-CB 3.34Å; W142-C147 HydrophobicContact CZ3-CB 3.99Å; W142-C147 WeakPolarHBondContact CZ3-SG 3.42Å; W142-C147 PolarHBondContact NE1-O 3.3Å; W142-C147 WeakPolarHBondContact O-CA 3.32Å; W142-C147 PolarHBondContact O-N 3.15Å; G145-C147 PolarHBondContact O-N 3.36Å; C147-P149 CarbonylContact O-C 3.57Å; C147-N150 WeakPolarHBondContact O-CB 3.38Å; C147-C163 HydrophobicContact CB-CB 3.89Å; C147-C163 WeakPolarHBondContact CB-SG 3.34Å; C147-C163 PolarHBondContact N-SG 3.42Å; C147-C163 WeakPolarHBondContact SG-CB 3.14Å; C147-C163 CovalentContact SG-SG 2.02Å; C147-C163 PolarHBondContact SG-SG 3.28Å
148Q89.8Confident91.8Very high63 Ų6365.1 Ų65.129%0.29434%0.34SS..  trans-111.5139.1177.3-58.5-50.8-50.500112.5W142 G145 N146 N150 P159W142-Q148 VanDerWaalsContact CD1-O 3.26Å; G145-Q148 PolarHBondContact O-N 2.99Å; N146-Q148 PolarHBondContact O-N 3.34Å; N146-Q148 PolarHBondContact O-NE2 2.92Å; N146-Q148 VanDerWaalsContact O-NE2 3.09Å; Q148-N150 PolarHBondContact NE2-ND2 2.66Å; Q148-N150 PolarHBondContact OE1-ND2 3.38Å; Q148-P159 PolarHBondContact NE2-O 2.74Å
149P89Confident91.6Very high48 Ų4863.9 Ų63.931%0.31233%0.333SS..SBendcis-72.7159-3.132.6-36.1000112.1W142 C147W142-P149 PolarHBondContact NE1-O 3.49Å; C147-P149 CarbonylContact O-C 3.57Å
150N87.3Confident91.3Very high13 Ų1365.4 Ų65.47%0.0735%0.348CS..  trans-134.9160.2172.875.891.8000112.1C147 Q148 R152 P159 R179C147-N150 WeakPolarHBondContact O-CB 3.38Å; Q148-N150 PolarHBondContact NE2-ND2 2.66Å; Q148-N150 PolarHBondContact OE1-ND2 3.38Å; N150-R152 PolarHBondContact OD1-N 3.43Å; N150-R152 VanDerWaalsContact OD1-N 3.09Å; N150-R152 PolarHBondContact OD1-O 3.16Å; N150-P159 PolarHBondContact ND2-O 2.68Å; N150-P159 VanDerWaalsContact OD1-CB 3.25Å; N150-P159 WeakPolarHBondContact OD1-CB 3.15Å; N150-R179 PolarHBondContact O-NH2 2.96Å
151Y90Very high91Very high50 Ų5067.1 Ų67.120%0.19636%0.357CS..  trans-102.5-3.3-175.4-55.2-79.7000114.5R179 L210 S211 H212Y151-R179 PolarHBondContact O-NH1 3.25Å; Y151-R179 PolarHBondContact O-NH2 3.19Å; Y151-L210 HydrophobicContact CD1-CD1 4.44Å; Y151-L210 HydrophobicContact CE1-CD1 3.84Å; Y151-S211 WeakPolarHBondContact CE2-O 3.42Å; Y151-S211 PolarHBondContact OH-O 3.09Å; Y151-H212 VanDerWaalsContact CD2-O 3.23Å; Y151-H212 WeakPolarHBondContact CD2-O 3.44Å; Y151-H212 HydrophobicContact CE2-CB 4.41Å; Y151-H212 WeakPolarHBondContact CE2-O 3.45Å
152R90.7Very high90.7Very high70 Ų7063.8 Ų63.826%0.26435%0.346SS..  trans-71.4148.9-178.3-58.6-68.2-164.7140.1-4111.2E65 N150 V155 P159 Y166 R179E65-R152 IonicContact OE1-CZ 3.35Å; E65-R152 IonicContact OE1-NE 2.8Å; E65-R152 PolarHBondContact OE1-NE 3.02Å; E65-R152 IonicContact OE1-NH2 3.79Å; E65-R152 PolarHBondContact OE1-NH2 3.32Å; E65-R152 IonicContact OE2-CZ 3.6Å; E65-R152 IonicContact OE2-NE 2.6Å; E65-R152 PolarHBondContact OE2-NE 2.77Å; E65-R152 VanDerWaalsContact OE2-NE 3.16Å; E65-R152 IonicContact OE2-NH2 2.69Å; N150-R152 PolarHBondContact OD1-N 3.43Å; N150-R152 VanDerWaalsContact OD1-N 3.09Å; N150-R152 PolarHBondContact OD1-O 3.16Å; R152-V155 HydrophobicContact CB-CG2 3.79Å; R152-P159 HydrophobicContact CB-CB 3.87Å; R152-Y166 HydrophobicContact CB-CD2 4.49Å; R152-Y166 HydrophobicContact CB-CE2 4.47Å; R152-Y166 HydrophobicContact CG-CD2 3.64Å; R152-Y166 HydrophobicContact CG-CE2 3.61Å; R152-Y166 HydrophobicContact CG-CG 4.21Å; R152-R179 PolarHBondContact O-NH2 3.19Å; R152-R179 VanDerWaalsContact O-NH2 3.15Å
153K90.6Very high90.5Very high161 Ų16165.2 Ų65.270%0.736%0.357SS*.  trans-144146.7177.366-178.8-179.8-176.60110.1V155K153-V155 VanDerWaalsContact C-N 3.29Å; K153-V155 PolarHBondContact O-N 3.35Å
154N89Confident90.1Very high107 Ų10763.2 Ų63.257%0.57236%0.355SS*.SBendtrans56.439.3177.4-55.3-29.7000114K169N154-K169 WeakPolarHBondContact O-CB 3.47Å; N154-K169 PolarHBondContact O-N 2.95Å
155V91.6Very high89.8Confident22 Ų2261.6 Ų61.613%0.13336%0.362CS..EExtended strand (participates in β ladder)trans-123.1166.6179-65.90000111.8R152 K153 P159 Y166 G167R152-V155 HydrophobicContact CB-CG2 3.79Å; K153-V155 VanDerWaalsContact C-N 3.29Å; K153-V155 PolarHBondContact O-N 3.35Å; V155-P159 HydrophobicContact CG2-CB 4.03Å; V155-P159 HydrophobicContact CG2-CG 3.88Å; V155-Y166 HydrophobicContact CB-CD1 4.37Å; V155-Y166 HydrophobicContact CB-CG 4.45Å; V155-Y166 HydrophobicContact CG2-CD1 3.58Å; V155-Y166 HydrophobicContact CG2-CE1 4.34Å; V155-Y166 HydrophobicContact CG2-CG 3.87Å; V155-G167 CarbonylContact C-O 3.55Å; V155-G167 VanDerWaalsContact CA-O 3.22Å; V155-G167 WeakPolarHBondContact CA-O 3.15Å; V155-G167 VanDerWaalsContact CB-O 3.3Å; V155-G167 WeakPolarHBondContact CB-O 3.26Å
156S89.4Confident89.7Confident71 Ų7161.7 Ų61.750%0.49735%0.352SS..EExtended strand (participates in β ladder)trans-124.3136.2172.6-177.40000109.4Y166 G167S156-Y166 CarbonylContact O-C 3.57Å; S156-Y166 WeakPolarHBondContact O-CA 3.34Å; S156-G167 PolarHBondContact N-O 2.94Å; S156-G167 PolarHBondContact O-N 2.83Å
157P90.7Very high89.5Confident47 Ų4758.3 Ų58.331%0.30534%0.341SS..SBendcis-64.6168.4-0.830.4-36.4000112.7P159 C163 P165 Y166P157-P159 WeakPolarHBondContact O-CD 3.37Å; P157-P159 VanDerWaalsContact O-N 3.09Å; P157-C163 VanDerWaalsContact CG-O 3.29Å; P157-C163 WeakPolarHBondContact CG-O 3.47Å; P157-P165 WeakPolarHBondContact CD-O 3.07Å; P157-Y166 HydrophobicContact CG-CD1 4.39Å; P157-Y166 HydrophobicContact CG-CE1 4.45Å
158D89Confident89.4Confident86 Ų8664.1 Ų64.146%0.4638%0.378SS..  trans-57.5115.8-177.1-173.3-27.2000109.8S160 T161 S162D158-S160 VanDerWaalsContact CG-OG 3.27Å; D158-S160 PolarHBondContact O-N 2.95Å; D158-S160 WeakPolarHBondContact OD1-CB 3.31Å; D158-S160 PolarHBondContact OD1-N 3.02Å; D158-S160 PolarHBondContact OD1-OG 2.87Å; D158-S160 PolarHBondContact OD2-OG 2.76Å; D158-T161 PolarHBondContact O-N 3.44Å; D158-S162 PolarHBondContact O-N 3.3Å; D158-S162 VanDerWaalsContact O-N 3.1Å
159P89Confident89.1Confident15 Ų1567.6 Ų67.610%0.09739%0.393CS..THydrogen-bonded Turntrans-63-26.7-175.324.8-33000112.1Q148 N150 R152 V155 P157 T161 Y166Q148-P159 PolarHBondContact NE2-O 2.74Å; N150-P159 PolarHBondContact ND2-O 2.68Å; N150-P159 VanDerWaalsContact OD1-CB 3.25Å; N150-P159 WeakPolarHBondContact OD1-CB 3.15Å; R152-P159 HydrophobicContact CB-CB 3.87Å; V155-P159 HydrophobicContact CG2-CB 4.03Å; V155-P159 HydrophobicContact CG2-CG 3.88Å; P157-P159 WeakPolarHBondContact O-CD 3.37Å; P157-P159 VanDerWaalsContact O-N 3.09Å; P159-T161 PolarHBondContact O-N 2.85Å; P159-Y166 HydrophobicContact CB-CE1 4.09Å
160S88.4Confident88.4Confident69 Ų6969.7 Ų69.748%0.48341%0.414SS..THydrogen-bonded Turntrans-70.1-15.2-178.665.80000114.4D158D158-S160 VanDerWaalsContact CG-OG 3.27Å; D158-S160 PolarHBondContact O-N 2.95Å; D158-S160 WeakPolarHBondContact OD1-CB 3.31Å; D158-S160 PolarHBondContact OD1-N 3.02Å; D158-S160 PolarHBondContact OD1-OG 2.87Å; D158-S160 PolarHBondContact OD2-OG 2.76Å
161T89.8Confident87.1Confident81 Ų8174.2 Ų74.250%0.49745%0.453SS..THydrogen-bonded Turntrans-132.4-8.1-173.257.60000114.6D158 P159D158-T161 PolarHBondContact O-N 3.44Å; P159-T161 PolarHBondContact O-N 2.85Å
162S88.9Confident85.3Confident43 Ų4379.9 Ų79.930%0.30148%0.481SS..  trans-147.2143.8-168.7-59.80000112.2D158 Y166D158-S162 PolarHBondContact O-N 3.3Å; D158-S162 VanDerWaalsContact O-N 3.1Å; S162-Y166 WeakPolarHBondContact O-CE1 3.47Å; S162-Y166 PolarHBondContact O-OH 2.93Å
163C89.6Confident83.2Confident44 Ų4483.1 Ų83.130%0.29751%0.509SS..  trans-67.4158.6168.4-60.40000111.7N146 C147 P157N146-C163 VanDerWaalsContact C-SG 3.55Å; C147-C163 HydrophobicContact CB-CB 3.89Å; C147-C163 WeakPolarHBondContact CB-SG 3.34Å; C147-C163 PolarHBondContact N-SG 3.42Å; C147-C163 WeakPolarHBondContact SG-CB 3.14Å; C147-C163 CovalentContact SG-SG 2.02Å; C147-C163 PolarHBondContact SG-SG 3.28Å; P157-C163 VanDerWaalsContact CG-O 3.29Å; P157-C163 WeakPolarHBondContact CG-O 3.47Å
164G86.4Confident81.2Confident35 Ų3584 Ų8436%0.36152%0.516SS..  trans-68-170.7171.100000113.6Y166G164-Y166 VanDerWaalsContact N-CZ 3.26Å
165P89.4Confident78.9Confident131 Ų13184.2 Ų84.285%0.85152%0.524SS*.  cis-68.4137.39.727.4-34.9000112.5P157P157-P165 WeakPolarHBondContact CD-O 3.07Å
166Y90.4Very high76.5Confident35 Ų3590.8 Ų90.814%0.13756%0.558CS.*  trans-96128.6-178-60.7-71.8000111R152 V155 S156 P157 P159 S162 G164R152-Y166 HydrophobicContact CB-CD2 4.49Å; R152-Y166 HydrophobicContact CB-CE2 4.47Å; R152-Y166 HydrophobicContact CG-CD2 3.64Å; R152-Y166 HydrophobicContact CG-CE2 3.61Å; R152-Y166 HydrophobicContact CG-CG 4.21Å; V155-Y166 HydrophobicContact CB-CD1 4.37Å; V155-Y166 HydrophobicContact CB-CG 4.45Å; V155-Y166 HydrophobicContact CG2-CD1 3.58Å; V155-Y166 HydrophobicContact CG2-CE1 4.34Å; V155-Y166 HydrophobicContact CG2-CG 3.87Å; S156-Y166 CarbonylContact O-C 3.57Å; S156-Y166 WeakPolarHBondContact O-CA 3.34Å; P157-Y166 HydrophobicContact CG-CD1 4.39Å; P157-Y166 HydrophobicContact CG-CE1 4.45Å; P159-Y166 HydrophobicContact CB-CE1 4.09Å; S162-Y166 WeakPolarHBondContact O-CE1 3.47Å; S162-Y166 PolarHBondContact O-OH 2.93Å; G164-Y166 VanDerWaalsContact N-CZ 3.26Å
167G89.6Confident74.2Confident29 Ų2990.6 Ų90.630%0.29957%0.568SS.*EExtended strand (participates in β ladder)trans-106.8157.416900000111.9V155 S156 K169V155-G167 CarbonylContact C-O 3.55Å; V155-G167 VanDerWaalsContact CA-O 3.22Å; V155-G167 WeakPolarHBondContact CA-O 3.15Å; V155-G167 VanDerWaalsContact CB-O 3.3Å; V155-G167 WeakPolarHBondContact CB-O 3.26Å; S156-G167 PolarHBondContact N-O 2.94Å; S156-G167 PolarHBondContact O-N 2.83Å; G167-K169 PolarHBondContact O-N 2.03Å
168P89.4Confident71.8Confident126 Ų12698 Ų9882%0.81860%0.598SS**EExtended strand (participates in β ladder)trans-61.3132.4175.825.9-33.1000110.5
169K83.8Confident70Confident137 Ų137100.4 Ų100.460%0.59660%0.601SS**PPolyproline II helixtrans-77.5131170.1-164.4173.1-178.5177.40108.2N154 G167 A171N154-K169 WeakPolarHBondContact O-CB 3.47Å; N154-K169 PolarHBondContact O-N 2.95Å; G167-K169 PolarHBondContact O-N 2.03Å; K169-A171 PolarHBondContact O-N 2.91Å
170A73.3Confident67.6Low91 Ų91109 Ų10975%0.75264%0.639SS**PPolyproline II helixtrans-55.1132.2173.500000109.3Q172A170-Q172 PolarHBondContact O-N 2.76Å
171A59.6Low65.3Low108 Ų108108.4 Ų108.489%0.89363%0.633SS**  trans-50.4112.9-166.900000112.7K169K169-A171 PolarHBondContact O-N 2.91Å
172Q53.4Low63Low170 Ų170108.8 Ų108.879%0.79463%0.632SS**  trans-131.6144.5158.7-83.3-171.9-12.800109.3A170A170-Q172 PolarHBondContact O-N 2.76Å
173T47Very low60.6Low138 Ų138110.8 Ų110.885%0.84764%0.639SS**  trans-36.5139.7-173.216.90000116.3
174Q47.1Very low58.4Low180 Ų180116.4 Ų116.484%0.84166%0.66SS**  trans-27.3128-177.7-76168.2-40.200116.8
175C40.7Very low56.5Low110 Ų110115.2 Ų115.274%0.74365%0.646SS**  trans-101.5111.3155.8-68.10000109.2G177C175-G177 PolarHBondContact O-N 3.14Å
176N41.3Very low54.7Low160 Ų160110 Ų11086%0.85661%0.61SS**  trans-79.1101163.7-81-9.9000107.9
177G42.4Very low52.9Low67 Ų67108.3 Ų108.369%0.69160%0.604SS**  trans-108.5114.7167.300000109.3C175C175-G177 PolarHBondContact O-N 3.14Å
178E38.3Very low51.2Low203 Ų203106.9 Ų106.995%0.94959%0.59SS**  trans-68.7128.4165.9-70.8178.7168.400108.6
179R51.6Low49.6Very low137 Ų137101.3 Ų101.352%0.51755%0.553SS.*  trans-96.5131.5-179.1-95.9-176.4171.8152.18.6110.4N150 Y151 R152N150-R179 PolarHBondContact O-NH2 2.96Å; Y151-R179 PolarHBondContact O-NH1 3.25Å; Y151-R179 PolarHBondContact O-NH2 3.19Å; R152-R179 PolarHBondContact O-NH2 3.19Å; R152-R179 VanDerWaalsContact O-NH2 3.15Å
180Q39Very low48.7Very low194 Ų19495 Ų9591%0.90753%0.526SS*.  trans-84.3108.1155.9-76.6-174.3-21.100108.2
181V40.5Very low49.3Very low58 Ų5890.6 Ų90.635%0.35249%0.49SS..  trans-71.8127.6166.3-179.70000107.2
182N41.2Very low51Low88 Ų8885.6 Ų85.647%0.47145%0.448SS..  trans-66.3139.3178.9-161.5-8.8000109.7H184 S185N182-H184 PolarHBondContact O-N 3.25Å; N182-H184 VanDerWaalsContact O-N 3.13Å; N182-S185 PolarHBondContact O-N 3.48Å
183I38.4Very low53.2Low86 Ų8677.5 Ų77.544%0.44141%0.41SS..THydrogen-bonded Turntrans-67.9-14.5-168.4-55.5-178.4000112.7H186 S305I183-H186 PolarHBondContact O-CD2 2.84Å; I183-H186 PolarHBondContact O-NE2 3.03Å; I183-S305 VanDerWaalsContact CG2-CB 3.47Å
184H43.3Very low55.6Low161 Ų16170.9 Ų70.975%0.74537%0.37SS*.THydrogen-bonded Turntrans-107.48.3175.2-61.8-65000112.8N182N182-H184 PolarHBondContact O-N 3.25Å; N182-H184 VanDerWaalsContact O-N 3.13Å
185S47.3Very low58.1Low11 Ų1162.3 Ų62.38%0.07733%0.33CS..  trans-118.157.5176.6-570000109N182 L210N182-S185 PolarHBondContact O-N 3.48Å; S185-L210 WeakPolarHBondContact O-CD2 3.39Å
186H51.7Low60.7Low20 Ų2058.4 Ų58.49%0.09330%0.301CS..  trans-90.6138.2172.7-66-44.7000109.5I183 F284I183-H186 PolarHBondContact O-CD2 2.84Å; I183-H186 PolarHBondContact O-NE2 3.03Å; H186-F284 HydrophobicContact CB-CD1 3.95Å; H186-F284 HydrophobicContact CB-CE1 3.46Å; H186-F284 VanDerWaalsContact CB-CE1 3.46Å; H186-F284 HydrophobicContact CB-CZ 3.85Å; H186-F284 AromaticContact CD2-CD2 3.9Å; H186-F284 AromaticContact CD2-CE1 3.69Å; H186-F284 AromaticContact CD2-CE2 3.32Å; H186-F284 WeakPolarHBondContact CD2-CE2 3.37Å; H186-F284 AromaticContact CD2-CZ 3.19Å; H186-F284 WeakPolarHBondContact CD2-CZ 3.05Å; H186-F284 AromaticContact CE1-CD1 3.75Å; H186-F284 AromaticContact CE1-CD2 3.21Å; H186-F284 WeakPolarHBondContact CE1-CD2 3.44Å; H186-F284 AromaticContact CE1-CE2 3.5Å; H186-F284 VanDerWaalsContact CE1-CE2 3.5Å; H186-F284 WeakPolarHBondContact CE1-CE2 3.11Å; H186-F284 AromaticContact CE1-CG 3.32Å; H186-F284 WeakPolarHBondContact CE1-CG 3.34Å; H186-F284 AromaticContact CE1-CZ 3.91Å; H186-F284 AromaticContact CG-CD1 3.51Å; H186-F284 AromaticContact CG-CE1 3.24Å; H186-F284 AromaticContact CG-CE2 3.72Å; H186-F284 AromaticContact CG-CG 3.91Å; H186-F284 AromaticContact CG-CZ 3.31Å; H186-F284 AromaticContact ND1-CD1 3.24Å; H186-F284 WeakPolarHBondContact ND1-CD1 3.25Å; H186-F284 AromaticContact ND1-CD2 3.63Å; H186-F284 AromaticContact ND1-CE1 3.53Å; H186-F284 AromaticContact ND1-CE2 3.82Å; H186-F284 AromaticContact ND1-CG 3.31Å; H186-F284 VanDerWaalsContact ND1-CG 3.31Å; H186-F284 WeakPolarHBondContact ND1-CG 3.22Å; H186-F284 AromaticContact ND1-CZ 3.76Å; H186-F284 AromaticContact NE2-CD2 3.37Å; H186-F284 WeakPolarHBondContact NE2-CD2 3.19Å; H186-F284 AromaticContact NE2-CE2 3.16Å; H186-F284 WeakPolarHBondContact NE2-CE2 3.23Å; H186-F284 AromaticContact NE2-CG 3.9Å; H186-F284 AromaticContact NE2-CZ 3.6Å
