A0A3Q0KDS2_SCHMA Loading...

mannose-1-phosphate guanylyltransferase

AlphaFold DB , UniProt , Accession A0A3Q0KDS2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 364 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
1M93.2Very high90.8Very high45 Ų4526.5 Ų26.522%0.22216%0.16CC..  0132.60-178.2167.7-70.200110V46 S47 S105 P106 F108 M124M1-V46 HydrophobicContact CG-CG2 4.28Å; M1-S47 PolarHBondContact O-N 3.29Å; M1-S47 VanDerWaalsContact O-N 3.15Å; M1-S47 PolarHBondContact O-OG 2.52Å; M1-S105 WeakPolarHBondContact CA-OG 3.09Å; M1-S105 PolarHBondContact N-OG 2.91Å; M1-P106 HydrophobicContact CE-CG 3.9Å; M1-P106 WeakPolarHBondContact CG-O 3.45Å; M1-F108 HydrophobicContact SD-CD2 4.09Å; M1-F108 HydrophobicContact SD-CE2 3.69Å; M1-M124 HydrophobicContact CE-CE 3.86Å; M1-M124 HydrophobicContact SD-CE 3.86Å; M1-M124 HydrophobicContact SD-CG 4.47Å; M1-M124 HydrophobicContact SD-SD 4.16Å
2K97.4Very high90.8Very high17 Ų1730.1 Ų30.17%0.07418%0.182CC..EExtended strand (participates in β ladder)trans-120169.7-178.5-55.8-168.4-175.7-158.50111.2E48 I50 L99 F107 F108K2-E48 WeakPolarHBondContact CA-O 3.38Å; K2-E48 HydrophobicContact CD-CB 4.37Å; K2-E48 WeakPolarHBondContact CE-OE2 3.36Å; K2-E48 HydrophobicContact CG-CB 4.3Å; K2-E48 IonicContact NZ-OE2 2.74Å; K2-E48 PolarHBondContact NZ-OE2 3.09Å; K2-I50 HydrophobicContact CD-CD1 4.34Å; K2-L99 WeakPolarHBondContact CD-O 3.41Å; K2-L99 WeakPolarHBondContact CE-O 3.22Å; K2-L99 PolarHBondContact NZ-O 3.14Å; K2-F107 HydrophobicContact CB-CB 4.49Å; K2-F107 VanDerWaalsContact O-CA 3.27Å; K2-F107 WeakPolarHBondContact O-CA 3.35Å; K2-F107 WeakPolarHBondContact O-CB 3.42Å; K2-F108 PolarHBondContact O-N 3.28Å
3A98.3Very high90.9Very high0 Ų036.6 Ų36.60%020%0.202CC..EExtended strand (participates in β ladder)trans-133.6151.1167.600000110.4L41 V46 E48 V49 I50 F108A3-L41 HydrophobicContact CB-CD1 3.67Å; A3-L41 HydrophobicContact CB-CD2 4.07Å; A3-L41 HydrophobicContact CB-CG 4.45Å; A3-V46 HydrophobicContact CB-CG1 3.97Å; A3-E48 PolarHBondContact N-O 3.29Å; A3-V49 HydrophobicContact CB-CG2 4.31Å; A3-V49 CarbonylContact O-C 3.55Å; A3-V49 WeakPolarHBondContact O-CA 3.29Å; A3-I50 PolarHBondContact O-N 3.11Å; A3-F108 CarbonylContact C-O 3.59Å; A3-F108 VanDerWaalsContact CA-O 3.28Å; A3-F108 WeakPolarHBondContact CA-O 3.5Å; A3-F108 HydrophobicContact CB-CB 3.81Å