187D51.8Low63.2Low0 Ų058 Ų580%029%0.292CS..BIsolated β-bridgetrans-88.1132.6-175.2-157.835.1000109.4G209 L210 R217 G219 G241 G243D187-G209 WeakPolarHBondContact OD1-CA 3.24Å; D187-L210 HydrophobicContact CB-CD2 3.66Å; D187-L210 HydrophobicContact CB-CG 3.8Å; D187-L210 PolarHBondContact OD1-N 3.38Å; D187-R217 VanDerWaalsContact CG-NH2 3.26Å; D187-R217 IonicContact OD1-CZ 3.37Å; D187-R217 IonicContact OD1-NH1 2.86Å; D187-R217 PolarHBondContact OD1-NH1 2.61Å; D187-R217 IonicContact OD1-NH2 3.24Å; D187-R217 IonicContact OD2-CZ 3.62Å; D187-R217 IonicContact OD2-NH1 3.39Å; D187-R217 PolarHBondContact OD2-NH1 2.83Å; D187-R217 IonicContact OD2-NH2 3.49Å; D187-R217 PolarHBondContact OD2-NH2 3.18Å; D187-G219 WeakPolarHBondContact OD2-CA 2.97Å; D187-G241 CarbonylContact C-O 3.6Å; D187-G241 VanDerWaalsContact CA-O 3.26Å; D187-G241 WeakPolarHBondContact CA-O 3.26Å; D187-G241 WeakPolarHBondContact CB-O 3.36Å; D187-G241 PolarHBondContact N-O 2.63Å; D187-G241 CarbonylContact O-C 3.28Å; D187-G241 PolarHBondContact O-N 3.35Å; D187-G243 WeakPolarHBondContact OD2-CA 3.47Å; D187-G243 PolarHBondContact OD2-N 2.94Å
188T53.5Low65.6Low0 Ų059.7 Ų59.70%029%0.285CS..  trans71.8138.6-172.6-45.90000111.7T207 D220 S221T188-T207 VanDerWaalsContact CA-OG1 3.3Å; T188-T207 WeakPolarHBondContact CA-OG1 3.26Å; T188-T207 PolarHBondContact N-OG1 2.95Å; T188-D220 PolarHBondContact OG1-OD1 3.3Å; T188-S221 WeakPolarHBondContact CB-OG 3.44Å; T188-S221 WeakPolarHBondContact CG2-OG 3.38Å; T188-S221 PolarHBondContact OG1-OG 2.94Å
189I57.2Low68.3Low8 Ų850.4 Ų50.44%0.04124%0.244CC..  -170.7107.6124.3-74131.5000112.1T17 W18 F20 V57 S206 T240T17-I189 VanDerWaalsContact OG1-CG2 3.29Å; T17-I189 WeakPolarHBondContact OG1-CG2 3.16Å; W18-I189 HydrophobicContact CB-CG2 3.87Å; W18-I189 HydrophobicContact CD2-CD1 3.81Å; W18-I189 HydrophobicContact CD2-CG1 4.47Å; W18-I189 HydrophobicContact CG-CB 4.4Å; W18-I189 HydrophobicContact CG-CD1 3.81Å; W18-I189 HydrophobicContact CG-CG1 4.02Å; W18-I189 HydrophobicContact CG-CG2 3.67Å; W18-I189 HydrophobicContact CZ2-CD1 3.77Å; F20-I189 HydrophobicContact CD2-CG2 3.96Å; F20-I189 HydrophobicContact CE2-CB 4.06Å; F20-I189 HydrophobicContact CE2-CG2 3.24Å; F20-I189 WeakPolarHBondContact CE2-O 3.36Å; F20-I189 HydrophobicContact CZ-CG2 4Å; V57-I189 WeakPolarHBondContact CG2-O 3.3Å; I189-S206 CarbonylContact C-O 3.45Å; I189-T240 WeakPolarHBondContact CD1-OG1 3.26Å; I189-T240 VanDerWaalsContact CG1-CB 3.43Å; I189-T240 HydrophobicContact CG1-CG2 4.27Å; I189-T240 WeakPolarHBondContact CG1-OG1 3.14Å
190A63Low70.5Confident4 Ų447.4 Ų47.43%0.03324%0.236CC..  trans-151.262.4132.600000106.3C48 V57 M192 T205 S206C48-A190 HydrophobicContact CB-CB 4.15Å; V57-A190 HydrophobicContact CG1-CB 4.18Å; V57-A190 HydrophobicContact CG2-CB 4.25Å; A190-M192 PolarHBondContact O-N 3.33Å; A190-T205 VanDerWaalsContact O-CA 3.31Å; A190-T205 WeakPolarHBondContact O-CA 3.34Å; A190-S206 PolarHBondContact N-O 2.78Å
191G86.1Confident73.3Confident0 Ų038.2 Ų38.20%019%0.193CC..  trans-74.4119176.600000109.4N16 T17 G204N16-G191 CarbonylContact C-O 3.5Å; N16-G191 WeakPolarHBondContact CA-O 3.44Å; N16-G191 VanDerWaalsContact CB-O 3.29Å; N16-G191 WeakPolarHBondContact CB-O 3.36Å; T17-G191 PolarHBondContact N-O 3.4Å; T17-G191 PolarHBondContact OG1-N 3.28Å; T17-G191 VanDerWaalsContact OG1-N 3.08Å; T17-G191 PolarHBondContact OG1-O 2.96Å; G191-G204 CarbonylContact C-O 3.48Å; G191-G204 WeakPolarHBondContact CA-O 3.27Å
192M97.2Very high76.1Confident2 Ų235.4 Ų35.41%0.0118%0.176CC..EExtended strand (participates in β ladder)trans-131.4141.7-175.3-174.7170.1-71.800110.9V14 I15 N16 A23 A27 V41 A190 A203 G204V14-M192 HydrophobicContact CG1-CG 4.4Å; V14-M192 HydrophobicContact CG1-SD 4.36Å; I15-M192 WeakPolarHBondContact O-CA 3.35Å; N16-M192 HydrophobicContact CB-CB 4.2Å; N16-M192 HydrophobicContact CB-CE 3.86Å; N16-M192 HydrophobicContact CB-CG 4.28Å; A23-M192 HydrophobicContact CB-CE 3.91Å; A27-M192 HydrophobicContact CB-CE 4.05Å; A27-M192 HydrophobicContact CB-SD 3.47Å; A27-M192 WeakPolarHBondContact CB-SD 3.35Å; V41-M192 HydrophobicContact CG2-CG 4.43Å; A190-M192 PolarHBondContact O-N 3.33Å; M192-A203 CarbonylContact O-C 3.51Å; M192-A203 VanDerWaalsContact O-CA 3.23Å; M192-A203 WeakPolarHBondContact O-CA 3.35Å; M192-G204 PolarHBondContact N-O 3.16Å; M192-G204 PolarHBondContact O-N 2.56Å
193I98.4Very high78.8Confident0 Ų031.2 Ų31.20%015%0.154CC..EExtended strand (participates in β ladder)trans-126.5133.4172.3-57.1161.6000107.4V14 I15 V195 M201 A202 A203 A236 A238 I288 A290V14-I193 WeakPolarHBondContact CA-O 3.29Å; I15-I193 HydrophobicContact CG2-CB 3.69Å; I15-I193 HydrophobicContact CG2-CD1 3.99Å; I15-I193 HydrophobicContact CG2-CG1 4.31Å; I15-I193 HydrophobicContact CG2-CG2 4.36Å; I15-I193 PolarHBondContact N-O 2.6Å; I15-I193 PolarHBondContact O-N 3.49Å; I193-V195 HydrophobicContact CG2-CG2 4.25Å; I193-M201 HydrophobicContact CG2-CE 4.11Å; I193-A202 WeakPolarHBondContact CA-O 3.47Å; I193-A203 HydrophobicContact CG1-CB 4.24Å; I193-A236 HydrophobicContact CB-CB 4.5Å; I193-A236 HydrophobicContact CD1-CB 4.34Å; I193-A236 WeakPolarHBondContact CD1-O 3.38Å; I193-A236 HydrophobicContact CG1-CB 4.19Å; I193-A236 HydrophobicContact CG2-CB 3.56Å; I193-A238 HydrophobicContact CD1-CB 4.46Å; I193-A238 HydrophobicContact CG1-CB 4.2Å; I193-I288 HydrophobicContact CD1-CD1 4.1Å; I193-I288 HydrophobicContact CD1-CG1 4.02Å; I193-I288 HydrophobicContact CG1-CD1 4.41Å; I193-A290 HydrophobicContact CG2-CB 4.16Å
194A98.3Very high81.6Confident0 Ų027.1 Ų27.10%013%0.133CC..EExtended strand (participates in β ladder)trans-119.5139.817000000109.8L13 V14 L31 V37 A40 V41 M201 A202L13-A194 CarbonylContact O-C 3.55Å; L13-A194 WeakPolarHBondContact O-CA 3.26Å; V14-A194 HydrophobicContact CG2-CB 4.44Å; L31-A194 HydrophobicContact CD1-CB 4.44Å; V37-A194 HydrophobicContact CB-CB 4.2Å; V37-A194 HydrophobicContact CG1-CB 4.38Å; A40-A194 HydrophobicContact CB-CB 3.84Å; V41-A194 HydrophobicContact CG2-CB 3.82Å; A194-M201 VanDerWaalsContact O-CA 3.3Å; A194-M201 WeakPolarHBondContact O-CA 3.29Å; A194-A202 PolarHBondContact N-O 2.89Å; A194-A202 PolarHBondContact O-N 2.76Å
195V98Very high84.2Confident0 Ų019.5 Ų19.50%010%0.097CC..EExtended strand (participates in β ladder)trans-130.3124.3175-164.60000108.1L11 P12 L13 I193 H200 M201 A290L11-V195 HydrophobicContact CD2-CB 3.84Å; L11-V195 HydrophobicContact CD2-CG1 3.5Å; L11-V195 VanDerWaalsContact CD2-CG1 3.5Å; P12-V195 CarbonylContact C-O 3.55Å; P12-V195 VanDerWaalsContact CA-O 3.25Å; P12-V195 WeakPolarHBondContact CA-O 3.49Å; P12-V195 VanDerWaalsContact CB-O 3.25Å; P12-V195 WeakPolarHBondContact CB-O 3.38Å; L13-V195 HydrophobicContact CB-CB 4.19Å; L13-V195 HydrophobicContact CB-CG2 4.32Å; L13-V195 HydrophobicContact CD2-CG2 4.33Å; L13-V195 PolarHBondContact N-O 2.8Å; L13-V195 PolarHBondContact O-N 2.72Å; I193-V195 HydrophobicContact CG2-CG2 4.25Å; V195-H200 VanDerWaalsContact CA-O 3.27Å; V195-H200 WeakPolarHBondContact CA-O 3.47Å; V195-M201 HydrophobicContact CB-CG 4.47Å; V195-M201 HydrophobicContact CG1-CE 4.45Å; V195-M201 HydrophobicContact CG1-CG 3.97Å; V195-M201 HydrophobicContact CG2-CE 3.38Å; V195-M201 HydrophobicContact CG2-CG 4.15Å; V195-A290 HydrophobicContact CG2-CB 4.42Å
196D96.5Very high86.5Confident28 Ų2819 Ų1915%0.159%0.094CC..  trans-82.6178174.67412.3000112V37 D198 G199 H200V37-D196 HydrophobicContact CG1-CB 3.75Å; D196-D198 PolarHBondContact O-N 2.6Å; D196-D198 WeakPolarHBondContact OD1-CA 3.37Å; D196-D198 PolarHBondContact OD1-N 3.25Å; D196-G199 PolarHBondContact O-N 3.08Å; D196-G199 PolarHBondContact OD1-N 3.22Å; D196-H200 PolarHBondContact N-O 2.95Å; D196-H200 WeakPolarHBondContact OD1-CB 3.45Å; D196-H200 IonicContact OD1-CG 3.4Å; D196-H200 PolarHBondContact OD1-N 3Å; D196-H200 IonicContact OD1-ND1 3.33Å; D196-H200 VanDerWaalsContact OD2-CB 3.3Å; D196-H200 WeakPolarHBondContact OD2-CB 3.45Å; D196-H200 IonicContact OD2-CE1 3.67Å; D196-H200 IonicContact OD2-CG 3.5Å; D196-H200 IonicContact OD2-ND1 3.64Å; D196-H200 PolarHBondContact OD2-ND1 2.81Å
197K94.4Very high88.6Confident151 Ų15118 Ų1866%0.6579%0.089SC*.THydrogen-bonded Turntrans-61.8-20.8177.457.1163.1-172.5153.10114.4
198D92.9Very high90.5Very high102 Ų10218 Ų1855%0.5459%0.089SC..THydrogen-bonded Turntrans-97.8-0.1-176.8-59.8-43.9000110.9D196 H200D196-D198 PolarHBondContact O-N 2.6Å; D196-D198 WeakPolarHBondContact OD1-CA 3.37Å; D196-D198 PolarHBondContact OD1-N 3.25Å; D198-H200 VanDerWaalsContact C-N 3.34Å
199G94.3Very high92.3Very high9 Ų918 Ų189%0.0939%0.089CC..  trans8210.6179.700000113.6D196D196-G199 PolarHBondContact O-N 3.08Å; D196-G199 PolarHBondContact OD1-N 3.22Å
200H97.5Very high93.9Very high74 Ų7418 Ų1834%0.3439%0.089SC..  trans-67.2146.4169-56145.9000109.3V37 N79 V195 D196 D198V37-H200 WeakPolarHBondContact CG1-O 3.31Å; V37-H200 HydrophobicContact CG2-CB 4.43Å; N79-H200 PolarHBondContact ND2-CD2 2.92Å; N79-H200 WeakPolarHBondContact OD1-CA 3.36Å; N79-H200 WeakPolarHBondContact OD1-CB 3.18Å; V195-H200 VanDerWaalsContact CA-O 3.27Å; V195-H200 WeakPolarHBondContact CA-O 3.47Å; D196-H200 PolarHBondContact N-O 2.95Å; D196-H200 WeakPolarHBondContact OD1-CB 3.45Å; D196-H200 IonicContact OD1-CG 3.4Å; D196-H200 PolarHBondContact OD1-N 3Å; D196-H200 IonicContact OD1-ND1 3.33Å; D196-H200 VanDerWaalsContact OD2-CB 3.3Å; D196-H200 WeakPolarHBondContact OD2-CB 3.45Å; D196-H200 IonicContact OD2-CE1 3.67Å; D196-H200 IonicContact OD2-CG 3.5Å; D196-H200 IonicContact OD2-ND1 3.64Å; D196-H200 PolarHBondContact OD2-ND1 2.81Å; D198-H200 VanDerWaalsContact C-N 3.34Å
201M97.7Very high95.2Very high0 Ų018.4 Ų18.40%09%0.092CC..EExtended strand (participates in β ladder)trans-135.8143.3-170.9-59.6-17490.200111.2G78 N79 I193 A194 V195 A230 S232 G235 A236 A290 T292G78-M201 WeakPolarHBondContact CA-O 3.3Å; G78-M201 PolarHBondContact N-O 2.93Å; N79-M201 PolarHBondContact OD1-N 3.37Å; I193-M201 HydrophobicContact CG2-CE 4.11Å; A194-M201 VanDerWaalsContact O-CA 3.3Å; A194-M201 WeakPolarHBondContact O-CA 3.29Å; V195-M201 HydrophobicContact CB-CG 4.47Å; V195-M201 HydrophobicContact CG1-CE 4.45Å; V195-M201 HydrophobicContact CG1-CG 3.97Å; V195-M201 HydrophobicContact CG2-CE 3.38Å; V195-M201 HydrophobicContact CG2-CG 4.15Å; M201-A230 HydrophobicContact CB-CB 4.46Å; M201-S232 PolarHBondContact N-OG 3.06Å; M201-G235 VanDerWaalsContact SD-C 3.6Å; M201-G235 VanDerWaalsContact SD-CA 3.53Å; M201-A236 HydrophobicContact CE-CB 3.56Å; M201-A236 HydrophobicContact SD-CB 4.19Å; M201-A290 HydrophobicContact CE-CB 4.1Å; M201-A290 WeakPolarHBondContact CE-O 3.1Å; M201-T292 HydrophobicContact SD-CG2 3.8Å
202A98.6Very high95.5Very high0 Ų019 Ų190%010%0.095CC..EExtended strand (participates in β ladder)trans-132.6152.9163.700000109.4V37 L38 V41 M76 I193 A194V37-A202 HydrophobicContact CB-CB 3.84Å; V37-A202 HydrophobicContact CG2-CB 3.8Å; V37-A202 WeakPolarHBondContact O-CB 3.41Å; L38-A202 HydrophobicContact CD2-CB 4.05Å; L38-A202 HydrophobicContact CG-CB 4.44Å; V41-A202 HydrophobicContact CG2-CB 3.81Å; M76-A202 VanDerWaalsContact O-CA 3.26Å; M76-A202 WeakPolarHBondContact O-CA 3.04Å; M76-A202 WeakPolarHBondContact O-CB 3.2Å; I193-A202 WeakPolarHBondContact CA-O 3.47Å; A194-A202 PolarHBondContact N-O 2.89Å; A194-A202 PolarHBondContact O-N 2.76Å
203A98.5Very high95.3Very high0 Ų019 Ų190%010%0.095CC..EExtended strand (participates in β ladder)trans-137.1149.1171.300000110.4M76 M192 I193 A228 A230 A236M76-A203 PolarHBondContact N-O 3.4Å; M76-A203 PolarHBondContact O-N 2.99Å; M76-A203 VanDerWaalsContact O-N 3.13Å; M192-A203 CarbonylContact O-C 3.51Å; M192-A203 VanDerWaalsContact O-CA 3.23Å; M192-A203 WeakPolarHBondContact O-CA 3.35Å; I193-A203 HydrophobicContact CG1-CB 4.24Å; A203-A228 HydrophobicContact CB-CB 3.94Å; A203-A230 HydrophobicContact CB-CB 3.9Å; A203-A236 HydrophobicContact CB-CB 4.35Å
204G98Very high95.1Very high0 Ų021 Ų210%011%0.106CC..EExtended strand (participates in β ladder)trans-156164.8178.900000112.5M74 G191 M192M74-G204 CarbonylContact O-C 3.49Å; M74-G204 WeakPolarHBondContact O-CA 3.47Å; G191-G204 CarbonylContact C-O 3.48Å; G191-G204 WeakPolarHBondContact CA-O 3.27Å; M192-G204 PolarHBondContact N-O 3.16Å; M192-G204 PolarHBondContact O-N 2.56Å
205T97.3Very high94.9Very high0 Ų023.4 Ų23.40%012%0.122CC..EExtended strand (participates in β ladder)trans-142.8148.6176.855.80000109.9A73 M74 A190 S221 G227 A228A73-T205 CarbonylContact C-O 3.33Å; A73-T205 WeakPolarHBondContact CA-O 3.34Å; A73-T205 WeakPolarHBondContact CB-O 3.33Å; M74-T205 WeakPolarHBondContact CG-OG1 3.07Å; M74-T205 PolarHBondContact N-O 2.97Å; M74-T205 PolarHBondContact O-N 3.3Å; A190-T205 VanDerWaalsContact O-CA 3.31Å; A190-T205 WeakPolarHBondContact O-CA 3.34Å; T205-S221 VanDerWaalsContact OG1-C 3.25Å; T205-S221 PolarHBondContact OG1-O 2.94Å; T205-G227 WeakPolarHBondContact CG2-O 3.25Å; T205-A228 HydrophobicContact CG2-CB 3.85Å
206S96.3Very high94.7Very high0 Ų025.4 Ų25.40%014%0.143CC..EExtended strand (participates in β ladder)trans-140.1147.9165.4-177.60000111.1E49 D72 I189 A190E49-S206 WeakPolarHBondContact CG-OG 3.26Å; E49-S206 VanDerWaalsContact OE1-CB 3.25Å; E49-S206 WeakPolarHBondContact OE1-CB 3Å; E49-S206 PolarHBondContact OE1-OG 2.86Å; D72-S206 CarbonylContact O-C 3.6Å; D72-S206 WeakPolarHBondContact O-CA 3.36Å; I189-S206 CarbonylContact C-O 3.45Å; A190-S206 PolarHBondContact N-O 2.78Å
207T95.1Very high94.7Very high0 Ų025.6 Ų25.60%014%0.141CC..EExtended strand (participates in β ladder)trans-160.4164.2175.4-166.90000112.5T56 L71 D72 T188 G209 S221T56-T207 WeakPolarHBondContact O-CA 3.47Å; T56-T207 PolarHBondContact O-OG1 2.84Å; L71-T207 WeakPolarHBondContact CA-O 3.45Å; D72-T207 HydrophobicContact CB-CG2 3.86Å; D72-T207 PolarHBondContact N-O 3.21Å; D72-T207 PolarHBondContact O-N 3.4Å; T188-T207 VanDerWaalsContact CA-OG1 3.3Å; T188-T207 WeakPolarHBondContact CA-OG1 3.26Å; T188-T207 PolarHBondContact N-OG1 2.95Å; T207-G209 PolarHBondContact OG1-N 3.01Å; T207-S221 WeakPolarHBondContact CG2-OG 3Å
208N92.6Very high94.7Very high0 Ų020.3 Ų20.30%012%0.121CC..  trans-980.9160.659.624.2000113.6G55 T56 G58 G61 S62 T69 T70 L71 K213G55-N208 PolarHBondContact O-ND2 2.56Å; T56-N208 VanDerWaalsContact C-CG 3.47Å; T56-N208 VanDerWaalsContact CA-OD1 3.32Å; T56-N208 WeakPolarHBondContact CA-OD1 3.26Å; T56-N208 PolarHBondContact O-N 3.44Å; T56-N208 PolarHBondContact O-OD1 3.17Å; G58-N208 WeakPolarHBondContact O-CB 3.16Å; G58-N208 PolarHBondContact O-ND2 2.89Å; G61-N208 WeakPolarHBondContact CA-ND2 3.12Å; S62-N208 VanDerWaalsContact CB-OD1 3.28Å; S62-N208 WeakPolarHBondContact CB-OD1 3.23Å; S62-N208 PolarHBondContact N-ND2 3.21Å; S62-N208 PolarHBondContact OG-OD1 3Å; T69-N208 HydrophobicContact CG2-CB 3.96Å; T70-N208 WeakPolarHBondContact O-CA 3.13Å; L71-N208 HydrophobicContact CD2-CB 3.61Å; N208-K213 PolarHBondContact O-NZ 3.23Å
209G90.7Very high94.8Very high0 Ų015.4 Ų15.40%010%0.095CC..  trans73.1-167.6174.900000114.3S62 D187 T207 S211S62-G209 WeakPolarHBondContact CB-O 3.38Å; S62-G209 PolarHBondContact OG-O 3.35Å; S62-G209 VanDerWaalsContact OG-O 3.12Å; D187-G209 WeakPolarHBondContact OD1-CA 3.24Å; T207-G209 PolarHBondContact OG1-N 3.01Å; G209-S211 PolarHBondContact O-N 3.32Å
210L90.7Very high94.9Very high9 Ų915 Ų155%0.0479%0.091CC..SBendtrans-62.9132.2179.1-70.5-178.7000113.1Y151 S185 D187 H212 K213Y151-L210 HydrophobicContact CD1-CD1 4.44Å; Y151-L210 HydrophobicContact CE1-CD1 3.84Å; S185-L210 WeakPolarHBondContact O-CD2 3.39Å; D187-L210 HydrophobicContact CB-CD2 3.66Å; D187-L210 HydrophobicContact CB-CG 3.8Å; D187-L210 PolarHBondContact OD1-N 3.38Å; L210-H212 PolarHBondContact O-N 3.38Å; L210-K213 HydrophobicContact CB-CB 4.21Å; L210-K213 VanDerWaalsContact O-CB 3.25Å; L210-K213 WeakPolarHBondContact O-CB 2.89Å; L210-K213 WeakPolarHBondContact O-CD 3.35Å; L210-K213 VanDerWaalsContact O-CG 3.32Å; L210-K213 WeakPolarHBondContact O-CG 3.34Å; L210-K213 PolarHBondContact O-N 3Å
211S91.2Very high94.8Very high12 Ų1211.5 Ų11.58%0.0848%0.075CC..THydrogen-bonded Turntrans-62.6135.5170.1-33.40000110.5S62 Y151 G209 K213S62-S211 PolarHBondContact OG-OG 3.05Å; Y151-S211 WeakPolarHBondContact CE2-O 3.42Å; Y151-S211 PolarHBondContact OH-O 3.09Å; G209-S211 PolarHBondContact O-N 3.32Å; S211-K213 PolarHBondContact O-N 3.34Å
212H92.4Very high94.8Very high13 Ų1311.5 Ų11.56%0.068%0.075CC..THydrogen-bonded Turntrans61.924.8-176.1-45.6-53.7000114.4P63 W142 Y151 L210P63-H212 WeakPolarHBondContact O-CA 3.47Å; P63-H212 PolarHBondContact O-N 3.31Å; W142-H212 WeakPolarHBondContact CB-CE1 3.3Å; W142-H212 WeakPolarHBondContact CB-NE2 3.14Å; W142-H212 AromaticContact CD1-CD2 3.19Å; W142-H212 AromaticContact CD1-CE1 3.83Å; W142-H212 AromaticContact CD1-CG 3.44Å; W142-H212 VanDerWaalsContact CD1-CG 3.44Å; W142-H212 AromaticContact CD1-ND1 3.84Å; W142-H212 AromaticContact CD1-NE2 3.46Å; W142-H212 HydrophobicContact CD2-CB 4.3Å; W142-H212 AromaticContact CD2-CG 3.79Å; W142-H212 AromaticContact CD2-ND1 3.63Å; W142-H212 AromaticContact CE2-CG 3.68Å; W142-H212 AromaticContact CE2-ND1 3.99Å; W142-H212 AromaticContact CG-CD2 3.63Å; W142-H212 AromaticContact CG-CE1 3.44Å; W142-H212 VanDerWaalsContact CG-CE1 3.44Å; W142-H212 AromaticContact CG-CG 3.64Å; W142-H212 AromaticContact CG-ND1 3.54Å; W142-H212 AromaticContact CG-NE2 3.51Å; W142-H212 HydrophobicContact CZ2-CB 4.06Å; W142-H212 AromaticContact NE1-CD2 3.57Å; W142-H212 AromaticContact NE1-CG 3.44Å; Y151-H212 VanDerWaalsContact CD2-O 3.23Å; Y151-H212 WeakPolarHBondContact CD2-O 3.44Å; Y151-H212 HydrophobicContact CE2-CB 4.41Å; Y151-H212 WeakPolarHBondContact CE2-O 3.45Å; L210-H212 PolarHBondContact O-N 3.38Å
213K92.7Very high94.7Very high2 Ų214 Ų141%0.0099%0.088CC..PPolyproline II helixtrans-54.2153173.264-169.6-177.5-173.50111.1D64 E65 T70 N208 L210 S211 R217D64-K213 HydrophobicContact CB-CG 3.9Å; D64-K213 WeakPolarHBondContact CB-O 3.29Å; E65-K213 PolarHBondContact N-O 2.88Å; T70-K213 PolarHBondContact O-NZ 2.85Å; T70-K213 VanDerWaalsContact OG1-CE 3.3Å; T70-K213 WeakPolarHBondContact OG1-CE 3.13Å; T70-K213 PolarHBondContact OG1-NZ 2.89Å; N208-K213 PolarHBondContact O-NZ 3.23Å; L210-K213 HydrophobicContact CB-CB 4.21Å; L210-K213 VanDerWaalsContact O-CB 3.25Å; L210-K213 WeakPolarHBondContact O-CB 2.89Å; L210-K213 WeakPolarHBondContact O-CD 3.35Å; L210-K213 VanDerWaalsContact O-CG 3.32Å; L210-K213 WeakPolarHBondContact O-CG 3.34Å; L210-K213 PolarHBondContact O-N 3Å; S211-K213 PolarHBondContact O-N 3.34Å; K213-R217 HydrophobicContact CB-CB 4.18Å; K213-R217 HydrophobicContact CB-CG 4.43Å
214V94.1Very high94.7Very high40 Ų4016.3 Ų16.324%0.24210%0.1CC..PPolyproline II helixtrans-63.6132.8169.3-178.60000107.5G216 R217V214-G216 PolarHBondContact O-N 3.43Å; V214-R217 WeakPolarHBondContact O-CB 3.31Å; V214-R217 PolarHBondContact O-N 3.19Å
215P94.1Very high94.6Very high52 Ų5216.5 Ų16.534%0.33810%0.101SC..THydrogen-bonded Turntrans-53.2136.8179.4-2733.4000111.5D64 E65 T66 R217D64-P215 WeakPolarHBondContact OD2-CB 3.49Å; D64-P215 WeakPolarHBondContact OD2-CG 3.47Å; E65-P215 HydrophobicContact CG-CG 4.13Å; E65-P215 WeakPolarHBondContact OE1-CD 3.4Å; T66-P215 HydrophobicContact CG2-CG 3.59Å; P215-R217 VanDerWaalsContact C-N 3.27Å; P215-R217 PolarHBondContact O-N 3.1Å
216G93.6Very high94.6Very high42 Ų4216.5 Ų16.543%0.43310%0.101SC..THydrogen-bonded Turntrans77.64.2-173.600000115.1V214 V218V214-G216 PolarHBondContact O-N 3.43Å; G216-V218 PolarHBondContact O-N 2.89Å
217R95.4Very high94.6Very high32 Ų3216.5 Ų16.512%0.12110%0.101CC..  trans-71.9127.8172-179.5-83.2-169-178.1-1109.7D187 K213 V214 P215 D244D187-R217 VanDerWaalsContact CG-NH2 3.26Å; D187-R217 IonicContact OD1-CZ 3.37Å; D187-R217 IonicContact OD1-NH1 2.86Å; D187-R217 PolarHBondContact OD1-NH1 2.61Å; D187-R217 IonicContact OD1-NH2 3.24Å; D187-R217 IonicContact OD2-CZ 3.62Å; D187-R217 IonicContact OD2-NH1 3.39Å; D187-R217 PolarHBondContact OD2-NH1 2.83Å; D187-R217 IonicContact OD2-NH2 3.49Å; D187-R217 PolarHBondContact OD2-NH2 3.18Å; K213-R217 HydrophobicContact CB-CB 4.18Å; K213-R217 HydrophobicContact CB-CG 4.43Å; V214-R217 WeakPolarHBondContact O-CB 3.31Å; V214-R217 PolarHBondContact O-N 3.19Å; P215-R217 VanDerWaalsContact C-N 3.27Å; P215-R217 PolarHBondContact O-N 3.1Å; R217-D244 IonicContact CZ-OD2 3.7Å; R217-D244 IonicContact NE-OD2 3.16Å; R217-D244 PolarHBondContact NE-OD2 3.12Å; R217-D244 VanDerWaalsContact NE-OD2 3.14Å; R217-D244 IonicContact NH2-OD2 2.63Å; R217-D244 PolarHBondContact NH2-OD2 3.43Å
218V96Very high94.8Very high39 Ų3916.5 Ų16.524%0.23610%0.101CC..  trans-109.2137176.4179.40000109.7A87 G216 P222 I223 M247A87-V218 HydrophobicContact CB-CB 4.32Å; A87-V218 HydrophobicContact CB-CG1 3.66Å; A87-V218 HydrophobicContact CB-CG2 3.63Å; G216-V218 PolarHBondContact O-N 2.89Å; V218-P222 HydrophobicContact CG1-CG 3.33Å; V218-I223 HydrophobicContact CG1-CD1 4.4Å; V218-M247 WeakPolarHBondContact O-CE 3.32Å
219G94.1Very high95.1Very high0 Ų018.1 Ų18.10%011%0.107CC..  trans-86.5-165.6176.400000113.7D72 D187 I223 M247D72-G219 PolarHBondContact OD2-N 3.36Å; D187-G219 WeakPolarHBondContact OD2-CA 2.97Å; G219-I223 WeakPolarHBondContact O-CG1 3.27Å; G219-M247 WeakPolarHBondContact O-CE 3.31Å
220D95.8Very high95.4Very high0 Ų018.1 Ų18.10%011%0.107CC..SBendtrans-76.5-25.8175.264.9-48.5000113T188 I223 A226 G227 G243 M246 M247T188-D220 PolarHBondContact OG1-OD1 3.3Å; D220-I223 WeakPolarHBondContact O-CB 3.43Å; D220-I223 PolarHBondContact O-N 3.25Å; D220-A226 HydrophobicContact CB-CB 3.9Å; D220-G227 VanDerWaalsContact O-CA 3.27Å; D220-G227 WeakPolarHBondContact O-CA 3.4Å; D220-G227 PolarHBondContact O-N 3.11Å; D220-G243 WeakPolarHBondContact OD1-CA 3.3Å; D220-M246 HydrophobicContact CB-CB 3.86Å; D220-M247 HydrophobicContact CB-CB 4.11Å
221S95.7Very high95.8Very high0 Ų018.5 Ų18.50%011%0.11CC..THydrogen-bonded Turntrans-50.2-57.1-172.6-12.40000112.8M74 T188 T205 T207 I223M74-S221 WeakPolarHBondContact CG-O 3.42Å; T188-S221 WeakPolarHBondContact CB-OG 3.44Å; T188-S221 WeakPolarHBondContact CG2-OG 3.38Å; T188-S221 PolarHBondContact OG1-OG 2.94Å; T205-S221 VanDerWaalsContact OG1-C 3.25Å; T205-S221 PolarHBondContact OG1-O 2.94Å; T207-S221 WeakPolarHBondContact CG2-OG 3Å; S221-I223 PolarHBondContact O-N 2.81Å; S221-I223 VanDerWaalsContact O-N 3.14Å
222P97.3Very high96.1Very high0 Ų019.1 Ų19.10%011%0.114CC..THydrogen-bonded Turntrans-78.6-1.7-175.136.8-34.9000112.4D72 V86 A87 M110 V218D72-P222 HydrophobicContact CB-CB 4.16Å; D72-P222 HydrophobicContact CB-CG 3.72Å; V86-P222 VanDerWaalsContact O-CB 3.27Å; V86-P222 WeakPolarHBondContact O-CB 3.2Å; A87-P222 HydrophobicContact CB-CB 4.19Å; A87-P222 HydrophobicContact CB-CG 3.88Å; M110-P222 HydrophobicContact CE-CB 4.01Å; M110-P222 WeakPolarHBondContact CE-O 3.14Å; V218-P222 HydrophobicContact CG1-CG 3.33Å
223I97.8Very high96.3Very high53 Ų5322.7 Ų22.727%0.27214%0.141SC..SBendtrans-91.8111-176.3-53-64.2000109.4M110 V218 G219 D220 S221 G225 A226 G227M110-I223 HydrophobicContact CE-CD1 4.17Å; V218-I223 HydrophobicContact CG1-CD1 4.4Å; G219-I223 WeakPolarHBondContact O-CG1 3.27Å; D220-I223 WeakPolarHBondContact O-CB 3.43Å; D220-I223 PolarHBondContact O-N 3.25Å; S221-I223 PolarHBondContact O-N 2.81Å; S221-I223 VanDerWaalsContact O-N 3.14Å; I223-G225 PolarHBondContact O-N 3.12Å; I223-A226 HydrophobicContact CB-CB 3.96Å; I223-A226 HydrophobicContact CG2-CB 3.95Å; I223-A226 WeakPolarHBondContact O-CA 3.39Å; I223-A226 WeakPolarHBondContact O-CB 3.38Å; I223-A226 PolarHBondContact O-N 3.48Å; I223-G227 PolarHBondContact O-N 3.34Å
224I97.6Very high96.5Very high49 Ų4923 Ų2325%0.25114%0.144SC..BIsolated β-bridgetrans-56.5128.1178.3-55.179.8000109.7M74 M76 V83 A85 T109 A226 Y229M74-I224 HydrophobicContact SD-CG1 4.27Å; M76-I224 HydrophobicContact SD-CG2 4.17Å; V83-I224 HydrophobicContact CB-CG1 4.16Å; V83-I224 HydrophobicContact CG1-CD1 3.86Å; V83-I224 HydrophobicContact CG1-CG1 3.26Å; V83-I224 HydrophobicContact CG2-CG1 4.26Å; V83-I224 HydrophobicContact CG2-CG2 4.27Å; A85-I224 HydrophobicContact CB-CD1 4.28Å; T109-I224 HydrophobicContact CG2-CD1 3.88Å; T109-I224 HydrophobicContact CG2-CG1 4.47Å; I224-A226 PolarHBondContact O-N 2.9Å; I224-Y229 HydrophobicContact CG2-CD2 3.77Å; I224-Y229 HydrophobicContact CG2-CE2 3.93Å
225G97.3Very high96.7Very high3 Ų321.1 Ų21.13%0.03113%0.132CC..THydrogen-bonded Turntrans85.8-17.1-177.300000114.3I223 A228 L250 S252 Y253I223-G225 PolarHBondContact O-N 3.12Å; G225-A228 PolarHBondContact N-O 3.08Å; G225-L250 CarbonylContact O-C 3.48Å; G225-L250 VanDerWaalsContact O-CA 3.25Å; G225-L250 WeakPolarHBondContact O-CA 3.24Å; G225-S252 PolarHBondContact O-N 3.01Å; G225-S252 VanDerWaalsContact O-N 3.16Å; G225-Y253 PolarHBondContact O-N 2.99Å
226A97Very high97Very high0 Ų018.7 Ų18.70%012%0.116CC..THydrogen-bonded Turntrans-92.7-72.1167.300000110.6D220 I223 I224 A239 M247 L250 S252D220-A226 HydrophobicContact CB-CB 3.9Å; I223-A226 HydrophobicContact CB-CB 3.96Å; I223-A226 HydrophobicContact CG2-CB 3.95Å; I223-A226 WeakPolarHBondContact O-CA 3.39Å; I223-A226 WeakPolarHBondContact O-CB 3.38Å; I223-A226 PolarHBondContact O-N 3.48Å; I224-A226 PolarHBondContact O-N 2.9Å; A226-A239 WeakPolarHBondContact O-CB 3.35Å; A226-M247 HydrophobicContact CB-CB 4.12Å; A226-L250 HydrophobicContact CB-CD2 4.05Å; A226-S252 VanDerWaalsContact O-CB 3.31Å; A226-S252 WeakPolarHBondContact O-CB 3.32Å; A226-S252 PolarHBondContact O-OG 3.28Å
227G96.1Very high97.2Very high0 Ų016.7 Ų16.70%010%0.095CC..THydrogen-bonded Turntrans-67.7-48.5-17700000112.8T205 D220 I223 A238 A239 S252T205-G227 WeakPolarHBondContact CG2-O 3.25Å; D220-G227 VanDerWaalsContact O-CA 3.27Å; D220-G227 WeakPolarHBondContact O-CA 3.4Å; D220-G227 PolarHBondContact O-N 3.11Å; I223-G227 PolarHBondContact O-N 3.34Å; G227-A238 CarbonylContact O-C 3.56Å; G227-A238 WeakPolarHBondContact O-CA 3.21Å; G227-A239 PolarHBondContact O-N 3.37Å; G227-S252 PolarHBondContact O-OG 3.28Å
228A98.1Very high97.3Very high0 Ų015.1 Ų15.10%09%0.09CC..EExtended strand (participates in β ladder)trans-148.1158.5172.700000112.4M74 A203 T205 G225 A237 A238M74-A228 HydrophobicContact CE-CB 4.07Å; M74-A228 HydrophobicContact SD-CB 3.92Å; A203-A228 HydrophobicContact CB-CB 3.94Å; T205-A228 HydrophobicContact CG2-CB 3.85Å; G225-A228 PolarHBondContact N-O 3.08Å; A228-A237 CarbonylContact C-O 3.59Å; A228-A237 VanDerWaalsContact CA-O 3.28Å; A228-A237 WeakPolarHBondContact CA-O 3.49Å; A228-A238 HydrophobicContact CB-CB 4.28Å
229Y98.7Very high97.3Very high34 Ų3413.3 Ų13.313%0.1338%0.078CC..EExtended strand (participates in β ladder)trans-155.2139.9172.8-158.9-100.3000110.2M76 M81 I224 D231 A236 A237 Y253 V256M76-Y229 HydrophobicContact CE-CD2 4.23Å; M76-Y229 HydrophobicContact CE-CE1 4.47Å; M76-Y229 HydrophobicContact CE-CE2 3.82Å; M76-Y229 HydrophobicContact SD-CD2 3.79Å; M76-Y229 HydrophobicContact SD-CE2 3.99Å; M76-Y229 HydrophobicContact SD-CG 4.2Å; M81-Y229 HydrophobicContact CE-CE1 4.48Å; M81-Y229 WeakPolarHBondContact CE-OH 3.36Å; I224-Y229 HydrophobicContact CG2-CD2 3.77Å; I224-Y229 HydrophobicContact CG2-CE2 3.93Å; Y229-D231 HydrophobicContact CE1-CB 4.5Å; Y229-A236 CarbonylContact O-C 3.55Å; Y229-A236 WeakPolarHBondContact O-CA 3.47Å; Y229-A236 WeakPolarHBondContact O-CB 3.48Å; Y229-A237 PolarHBondContact N-O 3.2Å; Y229-A237 PolarHBondContact O-N 3.38Å; Y229-Y253 HydrophobicContact CD1-CD2 4.11Å; Y229-Y253 HydrophobicContact CD2-CD2 4.27Å; Y229-Y253 AromaticContact CE1-CD2 3.77Å; Y229-Y253 HydrophobicContact CE1-CD2 3.77Å; Y229-Y253 HydrophobicContact CE1-CE2 4.22Å; Y229-Y253 AromaticContact CE2-CD2 3.95Å; Y229-Y253 HydrophobicContact CE2-CD2 3.95Å; Y229-Y253 HydrophobicContact CG-CD2 4.34Å; Y229-Y253 AromaticContact CZ-CD2 3.69Å; Y229-V256 HydrophobicContact CD1-CB 3.88Å; Y229-V256 HydrophobicContact CD1-CG1 3.93Å; Y229-V256 HydrophobicContact CD1-CG2 3.97Å; Y229-V256 HydrophobicContact CE1-CG1 4.23Å