4L98.3Very high91.2Very high0 Ų034.1 Ų34.10%019%0.188CC..EExtended strand (participates in β ladder)trans-118.5127.7168.8-176.9148.8000108.9L6 I50 A52 I93 A96 L100 F108 V109 L110L4-L6 HydrophobicContact CD2-CD2 3.59Å; L4-L6 HydrophobicContact CD2-CG 4.16Å; L4-I50 CarbonylContact C-O 3.56Å; L4-I50 VanDerWaalsContact CA-O 3.23Å; L4-I50 WeakPolarHBondContact CA-O 3.45Å; L4-I50 HydrophobicContact CD1-CG2 4.32Å; L4-A52 HydrophobicContact CD2-CB 4.05Å; L4-A52 HydrophobicContact CG-CB 4.42Å; L4-I93 HydrophobicContact CD2-CG1 4.4Å; L4-A96 HydrophobicContact CD1-CB 3.65Å; L4-L100 HydrophobicContact CB-CD2 4.45Å; L4-L100 HydrophobicContact CD1-CD1 4.11Å; L4-F108 PolarHBondContact N-O 2.85Å; L4-V109 HydrophobicContact CB-CG2 4.41Å; L4-V109 HydrophobicContact CD2-CG1 4.2Å; L4-V109 CarbonylContact O-C 3.58Å; L4-V109 WeakPolarHBondContact O-CA 3.29Å; L4-L110 PolarHBondContact O-N 2.76Å
5I97.6Very high91.5Very high0 Ų038.1 Ų38.10%020%0.199CC..EExtended strand (participates in β ladder)trans-113.2126.8176.1-49.7176.9000109V7 L34 Q37 I38 L41 V49 I50 L51 A52 L110I5-V7 HydrophobicContact CB-CG2 4.48Å; I5-V7 HydrophobicContact CG2-CG2 4.17Å; I5-V7 PolarHBondContact O-N 3.02Å; I5-L34 HydrophobicContact CB-CD1 4.22Å; I5-L34 HydrophobicContact CD1-CD1 3.71Å; I5-L34 HydrophobicContact CD1-CG 4.37Å; I5-L34 HydrophobicContact CG2-CD1 3.59Å; I5-Q37 HydrophobicContact CD1-CB 4.26Å; I5-I38 HydrophobicContact CD1-CG1 4.05Å; I5-L41 HydrophobicContact CD1-CD1 4.2Å; I5-V49 HydrophobicContact CD1-CG1 3.6Å; I5-V49 HydrophobicContact CG1-CG1 3.86Å; I5-I50 PolarHBondContact N-O 2.84Å; I5-L51 HydrophobicContact CB-CD2 3.86Å; I5-L51 HydrophobicContact CD1-CD2 4.14Å; I5-L51 HydrophobicContact CG1-CD2 4.26Å; I5-A52 PolarHBondContact O-N 3.15Å; I5-L110 WeakPolarHBondContact CA-O 3.29Å; I5-L110 HydrophobicContact CG1-CB 4.33Å; I5-L110 HydrophobicContact CG1-CD1 4.45Å; I5-L110 HydrophobicContact CG2-CB 4.29Å
6L95.6Very high91.8Very high19 Ų1935.8 Ų35.810%0.09919%0.187CC..EExtended strand (participates in β ladder)trans-77.2109.2179.3-61175.9000110.1L4 A52 T89 P92 V109 L110 S112L4-L6 HydrophobicContact CD2-CD2 3.59Å; L4-L6 HydrophobicContact CD2-CG 4.16Å; L6-A52 HydrophobicContact CD2-CB 4.13Å; L6-T89 HydrophobicContact CD1-CG2 4.4Å; L6-P92 HydrophobicContact CD2-CB 3.91Å; L6-P92 HydrophobicContact CD2-CG 3.87Å; L6-V109 HydrophobicContact CD1-CG1 4.43Å; L6-V109 HydrophobicContact CG-CG1 4.42Å; L6-L110 PolarHBondContact N-O 3.38Å; L6-S112 WeakPolarHBondContact O-CB 3.48Å; L6-S112 PolarHBondContact O-N 3.48Å; L6-S112 PolarHBondContact O-OG 3.31Å
7V91.4Very high92.1Very high10 Ų1033.7 Ų33.76%0.06118%0.176CC..  trans-119.85.9-174.3179.20000112.2I5 G9 P24 L34 L51 A52 V53 L63I5-V7 HydrophobicContact CB-CG2 4.48Å; I5-V7 HydrophobicContact CG2-CG2 4.17Å; I5-V7 PolarHBondContact O-N 3.02Å; V7-G9 VanDerWaalsContact C-N 3.25Å; V7-G9 PolarHBondContact O-N 3.43Å; V7-P24 HydrophobicContact CB-CG 4.42Å; V7-P24 HydrophobicContact CG1-CB 4.43Å; V7-P24 HydrophobicContact CG1-CG 3.38Å; V7-P24 HydrophobicContact CG2-CG 4.33Å; V7-L34 HydrophobicContact CG2-CD1 4.36Å; V7-L51 HydrophobicContact CG2-CB 4.43Å; V7-L51 HydrophobicContact CG2-CD2 4.3Å; V7-A52 CarbonylContact C-O 3.45Å; V7-A52 VanDerWaalsContact C-O 3.29Å; V7-A52 VanDerWaalsContact CA-O 3.24Å; V7-A52 WeakPolarHBondContact CA-O 3.46Å; V7-A52 WeakPolarHBondContact CB-O 3.37Å; V7-A52 PolarHBondContact N-O 2.81Å; V7-V53 HydrophobicContact CB-CG2 4.11Å; V7-V53 HydrophobicContact CG1-CG2 4.07Å; V7-L63 HydrophobicContact CG1-CD2 3.62Å
8G79.1Confident92.2Very high25 Ų2532.2 Ų32.226%0.25817%0.169SC..  trans-69-4.5-17300000117.7A52G8-A52 PolarHBondContact N-O 2.62Å; G8-A52 VanDerWaalsContact N-O 3.12Å
9G79.2Confident92.2Very high45 Ų4533.4 Ų33.446%0.46418%0.175SC..  trans-85.3137.1-175.500000114.4V7 G11V7-G9 VanDerWaalsContact C-N 3.25Å; V7-G9 PolarHBondContact O-N 3.43Å; G9-G11 PolarHBondContact O-N 3.05Å
10Y80.4Confident92.2Very high119 Ų11932.3 Ų32.347%0.46717%0.169SC..  trans-61.9-7.2174.2-65.5-85.4000115.3T12 C56Y10-T12 PolarHBondContact O-N 2.7Å; Y10-T12 VanDerWaalsContact O-N 3.13Å; Y10-C56 VanDerWaalsContact CE1-O 3.22Å; Y10-C56 WeakPolarHBondContact CE1-O 3.3Å; Y10-C56 WeakPolarHBondContact OH-CB 3.39Å
11G88Confident92.2Very high11 Ų1133.4 Ų33.411%0.11317%0.172CC..  trans60.824.8179.700000114.3G9 R13 L14 T18G9-G11 PolarHBondContact O-N 3.05Å; G11-R13 PolarHBondContact O-N 2.98Å; G11-R13 VanDerWaalsContact O-N 3.16Å; G11-L14 PolarHBondContact O-N 3.07Å; G11-T18 WeakPolarHBondContact O-CB 3.42Å; G11-T18 WeakPolarHBondContact O-CG2 3.37Å; G11-T18 PolarHBondContact O-OG1 2.74Å
12T90.6Very high92.2Very high70 Ų7032.2 Ų32.243%0.42917%0.167SC..G310 helixtrans-57-33.6-171.754.10000113.9Y10 L14 R15Y10-T12 PolarHBondContact O-N 2.7Å; Y10-T12 VanDerWaalsContact O-N 3.13Å; T12-L14 PolarHBondContact O-N 2.87Å; T12-R15 WeakPolarHBondContact O-CB 3.35Å; T12-R15 VanDerWaalsContact O-CG 3.23Å; T12-R15 WeakPolarHBondContact O-CG 3.32Å; T12-R15 PolarHBondContact O-N 2.98Å
13R92.9Very high92Very high115 Ų11532.2 Ų32.243%0.43417%0.167SC..G310 helixtrans-66.2-23.8178.9-64.8-172.3-66.5152.4-0113.3G11 D113 D221 G223 Q224 P225G11-R13 PolarHBondContact O-N 2.98Å; G11-R13 VanDerWaalsContact O-N 3.16Å; R13-D113 IonicContact NH2-OD2 2.57Å; R13-D221 IonicContact NH2-OD2 3.19Å; R13-G223 VanDerWaalsContact CB-O 3.28Å; R13-G223 WeakPolarHBondContact CB-O 3.27Å; R13-Q224 HydrophobicContact CB-CB 4.17Å; R13-P225 WeakPolarHBondContact O-CD 3.23Å