230A98.5Very high97.3Very high0 Ų013.3 Ų13.30%08%0.078CC..EExtended strand (participates in β ladder)trans-136.6139.4175.700000110.8M76 G78 M201 A203 A236M76-A230 WeakPolarHBondContact CE-O 3.48Å; M76-A230 HydrophobicContact CG-CB 4.34Å; M76-A230 PolarHBondContact SD-N 2.99Å; M76-A230 VanDerWaalsContact SD-N 3.41Å; G78-A230 WeakPolarHBondContact CA-O 3.3Å; M201-A230 HydrophobicContact CB-CB 4.46Å; A203-A230 HydrophobicContact CB-CB 3.9Å; A230-A236 HydrophobicContact CB-CB 3.77Å
231D98.5Very high97.1Very high18 Ų1813.3 Ų13.310%0.0968%0.078CC..EExtended strand (participates in β ladder)trans-145.7113.4170.4179.1-21.8000107.9M81 Y229 S233 A234 G235 V256 R260M81-D231 HydrophobicContact CE-CB 4.47Å; M81-D231 HydrophobicContact SD-CB 4.39Å; Y229-D231 HydrophobicContact CE1-CB 4.5Å; D231-S233 VanDerWaalsContact CG-OG 3.24Å; D231-S233 PolarHBondContact O-N 3Å; D231-S233 WeakPolarHBondContact OD1-CA 3.41Å; D231-S233 VanDerWaalsContact OD1-CB 3.25Å; D231-S233 WeakPolarHBondContact OD1-CB 3.37Å; D231-S233 PolarHBondContact OD1-N 3.01Å; D231-S233 PolarHBondContact OD1-OG 3.31Å; D231-S233 PolarHBondContact OD2-OG 3.04Å; D231-A234 HydrophobicContact CB-CB 4.41Å; D231-A234 CarbonylContact O-C 3.51Å; D231-A234 PolarHBondContact O-N 2.91Å; D231-G235 PolarHBondContact N-O 3.34Å; D231-G235 PolarHBondContact O-N 3.24Å; D231-G235 VanDerWaalsContact O-O 3.12Å; D231-V256 HydrophobicContact CB-CG1 4.04Å; D231-R260 IonicContact OD2-CZ 2.65Å; D231-R260 IonicContact OD2-NE 2.59Å; D231-R260 IonicContact OD2-NH2 3.7Å; D231-R260 PolarHBondContact OD2-NH2 3.01Å
232S97.8Very high97Very high24 Ų2414.7 Ų14.717%0.1689%0.086CC..THydrogen-bonded Turntrans-69.7-1-177.2-61.80000114.2G78 N79 M201 T292G78-S232 VanDerWaalsContact C-OG 3.31Å; G78-S232 PolarHBondContact O-N 3.2Å; G78-S232 PolarHBondContact O-OG 3.49Å; N79-S232 PolarHBondContact OD1-OG 3.37Å; M201-S232 PolarHBondContact N-OG 3.06Å; S232-T292 WeakPolarHBondContact O-CG2 3.43Å
233S97.1Very high96.7Very high89 Ų8914.7 Ų14.762%0.6229%0.086SC*.THydrogen-bonded Turntrans-91.3-12.516776.20000113.8D231D231-S233 VanDerWaalsContact CG-OG 3.24Å; D231-S233 PolarHBondContact O-N 3Å; D231-S233 WeakPolarHBondContact OD1-CA 3.41Å; D231-S233 VanDerWaalsContact OD1-CB 3.25Å; D231-S233 WeakPolarHBondContact OD1-CB 3.37Å; D231-S233 PolarHBondContact OD1-N 3.01Å; D231-S233 PolarHBondContact OD1-OG 3.31Å; D231-S233 PolarHBondContact OD2-OG 3.04Å
234A97.3Very high96.5Very high9 Ų914.8 Ų14.87%0.0749%0.087CC..THydrogen-bonded Turntrans-134.4-56.8-17200000113.7D231 V256 R260D231-A234 HydrophobicContact CB-CB 4.41Å; D231-A234 CarbonylContact O-C 3.51Å; D231-A234 PolarHBondContact O-N 2.91Å; A234-V256 HydrophobicContact CB-CG1 4.02Å; A234-R260 HydrophobicContact CB-CB 3.66Å; A234-R260 HydrophobicContact CB-CG 3.97Å
235G98Very high96.3Very high0 Ų013.2 Ų13.20%08%0.079CC..EExtended strand (participates in β ladder)trans159.8-176.6-172.800000112.2M201 D231 V256 A290M201-G235 VanDerWaalsContact SD-C 3.6Å; M201-G235 VanDerWaalsContact SD-CA 3.53Å; D231-G235 PolarHBondContact N-O 3.34Å; D231-G235 PolarHBondContact O-N 3.24Å; D231-G235 VanDerWaalsContact O-O 3.12Å; G235-V256 WeakPolarHBondContact O-CG1 3.16Å; G235-A290 CarbonylContact C-O 3.49Å; G235-A290 VanDerWaalsContact CA-O 3.25Å; G235-A290 WeakPolarHBondContact CA-O 3.37Å
236A98.6Very high96.2Very high0 Ų013.1 Ų13.10%08%0.078CC..EExtended strand (participates in β ladder)trans-138.6153.2177.400000110.9I193 M201 A203 Y229 A230 M259 C289 A290I193-A236 HydrophobicContact CB-CB 4.5Å; I193-A236 HydrophobicContact CD1-CB 4.34Å; I193-A236 WeakPolarHBondContact CD1-O 3.38Å; I193-A236 HydrophobicContact CG1-CB 4.19Å; I193-A236 HydrophobicContact CG2-CB 3.56Å; M201-A236 HydrophobicContact CE-CB 3.56Å; M201-A236 HydrophobicContact SD-CB 4.19Å; A203-A236 HydrophobicContact CB-CB 4.35Å; Y229-A236 CarbonylContact O-C 3.55Å; Y229-A236 WeakPolarHBondContact O-CA 3.47Å; Y229-A236 WeakPolarHBondContact O-CB 3.48Å; A230-A236 HydrophobicContact CB-CB 3.77Å; A236-M259 WeakPolarHBondContact O-CE 3.35Å; A236-C289 CarbonylContact O-C 3.59Å; A236-C289 WeakPolarHBondContact O-CA 3.4Å; A236-A290 PolarHBondContact N-O 3.09Å; A236-A290 PolarHBondContact O-N 3.22Å
237A98.6Very high96.1Very high0 Ų015.5 Ų15.50%09%0.09CC..EExtended strand (participates in β ladder)trans-142.8148.7178.300000110.6A228 Y229 A255 V256 I287 I288A228-A237 CarbonylContact C-O 3.59Å; A228-A237 VanDerWaalsContact CA-O 3.28Å; A228-A237 WeakPolarHBondContact CA-O 3.49Å; Y229-A237 PolarHBondContact N-O 3.2Å; Y229-A237 PolarHBondContact O-N 3.38Å; A237-A255 HydrophobicContact CB-CB 3.89Å; A237-V256 HydrophobicContact CB-CG2 4.07Å; A237-I287 HydrophobicContact CB-CD1 4.11Å; A237-I287 HydrophobicContact CB-CG1 4.37Å; A237-I288 VanDerWaalsContact CA-O 3.23Å; A237-I288 WeakPolarHBondContact CA-O 3.49Å
238A97.9Very high96.1Very high0 Ų022.4 Ų22.40%012%0.115CC..EExtended strand (participates in β ladder)trans-139.1138.3172.500000110.1I193 G227 A228 I287 I288I193-A238 HydrophobicContact CD1-CB 4.46Å; I193-A238 HydrophobicContact CG1-CB 4.2Å; G227-A238 CarbonylContact O-C 3.56Å; G227-A238 WeakPolarHBondContact O-CA 3.21Å; A228-A238 HydrophobicContact CB-CB 4.28Å; A238-I287 WeakPolarHBondContact O-CA 3.38Å; A238-I288 HydrophobicContact CB-CD1 4.16Å; A238-I288 HydrophobicContact CB-CG1 3.96Å; A238-I288 PolarHBondContact N-O 2.76Å; A238-I288 WeakPolarHBondContact O-CG1 3.24Å; A238-I288 PolarHBondContact O-N 2.64Å
239A95.9Very high96.1Very high0 Ų024 Ų240%012%0.123CC..EExtended strand (participates in β ladder)trans-116.5161.4-171.300000112.1A226 G227 M246 P251 A286A226-A239 WeakPolarHBondContact O-CB 3.35Å; G227-A239 PolarHBondContact O-N 3.37Å; A239-M246 HydrophobicContact CB-CE 3.7Å; A239-P251 HydrophobicContact CB-CG 4.21Å; A239-A286 WeakPolarHBondContact CA-O 3.37Å
240T94.3Very high96Very high0 Ų025.7 Ų25.70%013%0.134CC..EExtended strand (participates in β ladder)trans-152144178.1159.90000107.6T17 W18 I189 G285 A286 F309T17-T240 HydrophobicContact CG2-CG2 3.96Å; W18-T240 PolarHBondContact NE1-OG1 3.23Å; I189-T240 WeakPolarHBondContact CD1-OG1 3.26Å; I189-T240 VanDerWaalsContact CG1-CB 3.43Å; I189-T240 HydrophobicContact CG1-CG2 4.27Å; I189-T240 WeakPolarHBondContact CG1-OG1 3.14Å; T240-G285 CarbonylContact O-C 3.26Å; T240-G285 VanDerWaalsContact O-CA 3.27Å; T240-G285 WeakPolarHBondContact O-CA 3.42Å; T240-A286 HydrophobicContact CG2-CB 3.83Å; T240-A286 WeakPolarHBondContact CG2-O 3.48Å; T240-A286 PolarHBondContact N-O 3.1Å; T240-A286 PolarHBondContact O-N 3.35Å; T240-F309 HydrophobicContact CG2-CE2 4.16Å; T240-F309 HydrophobicContact CG2-CZ 4.22Å
241G92.2Very high96Very high0 Ų025.8 Ų25.80%013%0.134CC..EExtended strand (participates in β ladder)trans163.5-143.3177.500000117D187 G243 F284D187-G241 CarbonylContact C-O 3.6Å; D187-G241 VanDerWaalsContact CA-O 3.26Å; D187-G241 WeakPolarHBondContact CA-O 3.26Å; D187-G241 WeakPolarHBondContact CB-O 3.36Å; D187-G241 PolarHBondContact N-O 2.63Å; D187-G241 CarbonylContact O-C 3.28Å; D187-G241 PolarHBondContact O-N 3.35Å; G241-G243 PolarHBondContact O-N 3.42Å; G241-F284 CarbonylContact C-O 3.44Å; G241-F284 WeakPolarHBondContact CA-O 3.3Å
242D92.2Very high96Very high30 Ų3024.9 Ų24.916%0.1613%0.129CC..  trans-83.198.7160.4179-27.4000107.8D244 I245 M246 F284D242-D244 PolarHBondContact O-N 2.99Å; D242-D244 WeakPolarHBondContact OD1-CB 3.38Å; D242-D244 PolarHBondContact OD1-N 3.48Å; D242-I245 HydrophobicContact CB-CB 4.24Å; D242-I245 HydrophobicContact CB-CD1 4.29Å; D242-I245 HydrophobicContact CB-CG1 4.37Å; D242-I245 PolarHBondContact O-N 2.81Å; D242-I245 PolarHBondContact OD1-N 3.4Å; D242-I245 WeakPolarHBondContact OD2-CD1 3.43Å; D242-M246 VanDerWaalsContact O-CG 3.24Å; D242-M246 WeakPolarHBondContact O-CG 3.49Å; D242-M246 PolarHBondContact O-N 3.05Å; D242-F284 PolarHBondContact N-O 3.19Å
243G91.6Very high96Very high0 Ų028.1 Ų28.10%014%0.138CC..Hα-helixtrans-62.9-27.4-171.600000113.8D187 D220 G241 I245 M247D187-G243 WeakPolarHBondContact OD2-CA 3.47Å; D187-G243 PolarHBondContact OD2-N 2.94Å; D220-G243 WeakPolarHBondContact OD1-CA 3.3Å; G241-G243 PolarHBondContact O-N 3.42Å; G243-I245 VanDerWaalsContact C-N 3.32Å; G243-I245 PolarHBondContact O-N 2.69Å; G243-M247 WeakPolarHBondContact O-CB 3.37Å; G243-M247 VanDerWaalsContact O-CE 3.25Å; G243-M247 WeakPolarHBondContact O-CE 3.42Å; G243-M247 WeakPolarHBondContact O-CG 3.21Å; G243-M247 PolarHBondContact O-N 2.86Å
244D93.1Very high96.1Very high54 Ų5425.2 Ų25.229%0.28912%0.116SC..Hα-helixtrans-66.6-34173.6-80.9-84.1000112R217 D242 R248R217-D244 IonicContact CZ-OD2 3.7Å; R217-D244 IonicContact NE-OD2 3.16Å; R217-D244 PolarHBondContact NE-OD2 3.12Å; R217-D244 VanDerWaalsContact NE-OD2 3.14Å; R217-D244 IonicContact NH2-OD2 2.63Å; R217-D244 PolarHBondContact NH2-OD2 3.43Å; D242-D244 PolarHBondContact O-N 2.99Å; D242-D244 WeakPolarHBondContact OD1-CB 3.38Å; D242-D244 PolarHBondContact OD1-N 3.48Å; D244-R248 VanDerWaalsContact O-CD 3.29Å; D244-R248 WeakPolarHBondContact O-CD 3.17Å; D244-R248 VanDerWaalsContact O-CG 3.27Å; D244-R248 WeakPolarHBondContact O-CG 3.3Å; D244-R248 PolarHBondContact O-NE 2.96Å
245I94.6Very high96.2Very high17 Ų1724.8 Ų24.89%0.08711%0.112CC..Hα-helixtrans-80.7-49.2173.9-65.3177.7000110D242 G243 M247 R248 F249 I276 Y280 F283D242-I245 HydrophobicContact CB-CB 4.24Å; D242-I245 HydrophobicContact CB-CD1 4.29Å; D242-I245 HydrophobicContact CB-CG1 4.37Å; D242-I245 PolarHBondContact O-N 2.81Å; D242-I245 PolarHBondContact OD1-N 3.4Å; D242-I245 WeakPolarHBondContact OD2-CD1 3.43Å; G243-I245 VanDerWaalsContact C-N 3.32Å; G243-I245 PolarHBondContact O-N 2.69Å; I245-M247 VanDerWaalsContact C-N 3.33Å; I245-M247 PolarHBondContact O-N 3.48Å; I245-R248 WeakPolarHBondContact O-CB 3.43Å; I245-R248 PolarHBondContact O-N 2.99Å; I245-R248 VanDerWaalsContact O-N 3.1Å; I245-F249 HydrophobicContact CG2-CD2 4.4Å; I245-F249 HydrophobicContact CG2-CE2 4.27Å; I245-F249 WeakPolarHBondContact O-CD2 3.03Å; I245-I276 HydrophobicContact CG2-CG2 3.42Å; I245-I276 VanDerWaalsContact CG2-CG2 3.42Å; I245-Y280 HydrophobicContact CD1-CD1 4.04Å; I245-Y280 HydrophobicContact CD1-CG 4.1Å; I245-Y280 HydrophobicContact CG2-CD2 3.94Å; I245-Y280 HydrophobicContact CG2-CG 4.21Å; I245-F283 HydrophobicContact CD1-CB 3.68Å; I245-F283 HydrophobicContact CG2-CB 4.16Å; I245-F283 HydrophobicContact CG2-CD2 4.19Å; I245-F283 HydrophobicContact CG2-CG 4.3Å
246M94.5Very high96.2Very high0 Ų024.8 Ų24.80%011%0.112CC..Hα-helixtrans-56.2-46.4-176.4-63.6-63.2-84.200111.2D220 A239 D242 R248 F249 L250 P251 I273 I276 F283D220-M246 HydrophobicContact CB-CB 3.86Å; A239-M246 HydrophobicContact CB-CE 3.7Å; D242-M246 VanDerWaalsContact O-CG 3.24Å; D242-M246 WeakPolarHBondContact O-CG 3.49Å; D242-M246 PolarHBondContact O-N 3.05Å; M246-R248 PolarHBondContact O-N 2.83Å; M246-R248 VanDerWaalsContact O-N 3.15Å; M246-F249 PolarHBondContact O-N 3.04Å; M246-F249 VanDerWaalsContact O-N 3.1Å; M246-L250 PolarHBondContact O-N 2.87Å; M246-P251 HydrophobicContact CB-CG 4.36Å; M246-P251 HydrophobicContact CE-CB 4.37Å; M246-P251 HydrophobicContact CE-CG 3.73Å; M246-P251 WeakPolarHBondContact O-CD 3.16Å; M246-P251 HydrophobicContact SD-CG 4.39Å; M246-I273 HydrophobicContact CE-CD1 4.41Å; M246-I276 HydrophobicContact CE-CD1 4.41Å; M246-I276 HydrophobicContact SD-CD1 3.55Å; M246-I276 VanDerWaalsContact SD-CD1 3.55Å; M246-F283 HydrophobicContact SD-CD2 4.15Å; M246-F283 HydrophobicContact SD-CE2 3.7Å
247M94.4Very high96.2Very high51 Ų5126.5 Ų26.525%0.25112%0.12SC..THydrogen-bonded Turntrans-61.8-26.6-179.574.2173.967.900114.4V218 G219 D220 A226 G243 I245 F249 L250V218-M247 WeakPolarHBondContact O-CE 3.32Å; G219-M247 WeakPolarHBondContact O-CE 3.31Å; D220-M247 HydrophobicContact CB-CB 4.11Å; A226-M247 HydrophobicContact CB-CB 4.12Å; G243-M247 WeakPolarHBondContact O-CB 3.37Å; G243-M247 VanDerWaalsContact O-CE 3.25Å; G243-M247 WeakPolarHBondContact O-CE 3.42Å; G243-M247 WeakPolarHBondContact O-CG 3.21Å; G243-M247 PolarHBondContact O-N 2.86Å; I245-M247 VanDerWaalsContact C-N 3.33Å; I245-M247 PolarHBondContact O-N 3.48Å; M247-F249 PolarHBondContact O-N 2.9Å; M247-L250 WeakPolarHBondContact O-CD2 3.5Å
248R96Very high96.2Very high144 Ų14428.7 Ų28.754%0.54313%0.132SC..THydrogen-bonded Turntrans-71.3-18.9179.9-64.6172.1-163.5176.88.4112.9D244 I245 M246 Y280D244-R248 VanDerWaalsContact O-CD 3.29Å; D244-R248 WeakPolarHBondContact O-CD 3.17Å; D244-R248 VanDerWaalsContact O-CG 3.27Å; D244-R248 WeakPolarHBondContact O-CG 3.3Å; D244-R248 PolarHBondContact O-NE 2.96Å; I245-R248 WeakPolarHBondContact O-CB 3.43Å; I245-R248 PolarHBondContact O-N 2.99Å; I245-R248 VanDerWaalsContact O-N 3.1Å; M246-R248 PolarHBondContact O-N 2.83Å; M246-R248 VanDerWaalsContact O-N 3.15Å; R248-Y280 PolarHBondContact NH1-OH 3.21Å; R248-Y280 VanDerWaalsContact NH1-OH 3.16Å