14L94.8Very high91.7Very high1 Ų132.4 Ų32.41%0.00517%0.169CC..G310 helixtrans-95.78.7178.3-162.765.3000112.8G11 T12 L17 T18 K23 V26 P225 F228G11-L14 PolarHBondContact O-N 3.07Å; T12-L14 PolarHBondContact O-N 2.87Å; L14-L17 HydrophobicContact CD1-CD1 4.44Å; L14-L17 HydrophobicContact CG-CD1 4.25Å; L14-L17 WeakPolarHBondContact O-CB 3.37Å; L14-L17 PolarHBondContact O-N 3.33Å; L14-L17 VanDerWaalsContact O-N 3.15Å; L14-T18 HydrophobicContact CB-CG2 3.85Å; L14-T18 HydrophobicContact CD2-CG2 4.16Å; L14-T18 HydrophobicContact CG-CG2 4.31Å; L14-K23 HydrophobicContact CD2-CG 4Å; L14-V26 HydrophobicContact CD2-CG1 4.43Å; L14-V26 HydrophobicContact CD2-CG2 4.47Å; L14-P225 HydrophobicContact CD1-CG 4.35Å; L14-F228 HydrophobicContact CD1-CB 4.32Å; L14-F228 HydrophobicContact CD1-CD2 4.26Å
15R95.3Very high91.5Very high95 Ų9533 Ų3336%0.35817%0.171SC..THydrogen-bonded Turntrans-62.1144.4171.9-70.3177176.9174.4-4.4110T12 T18 L19T12-R15 WeakPolarHBondContact O-CB 3.35Å; T12-R15 VanDerWaalsContact O-CG 3.23Å; T12-R15 WeakPolarHBondContact O-CG 3.32Å; T12-R15 PolarHBondContact O-N 2.98Å; R15-T18 WeakPolarHBondContact CG-OG1 3.48Å; R15-T18 PolarHBondContact N-OG1 3.41Å; R15-L19 HydrophobicContact CB-CG 4.47Å; R15-L19 HydrophobicContact CG-CD2 4.17Å; R15-L19 HydrophobicContact CG-CG 4.02Å
16P96.7Very high91.4Very high1 Ų133 Ų331%0.00617%0.171CC..THydrogen-bonded Turncis-83-7.51332.9-39.2000116.3T18 L19 V329 V347 L348P16-T18 VanDerWaalsContact C-N 3.28Å; P16-T18 PolarHBondContact O-N 3.09Å; P16-L19 HydrophobicContact CB-CD1 4.34Å; P16-L19 VanDerWaalsContact O-CB 3.22Å; P16-L19 WeakPolarHBondContact O-CB 3.39Å; P16-L19 PolarHBondContact O-N 2.79Å; P16-V329 HydrophobicContact CG-CB 4.3Å; P16-V329 HydrophobicContact CG-CG1 3.82Å; P16-V347 WeakPolarHBondContact CB-O 3.21Å; P16-V347 VanDerWaalsContact CG-O 3.26Å; P16-V347 WeakPolarHBondContact CG-O 3.44Å; P16-L348 HydrophobicContact CB-CD2 4Å
17L96.5Very high91.4Very high0 Ų033.7 Ų33.70%017%0.174CC..G310 helixtrans-60.1-40.5-174.8-57.7175.9000112.5L14 L19 T20 Y21 V26 L296 I311 W314 V329 L330L14-L17 HydrophobicContact CD1-CD1 4.44Å; L14-L17 HydrophobicContact CG-CD1 4.25Å; L14-L17 WeakPolarHBondContact O-CB 3.37Å; L14-L17 PolarHBondContact O-N 3.33Å; L14-L17 VanDerWaalsContact O-N 3.15Å; L17-L19 PolarHBondContact O-N 3.06Å; L17-T20 PolarHBondContact O-N 2.94Å; L17-Y21 PolarHBondContact O-N 3.26Å; L17-V26 HydrophobicContact CD1-CG1 4.21Å; L17-L296 HydrophobicContact CD1-CD1 4.46Å; L17-L296 HydrophobicContact CD2-CD1 3.98Å; L17-I311 HydrophobicContact CD1-CG2 3.77Å; L17-I311 HydrophobicContact CD2-CG2 4.34Å; L17-W314 HydrophobicContact CB-CH2 3.95Å; L17-W314 HydrophobicContact CB-CZ3 4.02Å; L17-W314 HydrophobicContact CD2-CH2 4.22Å; L17-W314 HydrophobicContact CD2-CZ3 3.89Å; L17-V329 HydrophobicContact CD1-CG1 4.37Å; L17-V329 HydrophobicContact CD2-CG1 4.11Å; L17-V329 HydrophobicContact CG-CG1 3.95Å; L17-L330 WeakPolarHBondContact CD2-O 3.3Å