249F97.5Very high96.2Very high35 Ų3529.2 Ų29.215%0.15413%0.134CC..THydrogen-bonded Turntrans-116.3-6-173.8-67.5-84.3000114.3I245 M246 M247 R275 I276 H279 Y280I245-F249 HydrophobicContact CG2-CD2 4.4Å; I245-F249 HydrophobicContact CG2-CE2 4.27Å; I245-F249 WeakPolarHBondContact O-CD2 3.03Å; M246-F249 PolarHBondContact O-N 3.04Å; M246-F249 VanDerWaalsContact O-N 3.1Å; M247-F249 PolarHBondContact O-N 2.9Å; F249-R275 HydrophobicContact CD1-CG 4.37Å; F249-I276 HydrophobicContact CB-CD1 4.1Å; F249-I276 HydrophobicContact CB-CG1 3.62Å; F249-I276 HydrophobicContact CD1-CG1 4.39Å; F249-I276 HydrophobicContact CD2-CB 4.28Å; F249-I276 HydrophobicContact CD2-CD1 4.48Å; F249-I276 HydrophobicContact CD2-CG1 3.79Å; F249-I276 HydrophobicContact CD2-CG2 3.99Å; F249-I276 HydrophobicContact CE2-CG2 4.1Å; F249-I276 HydrophobicContact CG-CB 4.46Å; F249-I276 HydrophobicContact CG-CG1 3.69Å; F249-H279 HydrophobicContact CE1-CB 4.34Å; F249-H279 AromaticContact CE1-CD2 3.45Å; F249-H279 VanDerWaalsContact CE1-CD2 3.45Å; F249-H279 WeakPolarHBondContact CE1-CD2 3.24Å; F249-H279 HydrophobicContact CZ-CB 3.74Å; F249-H279 AromaticContact CZ-CD2 3.77Å; F249-H279 AromaticContact CZ-CG 3.88Å; F249-Y280 AromaticContact CE2-CD2 3.73Å; F249-Y280 HydrophobicContact CE2-CD2 3.73Å; F249-Y280 AromaticContact CE2-CE2 3.62Å; F249-Y280 HydrophobicContact CE2-CE2 3.62Å; F249-Y280 AromaticContact CZ-CD2 3.99Å; F249-Y280 HydrophobicContact CZ-CD2 3.99Å; F249-Y280 AromaticContact CZ-CE2 3.8Å; F249-Y280 HydrophobicContact CZ-CE2 3.8Å
250L97.9Very high96.3Very high69 Ų6934 Ų3436%0.36115%0.152SC..  trans46.956.7-179.8-54.3178.1000112.5G225 A226 M246 M247 S252 Y253 L254G225-L250 CarbonylContact O-C 3.48Å; G225-L250 VanDerWaalsContact O-CA 3.25Å; G225-L250 WeakPolarHBondContact O-CA 3.24Å; A226-L250 HydrophobicContact CB-CD2 4.05Å; M246-L250 PolarHBondContact O-N 2.87Å; M247-L250 WeakPolarHBondContact O-CD2 3.5Å; L250-S252 VanDerWaalsContact C-N 3.34Å; L250-S252 PolarHBondContact O-N 3.2Å; L250-Y253 PolarHBondContact O-N 3.23Å; L250-L254 WeakPolarHBondContact O-CB 2.98Å; L250-L254 PolarHBondContact O-N 2.06Å
251P98Very high96.5Very high1 Ų140.3 Ų40.31%0.00619%0.186CC..Hα-helixtrans-63.7-36-169.724.2-34.9000113.3A239 M246 L254 A255 A272 I276 I287A239-P251 HydrophobicContact CB-CG 4.21Å; M246-P251 HydrophobicContact CB-CG 4.36Å; M246-P251 HydrophobicContact CE-CB 4.37Å; M246-P251 HydrophobicContact CE-CG 3.73Å; M246-P251 WeakPolarHBondContact O-CD 3.16Å; M246-P251 HydrophobicContact SD-CG 4.39Å; P251-L254 PolarHBondContact O-N 3.23Å; P251-A255 WeakPolarHBondContact O-CB 3.19Å; P251-A255 PolarHBondContact O-N 3Å; P251-A272 HydrophobicContact CB-CB 4.21Å; P251-I276 HydrophobicContact CB-CD1 4.13Å; P251-I276 HydrophobicContact CG-CD1 4.27Å; P251-I287 HydrophobicContact CB-CD1 4.2Å
252S98.4Very high96.7Very high0 Ų043.6 Ų43.60%022%0.22CC..Hα-helixtrans-67.3-45.5179.3-62.70000111.7G225 A226 G227 L250 L254 A255 V256G225-S252 PolarHBondContact O-N 3.01Å; G225-S252 VanDerWaalsContact O-N 3.16Å; A226-S252 VanDerWaalsContact O-CB 3.31Å; A226-S252 WeakPolarHBondContact O-CB 3.32Å; A226-S252 PolarHBondContact O-OG 3.28Å; G227-S252 PolarHBondContact O-OG 3.28Å; L250-S252 VanDerWaalsContact C-N 3.34Å; L250-S252 PolarHBondContact O-N 3.2Å; S252-L254 PolarHBondContact O-N 3.14Å; S252-A255 PolarHBondContact O-N 3.42Å; S252-V256 WeakPolarHBondContact O-CG2 3.15Å; S252-V256 PolarHBondContact O-N 2.63Å
253Y98.6Very high96.9Very high91 Ų9143.7 Ų43.736%0.35723%0.225SC..Hα-helixtrans-60-48.3173.9175.9-110.2000111.1G225 Y229 L250 A255 V256 E257G225-Y253 PolarHBondContact O-N 2.99Å; Y229-Y253 HydrophobicContact CD1-CD2 4.11Å; Y229-Y253 HydrophobicContact CD2-CD2 4.27Å; Y229-Y253 AromaticContact CE1-CD2 3.77Å; Y229-Y253 HydrophobicContact CE1-CD2 3.77Å; Y229-Y253 HydrophobicContact CE1-CE2 4.22Å; Y229-Y253 AromaticContact CE2-CD2 3.95Å; Y229-Y253 HydrophobicContact CE2-CD2 3.95Å; Y229-Y253 HydrophobicContact CG-CD2 4.34Å; Y229-Y253 AromaticContact CZ-CD2 3.69Å; L250-Y253 PolarHBondContact O-N 3.23Å; Y253-A255 VanDerWaalsContact C-N 3.32Å; Y253-A255 PolarHBondContact O-N 3.29Å; Y253-V256 PolarHBondContact O-N 2.73Å; Y253-E257 HydrophobicContact CD1-CG 4.22Å; Y253-E257 HydrophobicContact CD2-CG 4.31Å; Y253-E257 HydrophobicContact CE1-CG 3.75Å; Y253-E257 HydrophobicContact CE2-CG 3.82Å; Y253-E257 WeakPolarHBondContact CE2-OE1 3.48Å; Y253-E257 HydrophobicContact CG-CG 4.47Å; Y253-E257 WeakPolarHBondContact O-CG 3.38Å; Y253-E257 PolarHBondContact O-N 2.95Å; Y253-E257 VanDerWaalsContact OH-CD 3.3Å; Y253-E257 PolarHBondContact OH-OE1 2.91Å
254L98.6Very high97.2Very high28 Ų2847.5 Ų47.515%0.14725%0.245CC..Hα-helixtrans-59.3-41.8178.1176.560.3000112.4L250 P251 S252 E257 L258 A272 R275L250-L254 WeakPolarHBondContact O-CB 2.98Å; L250-L254 PolarHBondContact O-N 2.06Å; P251-L254 PolarHBondContact O-N 3.23Å; S252-L254 PolarHBondContact O-N 3.14Å; L254-E257 PolarHBondContact O-N 3.05Å; L254-L258 HydrophobicContact CD1-CD1 4.24Å; L254-L258 HydrophobicContact CD1-CG 4.21Å; L254-L258 HydrophobicContact CG-CD1 4.12Å; L254-L258 VanDerWaalsContact O-CG 3.23Å; L254-L258 WeakPolarHBondContact O-CG 3.3Å; L254-L258 PolarHBondContact O-N 2.88Å; L254-A272 HydrophobicContact CD2-CB 4.36Å; L254-R275 HydrophobicContact CD2-CB 4.23Å; L254-R275 VanDerWaalsContact CD2-CD 3.42Å; L254-R275 HydrophobicContact CD2-CG 4.47Å
255A98.6Very high97.4Very high0 Ų044.9 Ų44.90%023%0.231CC..Hα-helixtrans-62.3-43.5177.200000111.5A237 P251 S252 Y253 L258 M259 A268 A272 I287A237-A255 HydrophobicContact CB-CB 3.89Å; P251-A255 WeakPolarHBondContact O-CB 3.19Å; P251-A255 PolarHBondContact O-N 3Å; S252-A255 PolarHBondContact O-N 3.42Å; Y253-A255 VanDerWaalsContact C-N 3.32Å; Y253-A255 PolarHBondContact O-N 3.29Å; A255-L258 PolarHBondContact O-N 2.63Å; A255-M259 WeakPolarHBondContact O-CG 3.32Å; A255-M259 PolarHBondContact O-N 2.83Å; A255-A268 HydrophobicContact CB-CB 4.41Å; A255-A268 WeakPolarHBondContact O-CB 3.25Å; A255-A272 HydrophobicContact CB-CB 4.37Å; A255-I287 HydrophobicContact CB-CD1 3.74Å
256V98.7Very high97.6Very high0 Ų046.6 Ų46.60%025%0.245CC..Hα-helixtrans-65.1-41.1176.3175.20000111.8Y229 D231 A234 G235 A237 S252 Y253 L258 M259 R260Y229-V256 HydrophobicContact CD1-CB 3.88Å; Y229-V256 HydrophobicContact CD1-CG1 3.93Å; Y229-V256 HydrophobicContact CD1-CG2 3.97Å; Y229-V256 HydrophobicContact CE1-CG1 4.23Å; D231-V256 HydrophobicContact CB-CG1 4.04Å; A234-V256 HydrophobicContact CB-CG1 4.02Å; G235-V256 WeakPolarHBondContact O-CG1 3.16Å; A237-V256 HydrophobicContact CB-CG2 4.07Å; S252-V256 WeakPolarHBondContact O-CG2 3.15Å; S252-V256 PolarHBondContact O-N 2.63Å; Y253-V256 PolarHBondContact O-N 2.73Å; V256-L258 VanDerWaalsContact C-N 3.31Å; V256-L258 PolarHBondContact O-N 2.81Å; V256-M259 HydrophobicContact CB-CE 4.47Å; V256-M259 HydrophobicContact CG2-CE 3.96Å; V256-M259 PolarHBondContact O-N 2.9Å; V256-R260 PolarHBondContact O-N 2.82Å
257E98.6Very high97.7Very high36 Ų3648.8 Ų48.817%0.16826%0.263CS..Hα-helixtrans-61.7-37.9174-70.6-58.915100112.7Y253 L254 R260 N261Y253-E257 HydrophobicContact CD1-CG 4.22Å; Y253-E257 HydrophobicContact CD2-CG 4.31Å; Y253-E257 HydrophobicContact CE1-CG 3.75Å; Y253-E257 HydrophobicContact CE2-CG 3.82Å; Y253-E257 WeakPolarHBondContact CE2-OE1 3.48Å; Y253-E257 HydrophobicContact CG-CG 4.47Å; Y253-E257 WeakPolarHBondContact O-CG 3.38Å; Y253-E257 PolarHBondContact O-N 2.95Å; Y253-E257 VanDerWaalsContact OH-CD 3.3Å; Y253-E257 PolarHBondContact OH-OE1 2.91Å; L254-E257 PolarHBondContact O-N 3.05Å; E257-R260 WeakPolarHBondContact O-CB 3.49Å; E257-R260 PolarHBondContact O-N 3.34Å; E257-R260 IonicContact OE1-CZ 3.89Å; E257-R260 IonicContact OE1-NH1 3.52Å; E257-R260 PolarHBondContact OE1-NH1 2.96Å; E257-R260 IonicContact OE1-NH2 2.75Å; E257-R260 IonicContact OE2-CZ 2.73Å; E257-R260 IonicContact OE2-NH1 3.29Å; E257-R260 PolarHBondContact OE2-NH1 2.99Å; E257-N261 PolarHBondContact O-N 3.5Å; E257-N261 VanDerWaalsContact O-N 3.1Å; E257-N261 PolarHBondContact O-ND2 3.39Å
258L98.6Very high97.9Very high46 Ų4646.3 Ų46.324%0.24125%0.251CS..Hα-helixtrans-67-42.1175.7-71169.1000111.2L254 A255 V256 R260 N261 G262 A263 A268 S271L254-L258 HydrophobicContact CD1-CD1 4.24Å; L254-L258 HydrophobicContact CD1-CG 4.21Å; L254-L258 HydrophobicContact CG-CD1 4.12Å; L254-L258 VanDerWaalsContact O-CG 3.23Å; L254-L258 WeakPolarHBondContact O-CG 3.3Å; L254-L258 PolarHBondContact O-N 2.88Å; A255-L258 PolarHBondContact O-N 2.63Å; V256-L258 VanDerWaalsContact C-N 3.31Å; V256-L258 PolarHBondContact O-N 2.81Å; L258-R260 VanDerWaalsContact C-N 3.33Å; L258-N261 CarbonylContact O-C 3.51Å; L258-N261 WeakPolarHBondContact O-CA 3.35Å; L258-N261 PolarHBondContact O-N 2.82Å; L258-N261 VanDerWaalsContact O-N 3.13Å; L258-G262 PolarHBondContact O-N 3.09Å; L258-A263 HydrophobicContact CB-CB 4.09Å; L258-A263 WeakPolarHBondContact O-CB 2.72Å; L258-A263 PolarHBondContact O-N 2.99Å; L258-A268 HydrophobicContact CB-CB 3.92Å; L258-S271 VanDerWaalsContact CD1-CB 3.49Å
259M98.3Very high98Very high12 Ų1239.5 Ų39.56%0.05923%0.225CC..Hα-helixtrans-63.7-38.1173.8-69.4-172.5-67.100111.8A236 A255 V256 N261 G262 P265 A268 C289 A290 N291A236-M259 WeakPolarHBondContact O-CE 3.35Å; A255-M259 WeakPolarHBondContact O-CG 3.32Å; A255-M259 PolarHBondContact O-N 2.83Å; V256-M259 HydrophobicContact CB-CE 4.47Å; V256-M259 HydrophobicContact CG2-CE 3.96Å; V256-M259 PolarHBondContact O-N 2.9Å; M259-N261 PolarHBondContact O-N 3.16Å; M259-G262 WeakPolarHBondContact O-CA 3.42Å; M259-G262 PolarHBondContact O-N 2.98Å; M259-P265 HydrophobicContact SD-CB 3.97Å; M259-P265 HydrophobicContact SD-CG 3.91Å; M259-A268 HydrophobicContact CG-CB 3.64Å; M259-C289 HydrophobicContact CE-CB 4.18Å; M259-C289 HydrophobicContact SD-CB 4.08Å; M259-A290 WeakPolarHBondContact CE-O 3.32Å; M259-N291 HydrophobicContact SD-CB 4.34Å
260R97.9Very high98.1Very high99 Ų9943.1 Ų43.137%0.37424%0.241SC..Hα-helixtrans-58.5-34.5172.5-165.6179.5-65.2139.51.9112.1D231 A234 V256 E257 L258 G262D231-R260 IonicContact OD2-CZ 2.65Å; D231-R260 IonicContact OD2-NE 2.59Å; D231-R260 IonicContact OD2-NH2 3.7Å; D231-R260 PolarHBondContact OD2-NH2 3.01Å; A234-R260 HydrophobicContact CB-CB 3.66Å; A234-R260 HydrophobicContact CB-CG 3.97Å; V256-R260 PolarHBondContact O-N 2.82Å; E257-R260 WeakPolarHBondContact O-CB 3.49Å; E257-R260 PolarHBondContact O-N 3.34Å; E257-R260 IonicContact OE1-CZ 3.89Å; E257-R260 IonicContact OE1-NH1 3.52Å; E257-R260 PolarHBondContact OE1-NH1 2.96Å; E257-R260 IonicContact OE1-NH2 2.75Å; E257-R260 IonicContact OE2-CZ 2.73Å; E257-R260 IonicContact OE2-NH1 3.29Å; E257-R260 PolarHBondContact OE2-NH1 2.99Å; L258-R260 VanDerWaalsContact C-N 3.33Å; R260-G262 PolarHBondContact O-N 3.15Å
261N97.8Very high98.1Very high134 Ų13442.5 Ų42.572%0.71724%0.242SC*.THydrogen-bonded Turntrans-8310.3174.7-69.6-59000113.8E257 L258 M259E257-N261 PolarHBondContact O-N 3.5Å; E257-N261 VanDerWaalsContact O-N 3.1Å; E257-N261 PolarHBondContact O-ND2 3.39Å; L258-N261 CarbonylContact O-C 3.51Å; L258-N261 WeakPolarHBondContact O-CA 3.35Å; L258-N261 PolarHBondContact O-N 2.82Å; L258-N261 VanDerWaalsContact O-N 3.13Å; M259-N261 PolarHBondContact O-N 3.16Å
262G96.2Very high98.1Very high68 Ų6842.5 Ų42.570%0.70124%0.242SC*.THydrogen-bonded Turntrans88.812.4174.800000115.2L258 M259 R260L258-G262 PolarHBondContact O-N 3.09Å; M259-G262 WeakPolarHBondContact O-CA 3.42Å; M259-G262 PolarHBondContact O-N 2.98Å; R260-G262 PolarHBondContact O-N 3.15Å
263A97.4Very high98.1Very high33 Ų3342.5 Ų42.527%0.27324%0.242SC..  trans-70.2141.5172.400000111.3L258 A268L258-A263 HydrophobicContact CB-CB 4.09Å; L258-A263 WeakPolarHBondContact O-CB 2.72Å; L258-A263 PolarHBondContact O-N 2.99Å; A263-A268 HydrophobicContact CB-CB 4.33Å
264D96.9Very high98.1Very high79 Ų7940 Ų4042%0.42224%0.238SC..  trans-61.1144167.3175.3-91.2000110.8S266 A267 A268D264-S266 VanDerWaalsContact C-N 3.27Å; D264-S266 PolarHBondContact O-N 3.01Å; D264-S266 VanDerWaalsContact OD1-CB 3.25Å; D264-S266 WeakPolarHBondContact OD1-CB 3.45Å; D264-S266 PolarHBondContact OD1-N 3.13Å; D264-A267 HydrophobicContact CB-CB 4.24Å; D264-A267 CarbonylContact O-C 3.6Å; D264-A267 WeakPolarHBondContact O-CA 3.4Å; D264-A267 WeakPolarHBondContact O-CB 3.5Å; D264-A267 PolarHBondContact O-N 2.93Å; D264-A268 PolarHBondContact O-N 2.63Å
265P97.8Very high98Very high0 Ų044 Ų440%025%0.251CS..Hα-helixtrans-51.1-40.7179.9-30.236.3000114.6M259 A268 C269 C289 N291 H295M259-P265 HydrophobicContact SD-CB 3.97Å; M259-P265 HydrophobicContact SD-CG 3.91Å; P265-A268 PolarHBondContact O-N 2.95Å; P265-C269 VanDerWaalsContact O-CB 3.28Å; P265-C269 WeakPolarHBondContact O-CB 3.23Å; P265-C269 PolarHBondContact O-N 3.22Å; P265-C289 HydrophobicContact CB-CB 3.82Å; P265-C289 WeakPolarHBondContact O-CB 3.26Å; P265-N291 HydrophobicContact CG-CB 4.02Å; P265-H295 HydrophobicContact CG-CB 4.03Å; P265-H295 WeakPolarHBondContact CG-O 3.1Å
266S97.7Very high98Very high52 Ų5244 Ų4436%0.36425%0.252SS..Hα-helixtrans-67.7-39.2177.9-60.20000111.5D264 K270 G297D264-S266 VanDerWaalsContact C-N 3.27Å; D264-S266 PolarHBondContact O-N 3.01Å; D264-S266 VanDerWaalsContact OD1-CB 3.25Å; D264-S266 WeakPolarHBondContact OD1-CB 3.45Å; D264-S266 PolarHBondContact OD1-N 3.13Å; S266-K270 WeakPolarHBondContact O-CB 3.43Å; S266-K270 PolarHBondContact O-N 3.27Å; S266-G297 VanDerWaalsContact OG-CA 3.26Å; S266-G297 WeakPolarHBondContact OG-CA 3.28Å
267A98.3Very high97.8Very high46 Ų4646.9 Ų46.938%0.3826%0.264SS..Hα-helixtrans-68.8-38.6176.900000112.1D264 S271D264-A267 HydrophobicContact CB-CB 4.24Å; D264-A267 CarbonylContact O-C 3.6Å; D264-A267 WeakPolarHBondContact O-CA 3.4Å; D264-A267 WeakPolarHBondContact O-CB 3.5Å; D264-A267 PolarHBondContact O-N 2.93Å; A267-S271 WeakPolarHBondContact O-CB 3.21Å; A267-S271 PolarHBondContact O-N 2.65Å; A267-S271 PolarHBondContact O-OG 3.02Å
268A98.6Very high97.8Very high0 Ų054.1 Ų54.10%029%0.29CS..Hα-helixtrans-62.7-51.9175.200000111.2A255 L258 M259 A263 D264 P265 K270 S271 A272A255-A268 HydrophobicContact CB-CB 4.41Å; A255-A268 WeakPolarHBondContact O-CB 3.25Å; L258-A268 HydrophobicContact CB-CB 3.92Å; M259-A268 HydrophobicContact CG-CB 3.64Å; A263-A268 HydrophobicContact CB-CB 4.33Å; D264-A268 PolarHBondContact O-N 2.63Å; P265-A268 PolarHBondContact O-N 2.95Å; A268-K270 PolarHBondContact O-N 3.37Å; A268-S271 PolarHBondContact O-N 3.01Å; A268-A272 PolarHBondContact O-N 2.77Å
269C98.3Very high97.7Very high0 Ų058 Ų580%031%0.306CS..Hα-helixtrans-53.3-50174.3-91.90000111.7P265 S271 A272 I273 I287 C289 A299P265-C269 VanDerWaalsContact O-CB 3.28Å; P265-C269 WeakPolarHBondContact O-CB 3.23Å; P265-C269 PolarHBondContact O-N 3.22Å; C269-S271 VanDerWaalsContact C-N 3.33Å; C269-S271 PolarHBondContact O-N 2.79Å; C269-A272 PolarHBondContact O-N 3.24Å; C269-I273 PolarHBondContact O-N 3.33Å; C269-I273 VanDerWaalsContact O-N 3.13Å; C269-I287 HydrophobicContact CB-CG2 3.74Å; C269-I287 PolarHBondContact SG-O 2.76Å; C269-I287 VanDerWaalsContact SG-O 3.4Å; C269-C289 WeakPolarHBondContact CA-SG 3.28Å; C269-C289 HydrophobicContact CB-CB 4.33Å; C269-C289 WeakPolarHBondContact CB-SG 3.47Å; C269-C289 PolarHBondContact N-SG 3.47Å; C269-C289 WeakPolarHBondContact SG-CB 3.41Å; C269-C289 PolarHBondContact SG-N 2.93Å; C269-C289 CovalentContact SG-SG 2.05Å; C269-C289 PolarHBondContact SG-SG 2.81Å; C269-A299 VanDerWaalsContact C-CB 3.45Å; C269-A299 HydrophobicContact CB-CB 3.67Å
270K98.4Very high97.5Very high111 Ų11161.7 Ų61.748%0.48332%0.32SS..Hα-helixtrans-61.6-40.2178.9-174.1172.1-174.31730112.6S266 A268 S274 A299 F329S266-K270 WeakPolarHBondContact O-CB 3.43Å; S266-K270 PolarHBondContact O-N 3.27Å; A268-K270 PolarHBondContact O-N 3.37Å; K270-S274 VanDerWaalsContact O-CB 3.27Å; K270-S274 WeakPolarHBondContact O-CB 3.3Å; K270-S274 PolarHBondContact O-N 3.17Å; K270-S274 PolarHBondContact O-OG 2.99Å; K270-A299 HydrophobicContact CB-CB 4.27Å; K270-F329 HydrophobicContact CB-CE1 4.46Å; K270-F329 HydrophobicContact CB-CZ 4.43Å; K270-F329 HydrophobicContact CG-CD1 4.41Å; K270-F329 HydrophobicContact CG-CE1 3.79Å; K270-F329 HydrophobicContact CG-CE2 4.06Å; K270-F329 HydrophobicContact CG-CZ 3.58Å
271S98.5Very high97.2Very high57 Ų5760.1 Ų60.140%0.39932%0.324SS..Hα-helixtrans-68.5-38.5179.8-62.60000112L258 A267 A268 C269 S274 R275L258-S271 VanDerWaalsContact CD1-CB 3.49Å; A267-S271 WeakPolarHBondContact O-CB 3.21Å; A267-S271 PolarHBondContact O-N 2.65Å; A267-S271 PolarHBondContact O-OG 3.02Å; A268-S271 PolarHBondContact O-N 3.01Å; C269-S271 VanDerWaalsContact C-N 3.33Å; C269-S271 PolarHBondContact O-N 2.79Å; S271-S274 PolarHBondContact O-N 3.01Å; S271-R275 PolarHBondContact O-N 2.84Å
272A98.2Very high96.9Very high1 Ų159.7 Ų59.71%0.00832%0.322CS..Hα-helixtrans-61.3-51.4174.800000111.5P251 L254 A255 A268 C269 S274 R275 I276 I287P251-A272 HydrophobicContact CB-CB 4.21Å; L254-A272 HydrophobicContact CD2-CB 4.36Å; A255-A272 HydrophobicContact CB-CB 4.37Å; A268-A272 PolarHBondContact O-N 2.77Å; C269-A272 PolarHBondContact O-N 3.24Å; A272-S274 VanDerWaalsContact C-N 3.34Å; A272-S274 PolarHBondContact O-N 3.29Å; A272-R275 WeakPolarHBondContact O-CB 3.29Å; A272-R275 PolarHBondContact O-N 3.07Å; A272-I276 PolarHBondContact O-N 3.12Å; A272-I287 HydrophobicContact CB-CD1 4.27Å
273I98.1Very high96.7Very high0 Ų056.7 Ų56.70%029%0.29CS..Hα-helixtrans-61.1-42.1175.9-66.5-60.9000111.5M246 C269 R275 I276 K277 F283 I287 A299 N301 F329M246-I273 HydrophobicContact CE-CD1 4.41Å; C269-I273 PolarHBondContact O-N 3.33Å; C269-I273 VanDerWaalsContact O-N 3.13Å; I273-R275 PolarHBondContact O-N 2.61Å; I273-I276 PolarHBondContact O-N 2.74Å; I273-I276 VanDerWaalsContact O-N 3.15Å; I273-K277 WeakPolarHBondContact O-CB 3.21Å; I273-K277 PolarHBondContact O-N 2.76Å; I273-F283 HydrophobicContact CD1-CE2 4.34Å; I273-F283 HydrophobicContact CD1-CZ 4.18Å; I273-F283 HydrophobicContact CG2-CZ 3.99Å; I273-I287 HydrophobicContact CD1-CG2 3.95Å; I273-I287 HydrophobicContact CG1-CG2 3.62Å; I273-A299 HydrophobicContact CG1-CB 4.21Å; I273-N301 HydrophobicContact CG2-CB 3.93Å; I273-F329 HydrophobicContact CB-CE1 4.33Å; I273-F329 HydrophobicContact CB-CZ 3.89Å; I273-F329 HydrophobicContact CG2-CE1 3.92Å; I273-F329 HydrophobicContact CG2-CE2 4.37Å; I273-F329 HydrophobicContact CG2-CZ 3.51Å
274S98.1Very high96.4Very high39 Ų3955.6 Ų55.627%0.27328%0.279SS..Hα-helixtrans-61.4-32.2178.3-61.80000112.6K270 S271 A272 R278 F329K270-S274 VanDerWaalsContact O-CB 3.27Å; K270-S274 WeakPolarHBondContact O-CB 3.3Å; K270-S274 PolarHBondContact O-N 3.17Å; K270-S274 PolarHBondContact O-OG 2.99Å; S271-S274 PolarHBondContact O-N 3.01Å; A272-S274 VanDerWaalsContact C-N 3.34Å; A272-S274 PolarHBondContact O-N 3.29Å; S274-R278 WeakPolarHBondContact O-CG 3.38Å; S274-R278 PolarHBondContact O-N 2.98Å; S274-F329 WeakPolarHBondContact OG-CE2 3.07Å
275R97.6Very high96.3Very high111 Ų11151.9 Ų51.942%0.41926%0.259SS..Hα-helixtrans-65.5-42.9176.2-174.4174.2-176.1172.3-4.4111.5F249 L254 S271 A272 I273 H279F249-R275 HydrophobicContact CD1-CG 4.37Å; L254-R275 HydrophobicContact CD2-CB 4.23Å; L254-R275 VanDerWaalsContact CD2-CD 3.42Å; L254-R275 HydrophobicContact CD2-CG 4.47Å; S271-R275 PolarHBondContact O-N 2.84Å; A272-R275 WeakPolarHBondContact O-CB 3.29Å; A272-R275 PolarHBondContact O-N 3.07Å; I273-R275 PolarHBondContact O-N 2.61Å; R275-H279 PolarHBondContact O-CD2 2.68Å
276I97.5Very high96.2Very high1 Ų151.9 Ų51.91%0.00526%0.259CS..Hα-helixtrans-67.5-47176.3-55.5176.4000109.9I245 M246 F249 P251 A272 I273 R278 H279 Y280 F283I245-I276 HydrophobicContact CG2-CG2 3.42Å; I245-I276 VanDerWaalsContact CG2-CG2 3.42Å; M246-I276 HydrophobicContact CE-CD1 4.41Å; M246-I276 HydrophobicContact SD-CD1 3.55Å; M246-I276 VanDerWaalsContact SD-CD1 3.55Å; F249-I276 HydrophobicContact CB-CD1 4.1Å; F249-I276 HydrophobicContact CB-CG1 3.62Å; F249-I276 HydrophobicContact CD1-CG1 4.39Å; F249-I276 HydrophobicContact CD2-CB 4.28Å; F249-I276 HydrophobicContact CD2-CD1 4.48Å; F249-I276 HydrophobicContact CD2-CG1 3.79Å; F249-I276 HydrophobicContact CD2-CG2 3.99Å; F249-I276 HydrophobicContact CE2-CG2 4.1Å; F249-I276 HydrophobicContact CG-CB 4.46Å; F249-I276 HydrophobicContact CG-CG1 3.69Å; P251-I276 HydrophobicContact CB-CD1 4.13Å; P251-I276 HydrophobicContact CG-CD1 4.27Å; A272-I276 PolarHBondContact O-N 3.12Å; I273-I276 PolarHBondContact O-N 2.74Å; I273-I276 VanDerWaalsContact O-N 3.15Å; I276-R278 PolarHBondContact O-N 3.27Å; I276-R278 VanDerWaalsContact O-N 3.1Å; I276-H279 PolarHBondContact O-N 3.49Å; I276-Y280 PolarHBondContact O-N 2.87Å; I276-F283 HydrophobicContact CB-CD1 4.48Å; I276-F283 HydrophobicContact CB-CE1 3.8Å; I276-F283 HydrophobicContact CB-CE2 3.94Å; I276-F283 HydrophobicContact CB-CZ 3.48Å; I276-F283 VanDerWaalsContact CB-CZ 3.48Å; I276-F283 HydrophobicContact CD1-CE2 3.93Å; I276-F283 HydrophobicContact CD1-CZ 4.13Å; I276-F283 HydrophobicContact CG1-CZ 4.36Å; I276-F283 HydrophobicContact CG2-CD1 3.78Å; I276-F283 HydrophobicContact CG2-CD2 3.69Å; I276-F283 HydrophobicContact CG2-CE1 3.59Å; I276-F283 HydrophobicContact CG2-CE2 3.53Å; I276-F283 HydrophobicContact CG2-CG 3.79Å; I276-F283 HydrophobicContact CG2-CZ 3.45Å; I276-F283 VanDerWaalsContact CG2-CZ 3.45Å
277K95.9Very high96.2Very high59 Ų5949.4 Ų49.426%0.25724%0.242SC..Hα-helixtrans-53.6-33.6-179.5-168.4175.3-173.7138.90113.6I273 H279 Y280 S281 F283 N301 F329I273-K277 WeakPolarHBondContact O-CB 3.21Å; I273-K277 PolarHBondContact O-N 2.76Å; K277-H279 PolarHBondContact O-N 3.44Å; K277-Y280 WeakPolarHBondContact CA-O 3.41Å; K277-Y280 CarbonylContact O-C 3.03Å; K277-S281 WeakPolarHBondContact O-CA 3.42Å; K277-S281 PolarHBondContact O-N 3.3Å; K277-F283 HydrophobicContact CB-CE1 4.04Å; K277-N301 WeakPolarHBondContact CD-OD1 3.12Å; K277-N301 VanDerWaalsContact CE-OD1 3.29Å; K277-N301 WeakPolarHBondContact CE-OD1 3.49Å; K277-N301 PolarHBondContact NZ-OD1 3.38Å; K277-F329 PolarHBondContact NZ-O 2.67Å; K277-F329 PolarHBondContact NZ-OXT 3.09Å
278R96.8Very high96.2Very high188 Ų18847.2 Ų47.271%0.70922%0.223SC*.THydrogen-bonded Turntrans-63.2-24.8176.2-79-174.6-69168.3-4.3114S274 I276S274-R278 WeakPolarHBondContact O-CG 3.38Å; S274-R278 PolarHBondContact O-N 2.98Å; I276-R278 PolarHBondContact O-N 3.27Å; I276-R278 VanDerWaalsContact O-N 3.1Å
279H96.6Very high96.2Very high127 Ų12747.2 Ų47.259%0.58822%0.223SC*.THydrogen-bonded Turntrans-106.5-34-179.5-66.5-78000112.6F249 R275 I276 K277F249-H279 HydrophobicContact CE1-CB 4.34Å; F249-H279 AromaticContact CE1-CD2 3.45Å; F249-H279 VanDerWaalsContact CE1-CD2 3.45Å; F249-H279 WeakPolarHBondContact CE1-CD2 3.24Å; F249-H279 HydrophobicContact CZ-CB 3.74Å; F249-H279 AromaticContact CZ-CD2 3.77Å; F249-H279 AromaticContact CZ-CG 3.88Å; R275-H279 PolarHBondContact O-CD2 2.68Å; I276-H279 PolarHBondContact O-N 3.49Å; K277-H279 PolarHBondContact O-N 3.44Å
280Y94.8Very high96.2Very high90 Ų9047.2 Ų47.235%0.35322%0.223SC..  trans-131.497.3178.6-60.1-87.2000107.2I245 R248 F249 I276 K277 D282 F283I245-Y280 HydrophobicContact CD1-CD1 4.04Å; I245-Y280 HydrophobicContact CD1-CG 4.1Å; I245-Y280 HydrophobicContact CG2-CD2 3.94Å; I245-Y280 HydrophobicContact CG2-CG 4.21Å; R248-Y280 PolarHBondContact NH1-OH 3.21Å; R248-Y280 VanDerWaalsContact NH1-OH 3.16Å; F249-Y280 AromaticContact CE2-CD2 3.73Å; F249-Y280 HydrophobicContact CE2-CD2 3.73Å; F249-Y280 AromaticContact CE2-CE2 3.62Å; F249-Y280 HydrophobicContact CE2-CE2 3.62Å; F249-Y280 AromaticContact CZ-CD2 3.99Å; F249-Y280 HydrophobicContact CZ-CD2 3.99Å; F249-Y280 AromaticContact CZ-CE2 3.8Å; F249-Y280 HydrophobicContact CZ-CE2 3.8Å; I276-Y280 PolarHBondContact O-N 2.87Å; K277-Y280 WeakPolarHBondContact CA-O 3.41Å; K277-Y280 CarbonylContact O-C 3.03Å; Y280-D282 VanDerWaalsContact C-N 3.31Å; Y280-D282 PolarHBondContact O-N 3.24Å; Y280-F283 WeakPolarHBondContact O-CD1 3.45Å
281S92.6Very high96.1Very high66 Ų6643.1 Ų43.146%0.46221%0.207SC..THydrogen-bonded Turntrans-66.6-33.4-175.440.90000113.4K277 N301K277-S281 WeakPolarHBondContact O-CA 3.42Å; K277-S281 PolarHBondContact O-N 3.3Å; S281-N301 PolarHBondContact O-ND2 2.02Å
282D90.1Very high95.9Very high125 Ų12542.3 Ų42.367%0.66820%0.2SC*.THydrogen-bonded Turntrans-109.920.3-168.3-54.7-68.1000112.8Y280 V303Y280-D282 VanDerWaalsContact C-N 3.31Å; Y280-D282 PolarHBondContact O-N 3.24Å; D282-V303 WeakPolarHBondContact O-CG1 3.04Å
283F92.5Very high95.6Very high6 Ų645.2 Ų45.23%0.02622%0.218CC..  trans-70143.7175.782.6-69.3000111.2I245 M246 I273 I276 K277 Y280 N301 V303I245-F283 HydrophobicContact CD1-CB 3.68Å; I245-F283 HydrophobicContact CG2-CB 4.16Å; I245-F283 HydrophobicContact CG2-CD2 4.19Å; I245-F283 HydrophobicContact CG2-CG 4.3Å; M246-F283 HydrophobicContact SD-CD2 4.15Å; M246-F283 HydrophobicContact SD-CE2 3.7Å; I273-F283 HydrophobicContact CD1-CE2 4.34Å; I273-F283 HydrophobicContact CD1-CZ 4.18Å; I273-F283 HydrophobicContact CG2-CZ 3.99Å; I276-F283 HydrophobicContact CB-CD1 4.48Å; I276-F283 HydrophobicContact CB-CE1 3.8Å; I276-F283 HydrophobicContact CB-CE2 3.94Å; I276-F283 HydrophobicContact CB-CZ 3.48Å; I276-F283 VanDerWaalsContact CB-CZ 3.48Å; I276-F283 HydrophobicContact CD1-CE2 3.93Å; I276-F283 HydrophobicContact CD1-CZ 4.13Å; I276-F283 HydrophobicContact CG1-CZ 4.36Å; I276-F283 HydrophobicContact CG2-CD1 3.78Å; I276-F283 HydrophobicContact CG2-CD2 3.69Å; I276-F283 HydrophobicContact CG2-CE1 3.59Å; I276-F283 HydrophobicContact CG2-CE2 3.53Å; I276-F283 HydrophobicContact CG2-CG 3.79Å; I276-F283 HydrophobicContact CG2-CZ 3.45Å; I276-F283 VanDerWaalsContact CG2-CZ 3.45Å; K277-F283 HydrophobicContact CB-CE1 4.04Å; Y280-F283 WeakPolarHBondContact O-CD1 3.45Å; F283-N301 HydrophobicContact CD1-CB 4.02Å; F283-N301 VanDerWaalsContact CD1-ND2 3.3Å; F283-N301 WeakPolarHBondContact CD1-ND2 3.39Å; F283-N301 HydrophobicContact CE1-CB 3.52Å; F283-N301 HydrophobicContact CE2-CB 4.39Å; F283-N301 HydrophobicContact CZ-CB 3.74Å; F283-N301 PolarHBondContact O-ND2 3.47Å; F283-V303 WeakPolarHBondContact O-CG1 3.46Å
284F92.2Very high95.3Very high10 Ų1045.3 Ų45.34%0.04422%0.218CC..  trans-82.9129.6167.7177.4-87.6000109W18 H186 G241 D242 V303 L306W18-F284 HydrophobicContact CH2-CE2 4.18Å; W18-F284 AromaticContact CH2-CZ 3.56Å; W18-F284 HydrophobicContact CH2-CZ 3.56Å; W18-F284 HydrophobicContact CZ2-CE1 4.13Å; W18-F284 HydrophobicContact CZ2-CE2 4.48Å; W18-F284 AromaticContact CZ2-CZ 3.51Å; W18-F284 HydrophobicContact CZ2-CZ 3.51Å; H186-F284 HydrophobicContact CB-CD1 3.95Å; H186-F284 HydrophobicContact CB-CE1 3.46Å; H186-F284 VanDerWaalsContact CB-CE1 3.46Å; H186-F284 HydrophobicContact CB-CZ 3.85Å; H186-F284 AromaticContact CD2-CD2 3.9Å; H186-F284 AromaticContact CD2-CE1 3.69Å; H186-F284 AromaticContact CD2-CE2 3.32Å; H186-F284 WeakPolarHBondContact CD2-CE2 3.37Å; H186-F284 AromaticContact CD2-CZ 3.19Å; H186-F284 WeakPolarHBondContact CD2-CZ 3.05Å; H186-F284 AromaticContact CE1-CD1 3.75Å; H186-F284 AromaticContact CE1-CD2 3.21Å; H186-F284 WeakPolarHBondContact CE1-CD2 3.44Å; H186-F284 AromaticContact CE1-CE2 3.5Å; H186-F284 VanDerWaalsContact CE1-CE2 3.5Å; H186-F284 WeakPolarHBondContact CE1-CE2 3.11Å; H186-F284 AromaticContact CE1-CG 3.32Å; H186-F284 WeakPolarHBondContact CE1-CG 3.34Å; H186-F284 AromaticContact CE1-CZ 3.91Å; H186-F284 AromaticContact CG-CD1 3.51Å; H186-F284 AromaticContact CG-CE1 3.24Å; H186-F284 AromaticContact CG-CE2 3.72Å; H186-F284 AromaticContact CG-CG 3.91Å; H186-F284 AromaticContact CG-CZ 3.31Å; H186-F284 AromaticContact ND1-CD1 3.24Å; H186-F284 WeakPolarHBondContact ND1-CD1 3.25Å; H186-F284 AromaticContact ND1-CD2 3.63Å; H186-F284 AromaticContact ND1-CE1 3.53Å; H186-F284 AromaticContact ND1-CE2 3.82Å; H186-F284 AromaticContact ND1-CG 3.31Å; H186-F284 VanDerWaalsContact ND1-CG 3.31Å; H186-F284 WeakPolarHBondContact ND1-CG 3.22Å; H186-F284 AromaticContact ND1-CZ 3.76Å; H186-F284 AromaticContact NE2-CD2 3.37Å; H186-F284 WeakPolarHBondContact NE2-CD2 3.19Å; H186-F284 AromaticContact NE2-CE2 3.16Å; H186-F284 WeakPolarHBondContact NE2-CE2 3.23Å; H186-F284 AromaticContact NE2-CG 3.9Å; H186-F284 AromaticContact NE2-CZ 3.6Å; G241-F284 CarbonylContact C-O 3.44Å; G241-F284 WeakPolarHBondContact CA-O 3.3Å; D242-F284 PolarHBondContact N-O 3.19Å; F284-V303 HydrophobicContact CB-CG2 4.46Å; F284-V303 HydrophobicContact CD2-CG2 4.05Å; F284-L306 HydrophobicContact CD2-CB 3.88Å; F284-L306 HydrophobicContact CD2-CD2 3.98Å; F284-L306 HydrophobicContact CD2-CG 4.48Å; F284-L306 HydrophobicContact CE2-CB 3.74Å; F284-L306 HydrophobicContact CE2-CD1 4.2Å; F284-L306 HydrophobicContact CE2-CD2 3.7Å; F284-L306 HydrophobicContact CE2-CG 4.07Å; F284-L306 HydrophobicContact CZ-CD2 4.18Å