18T94.3Very high91.8Very high7 Ų733.2 Ų33.24%0.04317%0.171CC..G310 helixtrans-77.72.7178.854.70000114.2G11 L14 R15 P16 T20 Y21 K23 V26 R59G11-T18 WeakPolarHBondContact O-CB 3.42Å; G11-T18 WeakPolarHBondContact O-CG2 3.37Å; G11-T18 PolarHBondContact O-OG1 2.74Å; L14-T18 HydrophobicContact CB-CG2 3.85Å; L14-T18 HydrophobicContact CD2-CG2 4.16Å; L14-T18 HydrophobicContact CG-CG2 4.31Å; R15-T18 WeakPolarHBondContact CG-OG1 3.48Å; R15-T18 PolarHBondContact N-OG1 3.41Å; P16-T18 VanDerWaalsContact C-N 3.28Å; P16-T18 PolarHBondContact O-N 3.09Å; T18-T20 VanDerWaalsContact C-N 3.31Å; T18-Y21 VanDerWaalsContact CA-O 3.27Å; T18-Y21 WeakPolarHBondContact CA-O 3.49Å; T18-K23 HydrophobicContact CG2-CB 3.99Å; T18-V26 HydrophobicContact CG2-CG2 4.46Å; T18-R59 PolarHBondContact O-NH2 3.14Å
19L93.2Very high92.7Very high55 Ų5532.3 Ų32.329%0.28816%0.161SC..G310 helixtrans-82.6-7162-61.8176.2000112.8R15 P16 L17 R59 L348 P349R15-L19 HydrophobicContact CB-CG 4.47Å; R15-L19 HydrophobicContact CG-CD2 4.17Å; R15-L19 HydrophobicContact CG-CG 4.02Å; P16-L19 HydrophobicContact CB-CD1 4.34Å; P16-L19 VanDerWaalsContact O-CB 3.22Å; P16-L19 WeakPolarHBondContact O-CB 3.39Å; P16-L19 PolarHBondContact O-N 2.79Å; L17-L19 PolarHBondContact O-N 3.06Å; L19-R59 PolarHBondContact O-NH1 3.4Å; L19-R59 PolarHBondContact O-NH2 2.59Å; L19-L348 HydrophobicContact CD1-CD1 4.3Å; L19-L348 HydrophobicContact CD1-CD2 3.62Å; L19-L348 HydrophobicContact CD1-CG 4.37Å; L19-P349 HydrophobicContact CB-CG 4Å
20T92.4Very high93.5Very high10 Ų1031.9 Ų31.96%0.06115%0.148CC..THydrogen-bonded Turntrans-112.5-51.1173.8-650000112.4L17 T18 R59 W314 E332L17-T20 PolarHBondContact O-N 2.94Å; T18-T20 VanDerWaalsContact C-N 3.31Å; T20-R59 WeakPolarHBondContact O-CD 3.47Å; T20-R59 PolarHBondContact O-NE 3.08Å; T20-R59 PolarHBondContact O-NH1 2.99Å; T20-W314 HydrophobicContact CG2-CE3 4.17Å; T20-W314 HydrophobicContact CG2-CZ3 4.33Å; T20-E332 HydrophobicContact CG2-CB 4Å; T20-E332 HydrophobicContact CG2-CG 4.38Å; T20-E332 WeakPolarHBondContact CG2-OE2 3.46Å; T20-E332 VanDerWaalsContact OG1-CB 3.23Å; T20-E332 WeakPolarHBondContact OG1-CB 3.43Å; T20-E332 PolarHBondContact OG1-OE2 3.27Å
21Y92Very high94.3Very high57 Ų5728.9 Ų28.922%0.22414%0.137CC..SBendtrans-127.1143.6-176.9-69.1-61.9000111.6L17 T18 K23 I25 I62 W314L17-Y21 PolarHBondContact O-N 3.26Å; T18-Y21 VanDerWaalsContact CA-O 3.27Å; T18-Y21 WeakPolarHBondContact CA-O 3.49Å; Y21-K23 PolarHBondContact O-N 3.35Å; Y21-I25 HydrophobicContact CD1-CD1 3.92Å; Y21-I25 HydrophobicContact CG-CD1 4.34Å; Y21-I62 HydrophobicContact CD1-CG2 4.01Å; Y21-I62 HydrophobicContact CE1-CG2 4.27Å; Y21-W314 AromaticContact CD2-CD2 3.74Å; Y21-W314 HydrophobicContact CD2-CD2 3.74Å; Y21-W314 AromaticContact CD2-CE2 3.48Å; Y21-W314 VanDerWaalsContact CD2-CE2 3.48Å; Y21-W314 AromaticContact CD2-CE3 3.88Å; Y21-W314 HydrophobicContact CD2-CE3 