285G93.8Very high95.2Very high0 Ų045.6 Ų45.60%022%0.215CC..EExtended strand (participates in β ladder)trans178.5146.217600000114T240 C300 N301T240-G285 CarbonylContact O-C 3.26Å; T240-G285 VanDerWaalsContact O-CA 3.27Å; T240-G285 WeakPolarHBondContact O-CA 3.42Å; G285-C300 WeakPolarHBondContact O-CA 3.29Å; G285-N301 PolarHBondContact O-N 2.86Å
286A96.3Very high95.1Very high0 Ų043 Ų430%021%0.206CC..EExtended strand (participates in β ladder)trans-143162.5174.800000111.1A239 T240 A299 C300 F309A239-A286 WeakPolarHBondContact CA-O 3.37Å; T240-A286 HydrophobicContact CG2-CB 3.83Å; T240-A286 WeakPolarHBondContact CG2-O 3.48Å; T240-A286 PolarHBondContact N-O 3.1Å; T240-A286 PolarHBondContact O-N 3.35Å; A286-A299 CarbonylContact C-O 3.49Å; A286-A299 WeakPolarHBondContact CA-O 3.42Å; A286-A299 WeakPolarHBondContact CB-O 3.38Å; A286-C300 HydrophobicContact CB-CB 3.65Å; A286-F309 HydrophobicContact CB-CB 4.38Å; A286-F309 HydrophobicContact CB-CD1 3.73Å; A286-F309 HydrophobicContact CB-CD2 3.63Å; A286-F309 HydrophobicContact CB-CE1 3.79Å; A286-F309 HydrophobicContact CB-CE2 3.72Å; A286-F309 HydrophobicContact CB-CG 3.64Å; A286-F309 HydrophobicContact CB-CZ 3.79Å
287I97.4Very high95.1Very high0 Ų043 Ų430%021%0.206CC..EExtended strand (participates in β ladder)trans-145.8139.7-178.8-175.3168.7000108.9A237 A238 P251 A255 C269 A272 I273 A298 A299A237-I287 HydrophobicContact CB-CD1 4.11Å; A237-I287 HydrophobicContact CB-CG1 4.37Å; A238-I287 WeakPolarHBondContact O-CA 3.38Å; P251-I287 HydrophobicContact CB-CD1 4.2Å; A255-I287 HydrophobicContact CB-CD1 3.74Å; C269-I287 HydrophobicContact CB-CG2 3.74Å; C269-I287 PolarHBondContact SG-O 2.76Å; C269-I287 VanDerWaalsContact SG-O 3.4Å; A272-I287 HydrophobicContact CB-CD1 4.27Å; I273-I287 HydrophobicContact CD1-CG2 3.95Å; I273-I287 HydrophobicContact CG1-CG2 3.62Å; I287-A298 CarbonylContact O-C 3.36Å; I287-A298 VanDerWaalsContact O-CA 3.26Å; I287-A298 WeakPolarHBondContact O-CA 3.37Å; I287-A299 HydrophobicContact CG2-CB 4.24Å; I287-A299 PolarHBondContact N-O 2.71Å; I287-A299 PolarHBondContact O-N 3.39Å
288I98.4Very high95.2Very high0 Ų040.7 Ų40.70%020%0.198CC..EExtended strand (participates in β ladder)trans-107.4146166.155.5169.6000109.1I15 T17 I193 A237 A238 G297 A298 F309 Y311I15-I288 HydrophobicContact CB-CD1 4.45Å; I15-I288 HydrophobicContact CD1-CB 3.88Å; I15-I288 HydrophobicContact CD1-CD1 4.45Å; I15-I288 HydrophobicContact CD1-CG2 4.01Å; I15-I288 HydrophobicContact CG1-CB 4.21Å; I15-I288 HydrophobicContact CG1-CD1 3.86Å; I15-I288 HydrophobicContact CG1-CG2 4.26Å; I15-I288 HydrophobicContact CG2-CD1 4.19Å; T17-I288 HydrophobicContact CG2-CB 4.47Å; T17-I288 HydrophobicContact CG2-CD1 3.76Å; T17-I288 HydrophobicContact CG2-CG1 3.69Å; T17-I288 HydrophobicContact CG2-CG2 4.07Å; I193-I288 HydrophobicContact CD1-CD1 4.1Å; I193-I288 HydrophobicContact CD1-CG1 4.02Å; I193-I288 HydrophobicContact CG1-CD1 4.41Å; A237-I288 VanDerWaalsContact CA-O 3.23Å; A237-I288 WeakPolarHBondContact CA-O 3.49Å; A238-I288 HydrophobicContact CB-CD1 4.16Å; A238-I288 HydrophobicContact CB-CG1 3.96Å; A238-I288 PolarHBondContact N-O 2.76Å; A238-I288 WeakPolarHBondContact O-CG1 3.24Å; A238-I288 PolarHBondContact O-N 2.64Å; I288-G297 WeakPolarHBondContact CA-O 3.15Å; I288-A298 HydrophobicContact CG2-CB 4.1Å; I288-F309 HydrophobicContact CG2-CE1 3.77Å; I288-F309 HydrophobicContact CG2-CZ 4.12Å; I288-Y311 HydrophobicContact CG2-CD2 4.41Å; I288-Y311 HydrophobicContact CG2-CG 4.27Å
289C98.4Very high95.3Very high0 Ų032 Ų320%017%0.166CC..EExtended strand (participates in β ladder)trans-135.2143.2-179.5-54.80000108.7A236 M259 P265 C269 Y296 G297A236-C289 CarbonylContact O-C 3.59Å; A236-C289 WeakPolarHBondContact O-CA 3.4Å; M259-C289 HydrophobicContact CE-CB 4.18Å; M259-C289 HydrophobicContact SD-CB 4.08Å; P265-C289 HydrophobicContact CB-CB 3.82Å; P265-C289 WeakPolarHBondContact O-CB 3.26Å; C269-C289 WeakPolarHBondContact CA-SG 3.28Å; C269-C289 HydrophobicContact CB-CB 4.33Å; C269-C289 WeakPolarHBondContact CB-SG 3.47Å; C269-C289 PolarHBondContact N-SG 3.47Å; C269-C289 WeakPolarHBondContact SG-CB 3.41Å; C269-C289 PolarHBondContact SG-N 2.93Å; C269-C289 CovalentContact SG-SG 2.05Å; C269-C289 PolarHBondContact SG-SG 2.81Å; C289-Y296 CarbonylContact O-C 3.57Å; C289-Y296 WeakPolarHBondContact O-CA 3.28Å; C289-Y296 WeakPolarHBondContact O-CB 3.32Å; C289-G297 PolarHBondContact N-O 2.92Å; C289-G297 PolarHBondContact O-N 3.21Å
290A98.1Very high95.3Very high0 Ų025.9 Ų25.90%014%0.138CC..EExtended strand (participates in β ladder)trans-137.4147.4166.800000109.8L13 I15 I193 V195 M201 G235 A236 M259 H295L13-A290 HydrophobicContact CD2-CB 3.91Å; I15-A290 HydrophobicContact CG2-CB 4.32Å; I193-A290 HydrophobicContact CG2-CB 4.16Å; V195-A290 HydrophobicContact CG2-CB 4.42Å; M201-A290 HydrophobicContact CE-CB 4.1Å; M201-A290 WeakPolarHBondContact CE-O 3.1Å; G235-A290 CarbonylContact C-O 3.49Å; G235-A290 VanDerWaalsContact CA-O 3.25Å; G235-A290 WeakPolarHBondContact CA-O 3.37Å; A236-A290 PolarHBondContact N-O 3.09Å; A236-A290 PolarHBondContact O-N 3.22Å; M259-A290 WeakPolarHBondContact CE-O 3.32Å; A290-H295 CarbonylContact C-O 3.56Å; A290-H295 VanDerWaalsContact CA-O 3.28Å; A290-H295 WeakPolarHBondContact CA-O 3.34Å
291N95.8Very high95.4Very high25 Ų2521.6 Ų21.613%0.13412%0.121CC..EExtended strand (participates in β ladder)trans-102.7174.4170.771.98.7000111.1M259 P265 T293 G294 H295M259-N291 HydrophobicContact SD-CB 4.34Å; P265-N291 HydrophobicContact CG-CB 4.02Å; N291-T293 PolarHBondContact ND2-OG1 3.01Å; N291-T293 PolarHBondContact O-N 2.81Å; N291-T293 PolarHBondContact OD1-N 2.83Å; N291-T293 VanDerWaalsContact OD1-N 3.12Å; N291-T293 PolarHBondContact OD1-OG1 3.12Å; N291-G294 PolarHBondContact O-N 3.39Å; N291-G294 PolarHBondContact OD1-N 3.22Å; N291-H295 PolarHBondContact N-O 2.78Å; N291-H295 WeakPolarHBondContact OD1-CB 3.42Å; N291-H295 PolarHBondContact OD1-N 2.86Å; N291-H295 PolarHBondContact OD1-O 3.17Å
292T93.8Very high95.6Very high41 Ų4125.6 Ų25.625%0.25213%0.126SC..THydrogen-bonded Turntrans-68.8-11.1-177.956.80000113.9M201 S232M201-T292 HydrophobicContact SD-CG2 3.8Å; S232-T292 WeakPolarHBondContact O-CG2 3.43Å
293T91.9Very high95.6Very high62 Ų6220.1 Ų20.138%0.3810%0.097SC..THydrogen-bonded Turntrans-98.13.5179.465.40000113.2T9 N291T9-T293 VanDerWaalsContact CB-O 3.23Å; T9-T293 WeakPolarHBondContact CB-O 3.25Å; T9-T293 VanDerWaalsContact CG2-O 3.26Å; T9-T293 WeakPolarHBondContact CG2-O 3.42Å; N291-T293 PolarHBondContact ND2-OG1 3.01Å; N291-T293 PolarHBondContact O-N 2.81Å; N291-T293 PolarHBondContact OD1-N 2.83Å; N291-T293 VanDerWaalsContact OD1-N 3.12Å; N291-T293 PolarHBondContact OD1-OG1 3.12Å
294G92.4Very high95.5Very high1 Ų126 Ų261%0.0114%0.135CC..SBendtrans83.68.4-178.900000114.6N291N291-G294 PolarHBondContact O-N 3.39Å; N291-G294 PolarHBondContact OD1-N 3.22Å
295H95.5Very high95Very high46 Ų4627.5 Ų27.521%0.21315%0.147CC..  trans-75.9142165.5-61.7147000109.2G7 P265 A290 N291G7-H295 PolarHBondContact O-NE2 3.28Å; P265-H295 HydrophobicContact CG-CB 4.03Å; P265-H295 WeakPolarHBondContact CG-O 3.1Å; A290-H295 CarbonylContact C-O 3.56Å; A290-H295 VanDerWaalsContact CA-O 3.28Å; A290-H295 WeakPolarHBondContact CA-O 3.34Å; N291-H295 PolarHBondContact N-O 2.78Å; N291-H295 WeakPolarHBondContact OD1-CB 3.42Å; N291-H295 PolarHBondContact OD1-N 2.86Å; N291-H295 PolarHBondContact OD1-O 3.17Å
296Y97.3Very high94.8Very high57 Ų5727.8 Ų27.822%0.22415%0.149CC..EExtended strand (participates in β ladder)trans-138.8162178.960.5-94.4000111.3L13 I15 C289 Y311 V313L13-Y296 HydrophobicContact CD1-CD1 3.81Å; L13-Y296 HydrophobicContact CD1-CE1 4.11Å; L13-Y296 HydrophobicContact CD2-CD1 3.97Å; L13-Y296 HydrophobicContact CD2-CG 4.48Å; I15-Y296 HydrophobicContact CD1-CD2 4.08Å; I15-Y296 HydrophobicContact CD1-CG 4.3Å; C289-Y296 CarbonylContact O-C 3.57Å; C289-Y296 WeakPolarHBondContact O-CA 3.28Å; C289-Y296 WeakPolarHBondContact O-CB 3.32Å; Y296-Y311 HydrophobicContact CD2-CE2 4.1Å; Y296-Y311 HydrophobicContact CE2-CE2 4.12Å; Y296-V313 HydrophobicContact CD1-CG1 4.43Å; Y296-V313 HydrophobicContact CD2-CG2 4.12Å; Y296-V313 HydrophobicContact CE1-CG1 3.89Å; Y296-V313 HydrophobicContact CE2-CG1 4.39Å; Y296-V313 HydrophobicContact CE2-CG2 3.76Å
297G97.3Very high94.6Very high1 Ų131.7 Ų31.71%0.0117%0.173CC..EExtended strand (participates in β ladder)trans-158.5165.4-17900000111.4S266 I288 C289S266-G297 VanDerWaalsContact OG-CA 3.26Å; S266-G297 WeakPolarHBondContact OG-CA 3.28Å; I288-G297 WeakPolarHBondContact CA-O 3.15Å; C289-G297 PolarHBondContact N-O 2.92Å; C289-G297 PolarHBondContact O-N 3.21Å
298A98.1Very high94.6Very high9 Ų935.4 Ų35.47%0.07419%0.19CC..EExtended strand (participates in β ladder)trans-142.8154176.500000110I287 I288 F309 Y311 V326I287-A298 CarbonylContact O-C 3.36Å; I287-A298 VanDerWaalsContact O-CA 3.26Å; I287-A298 WeakPolarHBondContact O-CA 3.37Å; I288-A298 HydrophobicContact CG2-CB 4.1Å; A298-F309 HydrophobicContact CB-CD1 3.98Å; A298-F309 HydrophobicContact CB-CE1 3.97Å; A298-Y311 HydrophobicContact CB-CD1 3.79Å; A298-Y311 HydrophobicContact CB-CE1 3.59Å; A298-Y311 HydrophobicContact CB-CG 4.36Å; A298-V326 HydrophobicContact CB-CG1 4.29Å; A298-V326 HydrophobicContact CB-CG2 3.79Å
299A98.3Very high94.4Very high5 Ų535.4 Ų35.44%0.04119%0.19CC..EExtended strand (participates in β ladder)trans-150.5149.717400000110.8C269 K270 I273 A286 I287 F329C269-A299 VanDerWaalsContact C-CB 3.45Å; C269-A299 HydrophobicContact CB-CB 3.67Å; K270-A299 HydrophobicContact CB-CB 4.27Å; I273-A299 HydrophobicContact CG1-CB 4.21Å; A286-A299 CarbonylContact C-O 3.49Å; A286-A299 WeakPolarHBondContact CA-O 3.42Å; A286-A299 WeakPolarHBondContact CB-O 3.38Å; I287-A299 HydrophobicContact CG2-CB 4.24Å; I287-A299 PolarHBondContact N-O 2.71Å; I287-A299 PolarHBondContact O-N 3.39Å; A299-F329 HydrophobicContact CB-CE1 4.12Å
300C97.1Very high94.3Very high0 Ų038.3 Ų38.30%020%0.204CC..EExtended strand (participates in β ladder)trans-145.4150.5179.1500000111.4G285 A286 L306 F309 C328 F329G285-C300 WeakPolarHBondContact O-CA 3.29Å; A286-C300 HydrophobicContact CB-CB 3.65Å; C300-L306 HydrophobicContact CB-CD2 3.93Å; C300-F309 HydrophobicContact CB-CB 3.61Å; C300-F309 HydrophobicContact CB-CG 4.2Å; C300-F309 WeakPolarHBondContact SG-CB 3.39Å; C300-C328 HydrophobicContact CB-CB 3.99Å; C300-C328 WeakPolarHBondContact CB-SG 3.39Å; C300-C328 WeakPolarHBondContact SG-CA 3.41Å; C300-C328 WeakPolarHBondContact SG-CB 3.49Å; C300-C328 CovalentContact SG-SG 2.03Å; C300-C328 PolarHBondContact SG-SG 3.37Å; C300-F329 VanDerWaalsContact O-CD1 3.26Å; C300-F329 WeakPolarHBondContact O-CD1 3.31Å; C300-F329 WeakPolarHBondContact O-CE1 3.28Å; C300-F329 PolarHBondContact O-N 3.08Å
301N96.7Very high94.2Very high0 Ų039.1 Ų39.10%021%0.207CC..  trans-80.8131.4171.4-17344.7000110.3I273 K277 S281 F283 G285 V303 F329I273-N301 HydrophobicContact CG2-CB 3.93Å; K277-N301 WeakPolarHBondContact CD-OD1 3.12Å; K277-N301 VanDerWaalsContact CE-OD1 3.29Å; K277-N301 WeakPolarHBondContact CE-OD1 3.49Å; K277-N301 PolarHBondContact NZ-OD1 3.38Å; S281-N301 PolarHBondContact O-ND2 2.02Å; F283-N301 HydrophobicContact CD1-CB 4.02Å; F283-N301 VanDerWaalsContact CD1-ND2 3.3Å; F283-N301 WeakPolarHBondContact CD1-ND2 3.39Å; F283-N301 HydrophobicContact CE1-CB 3.52Å; F283-N301 HydrophobicContact CE2-CB 4.39Å; F283-N301 HydrophobicContact CZ-CB 3.74Å; F283-N301 PolarHBondContact O-ND2 3.47Å; G285-N301 PolarHBondContact O-N 2.86Å; N301-V303 PolarHBondContact O-N 3.44Å; N301-F329 PolarHBondContact OD1-O 3.06Å
302R95.5Very high94.2Very high149 Ų14938.1 Ų38.156%0.56220%0.202SC*.  trans-75.5117.2177.7-171.7173.2-179.1158.90.7111.1C328 F329R302-C328 HydrophobicContact CB-CB 3.81Å; R302-C328 HydrophobicContact CG-CB 4.37Å; R302-F329 WeakPolarHBondContact CB-O 3.42Å; R302-F329 PolarHBondContact N-O 3.18Å
303V91.6Very high94.4Very high10 Ų1036.3 Ų36.36%0.06119%0.19CC..BIsolated β-bridgetrans-130.7162.9169.4-69.30000109.1D282 F283 F284 N301 S305 L306D282-V303 WeakPolarHBondContact O-CG1 3.04Å; F283-V303 WeakPolarHBondContact O-CG1 3.46Å; F284-V303 HydrophobicContact CB-CG2 4.46Å; F284-V303 HydrophobicContact CD2-CG2 4.05Å; N301-V303 PolarHBondContact O-N 3.44Å; V303-S305 VanDerWaalsContact CG2-OG 3.3Å; V303-S305 WeakPolarHBondContact CG2-OG 3.46Å; V303-S305 PolarHBondContact O-N 3.31Å; V303-L306 HydrophobicContact CG2-CB 3.71Å; V303-L306 PolarHBondContact N-O 3.35Å; V303-L306 CarbonylContact O-C 3.57Å; V303-L306 VanDerWaalsContact O-C 3.26Å; V303-L306 PolarHBondContact O-N 2.9Å; V303-L306 VanDerWaalsContact O-O 3.1Å
304P89Confident94.7Very high129 Ų12933.3 Ų33.384%0.83817%0.172SC*.THydrogen-bonded Turntrans-53.7-29.6-179.1-29.136.6000114.2
305S82.7Confident94.8Very high42 Ų4233.9 Ų33.929%0.29418%0.175SC..THydrogen-bonded Turntrans-83.8-15.5177.152.40000115.3I183 V303I183-S305 VanDerWaalsContact CG2-CB 3.47Å; V303-S305 VanDerWaalsContact CG2-OG 3.3Å; V303-S305 WeakPolarHBondContact CG2-OG 3.46Å; V303-S305 PolarHBondContact O-N 3.31Å
306L89Confident94.6Very high6 Ų634.5 Ų34.53%0.03118%0.184CC..BIsolated β-bridgetrans-140.689.7-174.8-171.365.1000109.9W18 F284 C300 V303 E308W18-L306 HydrophobicContact CH2-CD1 3.8Å; W18-L306 HydrophobicContact CZ3-CD1 4.38Å; F284-L306 HydrophobicContact CD2-CB 3.88Å; F284-L306 HydrophobicContact CD2-CD2 3.98Å; F284-L306 HydrophobicContact CD2-CG 4.48Å; F284-L306 HydrophobicContact CE2-CB 3.74Å; F284-L306 HydrophobicContact CE2-CD1 4.2Å; F284-L306 HydrophobicContact CE2-CD2 3.7Å; F284-L306 HydrophobicContact CE2-CG 4.07Å; F284-L306 HydrophobicContact CZ-CD2 4.18Å; C300-L306 HydrophobicContact CB-CD2 3.93Å; V303-L306 HydrophobicContact CG2-CB 3.71Å; V303-L306 PolarHBondContact N-O 3.35Å; V303-L306 CarbonylContact O-C 3.57Å; V303-L306 VanDerWaalsContact O-C 3.26Å; V303-L306 PolarHBondContact O-N 2.9Å; V303-L306 VanDerWaalsContact O-O 3.1Å; L306-E308 WeakPolarHBondContact CD1-O 3.47Å
307T93.4Very high94.2Very high82 Ų8237.9 Ų37.950%0.50320%0.202SC..SBendtrans-93.6-26.6175.354.50000112.8C328T307-C328 PolarHBondContact O-N 2.9Å
308E95.4Very high93.8Very high78 Ų7839.5 Ų39.536%0.36421%0.213SC..EExtended strand (participates in β ladder)trans-142.2131.6-180-177.8172.6-142.800108.7L306 H310 S325 V326L306-E308 WeakPolarHBondContact CD1-O 3.47Å; E308-H310 IonicContact OE2-CE1 3.4Å; E308-H310 PolarHBondContact OE2-CE1 3.27Å; E308-H310 IonicContact OE2-NE2 3.91Å; E308-S325 WeakPolarHBondContact OE1-CB 3.34Å; E308-S325 PolarHBondContact OE1-OG 3.36Å; E308-V326 WeakPolarHBondContact CA-O 3.27Å
309F95.6Very high93.5Very high0 Ų043.5 Ų43.50%023%0.233CC..EExtended strand (participates in β ladder)trans-100.7122.9177.5173.1-123.7000110T17 W18 T240 A286 I288 A298 C300 Y311 S325 V326T17-F309 HydrophobicContact CG2-CZ 4.03Å; W18-F309 AromaticContact CD1-CE2 3.91Å; W18-F309 HydrophobicContact CD2-CE2 4.16Å; W18-F309 AromaticContact CE2-CE2 3.76Å; W18-F309 HydrophobicContact CG-CE2 4.34Å; W18-F309 HydrophobicContact CZ2-CD2 4.25Å; W18-F309 HydrophobicContact CZ2-CE2 4.2Å; W18-F309 AromaticContact NE1-CE2 3.56Å; T240-F309 HydrophobicContact CG2-CE2 4.16Å; T240-F309 HydrophobicContact CG2-CZ 4.22Å; A286-F309 HydrophobicContact CB-CB 4.38Å; A286-F309 HydrophobicContact CB-CD1 3.73Å; A286-F309 HydrophobicContact CB-CD2 3.63Å; A286-F309 HydrophobicContact CB-CE1 3.79Å; A286-F309 HydrophobicContact CB-CE2 3.72Å; A286-F309 HydrophobicContact CB-CG 3.64Å; A286-F309 HydrophobicContact CB-CZ 3.79Å; I288-F309 HydrophobicContact CG2-CE1 3.77Å; I288-F309 HydrophobicContact CG2-CZ 4.12Å; A298-F309 HydrophobicContact CB-CD1 3.98Å; A298-F309 HydrophobicContact CB-CE1 3.97Å; C300-F309 HydrophobicContact CB-CB 3.61Å; C300-F309 HydrophobicContact CB-CG 4.2Å; C300-F309 WeakPolarHBondContact SG-CB 3.39Å; F309-Y311 HydrophobicContact CD1-CD1 4.41Å; F309-Y311 HydrophobicContact CE1-CD1 4.41Å; F309-S325 CarbonylContact O-C 3.49Å; F309-S325 VanDerWaalsContact O-CA 3.23Å; F309-S325 WeakPolarHBondContact O-CA 3.33Å; F309-V326 HydrophobicContact CB-CG2 4.14Å; F309-V326 HydrophobicContact CD1-CG2 4.12Å; F309-V326 PolarHBondContact N-O 3.15Å; F309-V326 PolarHBondContact O-N 2.98Å
310H95.6Very high93.3Very high61 Ų6147.1 Ų47.128%0.28226%0.255SS..EExtended strand (participates in β ladder)trans-99140.9179.4-68.582.3000109.9W18 E308 L323 K324W18-H310 WeakPolarHBondContact CA-O 3.47Å; W18-H310 PolarHBondContact N-O 3.5Å; E308-H310 IonicContact OE2-CE1 3.4Å; E308-H310 PolarHBondContact OE2-CE1 3.27Å; E308-H310 IonicContact OE2-NE2 3.91Å; H310-L323 HydrophobicContact CB-CD1 4.1Å; H310-K324 WeakPolarHBondContact CA-O 3.45Å
311Y96.4Very high93.2Very high17 Ų1747.7 Ų47.77%0.06726%0.26CS..EExtended strand (participates in β ladder)trans-150159.917964.9-81.2000109.6I15 N16 I288 Y296 A298 F309 V313 K324 V326I15-Y311 HydrophobicContact CD1-CD2 3.63Å; I15-Y311 HydrophobicContact CD1-CE2 3.7Å; I15-Y311 HydrophobicContact CG1-CD2 3.88Å; I15-Y311 HydrophobicContact CG1-CE2 4.37Å; N16-Y311 WeakPolarHBondContact O-CA 3.19Å; N16-Y311 WeakPolarHBondContact O-CB 3.26Å; I288-Y311 HydrophobicContact CG2-CD2 4.41Å; I288-Y311 HydrophobicContact CG2-CG 4.27Å; Y296-Y311 HydrophobicContact CD2-CE2 4.1Å; Y296-Y311 HydrophobicContact CE2-CE2 4.12Å; A298-Y311 HydrophobicContact CB-CD1 3.79Å; A298-Y311 HydrophobicContact CB-CE1 3.59Å; A298-Y311 HydrophobicContact CB-CG 4.36Å; F309-Y311 HydrophobicContact CD1-CD1 4.41Å; F309-Y311 HydrophobicContact CE1-CD1 4.41Å; Y311-V313 HydrophobicContact CD2-CG2 3.73Å; Y311-V313 HydrophobicContact CE2-CG2 3.52Å; Y311-K324 HydrophobicContact CD1-CB 4.08Å; Y311-K324 HydrophobicContact CD2-CB 4Å; Y311-K324 HydrophobicContact CE1-CB 3.6Å; Y311-K324 HydrophobicContact CE2-CB 3.55Å; Y311-K324 HydrophobicContact CE2-CG 4.02Å; Y311-K324 HydrophobicContact CG-CB 4.26Å; Y311-K324 PolarHBondContact N-O 3.27Å; Y311-K324 PolarHBondContact O-N 3.06Å; Y311-K324 VanDerWaalsContact O-O 3.1Å; Y311-V326 HydrophobicContact CE1-CG1 4.16Å
312M96.6Very high93.2Very high5 Ų550 Ų503%0.02527%0.274CS..EExtended strand (participates in β ladder)trans-109.1144.6-178.8-63.5-63.5-57.900110.6I15 N16 W18 K21 T24 A321 V322 L323I15-M312 WeakPolarHBondContact CA-O 3.45Å; N16-M312 PolarHBondContact N-O 3.1Å; N16-M312 PolarHBondContact O-N 3.27Å; N16-M312 WeakPolarHBondContact OD1-CB 3.34Å; W18-M312 WeakPolarHBondContact O-CG 3.42Å; K21-M312 HydrophobicContact CB-CE 3.92Å; K21-M312 HydrophobicContact CG-CE 3.89Å; T24-M312 HydrophobicContact CG2-CB 4.08Å; T24-M312 WeakPolarHBondContact OG1-CB 3.49Å; M312-A321 HydrophobicContact CE-CB 3.73Å; M312-V322 WeakPolarHBondContact CA-O 3.43Å; M312-V322 VanDerWaalsContact CE-C 3.48Å; M312-L323 HydrophobicContact SD-CB 3.85Å; M312-L323 HydrophobicContact SD-CD1 3.62Å; M312-L323 HydrophobicContact SD-CG 4.37Å
313V97.4Very high93.3Very high2 Ų247.2 Ų47.21%0.01227%0.27CS..EExtended strand (participates in β ladder)trans-134.4137176.2-178.10000109.6L13 V14 I15 Y296 Y311 V322 K324L13-V313 HydrophobicContact CD1-CG1 3.56Å; V14-V313 CarbonylContact O-C 3.59Å; V14-V313 VanDerWaalsContact O-CA 3.32Å; V14-V313 WeakPolarHBondContact O-CA 3.3Å; I15-V313 HydrophobicContact CB-CG2 4.37Å; I15-V313 HydrophobicContact CD1-CG2 4.11Å; I15-V313 HydrophobicContact CG1-CG2 4Å; Y296-V313 HydrophobicContact CD1-CG1 4.43Å; Y296-V313 HydrophobicContact CD2-CG2 4.12Å; Y296-V313 HydrophobicContact CE1-CG1 3.89Å; Y296-V313 HydrophobicContact CE2-CG1 4.39Å; Y296-V313 HydrophobicContact CE2-CG2 3.76Å; Y311-V313 HydrophobicContact CD2-CG2 3.73Å; Y311-V313 HydrophobicContact CE2-CG2 3.52Å; V313-V322 PolarHBondContact N-O 3.02Å; V313-V322 PolarHBondContact O-N 3.48Å; V313-K324 HydrophobicContact CB-CG 4.33Å; V313-K324 HydrophobicContact CG2-CG 3.88Å
314A96.9Very high93.6Very high0 Ų050.4 Ų50.40%028%0.283CS..EExtended strand (participates in β ladder)trans-127.2131.8163.700000108.5V14 T24 W28V14-A314 PolarHBondContact N-O 2.75Å; V14-A314 PolarHBondContact O-N 2.95Å; T24-A314 HydrophobicContact CG2-CB 3.86Å; W28-A314 HydrophobicContact CB-CB 3.94Å; W28-A314 HydrophobicContact CD2-CB 3.7Å; W28-A314 HydrophobicContact CE3-CB 3.75Å; W28-A314 HydrophobicContact CG-CB 3.79Å; W28-A314 WeakPolarHBondContact CZ3-O 3.2Å
315D95.2Very high93.9Very high12 Ų1246.8 Ų46.86%0.06426%0.26CS..EExtended strand (participates in β ladder)trans-1431771786724.7000111.1S10 P12 L13 W28 E317 S318 D319S10-D315 WeakPolarHBondContact OG-CB 2.98Å; S10-D315 VanDerWaalsContact OG-CG 3.22Å; S10-D315 PolarHBondContact OG-OD2 2.97Å; P12-D315 WeakPolarHBondContact O-CA 3.15Å; L13-D315 HydrophobicContact CD1-CB 3.99Å; W28-D315 VanDerWaalsContact CH2-CA 3.43Å; W28-D315 WeakPolarHBondContact CH2-O 3.35Å; W28-D315 VanDerWaalsContact CZ2-C 3.47Å; W28-D315 VanDerWaalsContact CZ2-O 3.26Å; W28-D315 WeakPolarHBondContact CZ2-O 3.43Å; D315-E317 PolarHBondContact O-N 2.98Å; D315-E317 VanDerWaalsContact O-N 3.14Å; D315-E317 WeakPolarHBondContact OD1-CA 3.4Å; D315-E317 WeakPolarHBondContact OD1-CB 3.5Å; D315-E317 PolarHBondContact OD1-N 3.25Å; D315-S318 PolarHBondContact N-OG 2.88Å; D315-S318 PolarHBondContact O-N 3.45Å; D315-S318 PolarHBondContact O-OG 2.88Å; D315-S318 PolarHBondContact OD1-N 3.36Å; D315-S318 PolarHBondContact OD1-OG 3.28Å; D315-D319 PolarHBondContact O-N 3.47Å
316S90.6Very high94.6Very high60 Ų6046.1 Ų46.142%0.4226%0.255SS..THydrogen-bonded Turntrans-62.3-19-178.560.20000114.2S10 L11 P12S10-S316 WeakPolarHBondContact CB-OG 3.47Å; L11-S316 WeakPolarHBondContact O-CB 3.45Å; L11-S316 PolarHBondContact O-OG 2.75Å; P12-S316 PolarHBondContact O-N 3.29Å
317E88.9Confident95Very high127 Ų12750.9 Ų50.959%0.59329%0.286SS*.THydrogen-bonded Turntrans-86.8-42.8178.7-65.7-174.5176.700111.5H8 D315H8-E317 WeakPolarHBondContact CB-OE1 3.5Å; D315-E317 PolarHBondContact O-N 2.98Å; D315-E317 VanDerWaalsContact O-N 3.14Å; D315-E317 WeakPolarHBondContact OD1-CA 3.4Å; D315-E317 WeakPolarHBondContact OD1-CB 3.5Å; D315-E317 PolarHBondContact OD1-N 3.25Å
318S89.6Confident95.2Very high35 Ų3547.2 Ų47.225%0.24526%0.264CS..THydrogen-bonded Turntrans-79.5-29.3-179.9710000113.2D315 T320D315-S318 PolarHBondContact N-OG 2.88Å; D315-S318 PolarHBondContact O-N 3.45Å; D315-S318 PolarHBondContact O-OG 2.88Å; D315-S318 PolarHBondContact OD1-N 3.36Å; D315-S318 PolarHBondContact OD1-OG 3.28Å; S318-T320 PolarHBondContact O-N 3.46Å; S318-T320 PolarHBondContact O-OG1 3.38Å; S318-T320 PolarHBondContact OG-O 2.87Å
319D91.8Very high95.1Very high93 Ų9347.1 Ų47.150%0.49726%0.262SS..  trans5210.6-173.6-158.436.2000114.6W28 Q32 D315W28-D319 PolarHBondContact NE1-O 3.06Å; W28-D319 PolarHBondContact NE1-OD1 3.18Å; Q32-D319 PolarHBondContact NE2-OD1 3.44Å; D315-D319 PolarHBondContact O-N 3.47Å
320T93.6Very high95.1Very high82 Ų8249.5 Ų49.550%0.50328%0.275SS..SBendtrans-154.4156.7-170.9590000109.6S318 V322S318-T320 PolarHBondContact O-N 3.46Å; S318-T320 PolarHBondContact O-OG1 3.38Å; S318-T320 PolarHBondContact OG-O 2.87Å; T320-V322 PolarHBondContact O-N 2.86Å
321A95.2Very high95.1Very high12 Ų1248.9 Ų48.910%0.09928%0.275CS..  trans-70.9115.2176.200000111.6K21 T24 M312K21-A321 HydrophobicContact CG-CB 3.83Å; T24-A321 HydrophobicContact CG2-CB 3.95Å; M312-A321 HydrophobicContact CE-CB 3.73Å
322V97.2Very high95Very high48 Ų4850.7 Ų50.729%0.29129%0.286SS..EExtended strand (participates in β ladder)trans-111.4132.1-178.6178.10000110.2M312 V313 T320 K324M312-V322 WeakPolarHBondContact CA-O 3.43Å; M312-V322 VanDerWaalsContact CE-C 3.48Å; V313-V322 PolarHBondContact N-O 3.02Å; V313-V322 PolarHBondContact O-N 3.48Å; T320-V322 PolarHBondContact O-N 2.86Å; V322-K324 HydrophobicContact CG1-CD 4.36Å
323L97.3Very high94.9Very high90 Ų9053.4 Ų53.447%0.47130%0.302SS..EExtended strand (participates in β ladder)trans-74.2131.3173.3-176.665.1000110.4P19 H310 M312P19-L323 HydrophobicContact CB-CD1 3.75Å; H310-L323 HydrophobicContact CB-CD1 4.1Å; M312-L323 HydrophobicContact SD-CB 3.85Å; M312-L323 HydrophobicContact SD-CD1 3.62Å; M312-L323 HydrophobicContact SD-CG 4.37Å
324K97.4Very high94.8Very high78 Ų7856.6 Ų56.634%0.33932%0.32SS..EExtended strand (participates in β ladder)trans-124.9160.1173.8-59.2-64.9-175176.20109.3H310 Y311 V313 V322H310-K324 WeakPolarHBondContact CA-O 3.45Å; Y311-K324 HydrophobicContact CD1-CB 4.08Å; Y311-K324 HydrophobicContact CD2-CB 4Å; Y311-K324 HydrophobicContact CE1-CB 3.6Å; Y311-K324 HydrophobicContact CE2-CB 3.55Å; Y311-K324 HydrophobicContact CE2-CG 4.02Å; Y311-K324 HydrophobicContact CG-CB 4.26Å; Y311-K324 PolarHBondContact N-O 3.27Å; Y311-K324 PolarHBondContact O-N 3.06Å; Y311-K324 VanDerWaalsContact O-O 3.1Å; V313-K324 HydrophobicContact CB-CG 4.33Å; V313-K324 HydrophobicContact CG2-CG 3.88Å; V322-K324 HydrophobicContact CG1-CD 4.36Å
325S97Very high94.6Very high52 Ų5260.3 Ų60.336%0.36434%0.341SS..EExtended strand (participates in β ladder)trans-146.4154.517668.30000112.3E308 F309E308-S325 WeakPolarHBondContact OE1-CB 3.34Å; E308-S325 PolarHBondContact OE1-OG 3.36Å; F309-S325 CarbonylContact O-C 3.49Å; F309-S325 VanDerWaalsContact O-CA 3.23Å; F309-S325 WeakPolarHBondContact O-CA 3.33Å
326V97.3Very high94.6Very high29 Ų2963.8 Ų63.818%0.17636%0.361CS..EExtended strand (participates in β ladder)trans-133.3138.8170.8-70.40000110.4A298 E308 F309 Y311A298-V326 HydrophobicContact CB-CG1 4.29Å; A298-V326 HydrophobicContact CB-CG2 3.79Å; E308-V326 WeakPolarHBondContact CA-O 3.27Å; F309-V326 HydrophobicContact CB-CG2 4.14Å; F309-V326 HydrophobicContact CD1-CG2 4.12Å; F309-V326 PolarHBondContact N-O 3.15Å; F309-V326 PolarHBondContact O-N 2.98Å; Y311-V326 HydrophobicContact CE1-CG1 4.16Å
327P97.4Very high94.9Very high105 Ų10564.1 Ų64.168%0.68236%0.356SS*.EExtended strand (participates in β ladder)trans-69135.6173.629-33.7000110.2
328C96.4Very high95.4Very high6 Ų658.8 Ų58.84%0.04134%0.337CS..  trans-75.8147.9175.2-540000111C300 R302 T307C300-C328 HydrophobicContact CB-CB 3.99Å; C300-C328 WeakPolarHBondContact CB-SG 3.39Å; C300-C328 WeakPolarHBondContact SG-CA 3.41Å; C300-C328 WeakPolarHBondContact SG-CB 3.49Å; C300-C328 CovalentContact SG-SG 2.03Å; C300-C328 PolarHBondContact SG-SG 3.37Å; R302-C328 HydrophobicContact CB-CB 3.81Å; R302-C328 HydrophobicContact CG-CB 4.37Å; T307-C328 PolarHBondContact O-N 2.9Å
329F94.6Very high95.9Very high76 Ų7661 Ų6133%0.33335%0.345SS..  trans-121.10-17569.6-83.1000112.1K270 I273 S274 K277 A299 C300 N301 R302K270-F329 HydrophobicContact CB-CE1 4.46Å; K270-F329 HydrophobicContact CB-CZ 4.43Å; K270-F329 HydrophobicContact CG-CD1 4.41Å; K270-F329 HydrophobicContact CG-CE1 3.79Å; K270-F329 HydrophobicContact CG-CE2 4.06Å; K270-F329 HydrophobicContact CG-CZ 3.58Å; I273-F329 HydrophobicContact CB-CE1 4.33Å; I273-F329 HydrophobicContact CB-CZ 3.89Å; I273-F329 HydrophobicContact CG2-CE1 3.92Å; I273-F329 HydrophobicContact CG2-CE2 4.37Å; I273-F329 HydrophobicContact CG2-CZ 3.51Å; S274-F329 WeakPolarHBondContact OG-CE2 3.07Å; K277-F329 PolarHBondContact NZ-O 2.67Å; K277-F329 PolarHBondContact NZ-OXT 3.09Å; A299-F329 HydrophobicContact CB-CE1 4.12Å; C300-F329 VanDerWaalsContact O-CD1 3.26Å; C300-F329 WeakPolarHBondContact O-CD1 3.31Å; C300-F329 WeakPolarHBondContact O-CE1 3.28Å; C300-F329 PolarHBondContact O-N 3.08Å; N301-F329 PolarHBondContact OD1-O 3.06Å; R302-F329 WeakPolarHBondContact CB-O 3.42Å; R302-F329 PolarHBondContact N-O 3.18Å

Retrieved 329 of 329 residues in 266.8 ms (Link to these results)

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