3.88Å; Y21-W314 AromaticContact CD2-CH2 3.63Å; Y21-W314 HydrophobicContact CD2-CH2 3.63Å; Y21-W314 AromaticContact CD2-CZ2 3.45Å; Y21-W314 HydrophobicContact CD2-CZ2 3.45Å; Y21-W314 VanDerWaalsContact CD2-CZ2 3.45Å; Y21-W314 AromaticContact CD2-CZ3 3.83Å; Y21-W314 HydrophobicContact CD2-CZ3 3.83Å; Y21-W314 AromaticContact CE2-CD2 3.7Å; Y21-W314 HydrophobicContact CE2-CD2 3.7Å; Y21-W314 AromaticContact CE2-CE2 3.69Å; Y21-W314 HydrophobicContact CE2-CE3 4.11Å; Y21-W314 HydrophobicContact CE2-CG 4.01Å; Y21-W314 HydrophobicContact CE2-CZ2 4.15Å; Y21-W314 AromaticContact CE2-NE1 3.91Å; Y21-W314 HydrophobicContact CG-CH2 4.44Å; Y21-W314 HydrophobicContact CG-CZ2 4.39Å
22P92Very high94.6Very high19 Ų1929.1 Ų29.112%0.12314%0.137CC..  trans-59.5141.9173.624-31.1000110.4P24 I25 V26 R59 L63P22-P24 VanDerWaalsContact C-N 3.31Å; P22-P24 WeakPolarHBondContact O-CD 3.22Å; P22-P24 VanDerWaalsContact O-N 3.09Å; P22-I25 HydrophobicContact CG-CD1 3.81Å; P22-I25 HydrophobicContact CG-CG1 3.87Å; P22-I25 WeakPolarHBondContact O-CG1 3.48Å; P22-I25 PolarHBondContact O-N 3.43Å; P22-V26 PolarHBondContact O-N 3.01Å; P22-R59 HydrophobicContact CG-CB 4.42Å; P22-L63 HydrophobicContact CG-CB 3.94Å
23K92.7Very high94.9Very high18 Ų1825.9 Ų25.98%0.07812%0.117CC..G310 helixtrans-43.5-45.3-175.9-174.5-175.971.2-178.10114.6L14 T18 Y21 I25 V26 L33 D113L14-K23 HydrophobicContact CD2-CG 4Å; T18-K23 HydrophobicContact CG2-CB 3.99Å; Y21-K23 PolarHBondContact O-N 3.35Å; K23-I25 PolarHBondContact O-N 3.18Å; K23-I25 VanDerWaalsContact O-N 3.14Å; K23-V26 WeakPolarHBondContact O-CB 3.44Å; K23-V26 PolarHBondContact O-N 3.39Å; K23-V26 VanDerWaalsContact O-N 3.16Å; K23-L33 HydrophobicContact CG-CD2 4.32Å; K23-D113 HydrophobicContact CD-CB 4.17Å; K23-D113 IonicContact NZ-OD2 3.86Å; K23-D113 PolarHBondContact NZ-OD2 2.98Å
24P93Very high95Very high4 Ų420.4 Ų20.43%0.02610%0.097CC..G310 helixtrans-64.5-19.1-175.5-14.425.7000114.8V7 P22 L33 L34 L63V7-P24 HydrophobicContact CB-CG 4.42Å; V7-P24 HydrophobicContact CG1-CB 4.43Å; V7-P24 HydrophobicContact CG1-CG 3.38Å; V7-P24 HydrophobicContact CG2-CG 4.33Å; P22-P24 VanDerWaalsContact C-N 3.31Å; P22-P24 WeakPolarHBondContact O-CD 3.22Å; P22-P24 VanDerWaalsContact O-N 3.09Å; P24-L33 PolarHBondContact O-N 3.46Å; P24-L34 HydrophobicContact CB-CB 3.83Å; P24-L34 HydrophobicContact CB-CD1 4.37Å; P24-L34 HydrophobicContact CB-CD2 4.09Å; P24-L34 HydrophobicContact CB-CG 4.34Å; P24-L34 WeakPolarHBondContact O-CB 3.25Å; P24-L34 PolarHBondContact O-N 3.34Å; P24-L63 HydrophobicContact CB-CD1 4.01Å; P24-L63 HydrophobicContact CG-CD1 4.18Å
25I93.5Very high95Very high11 Ų1120.6 Ų20.66%0.05610%0.097CC..G310 helixtrans-105.7-2.5177.869.5175.2000113.7Y21 P22 K23 E27 I62 L63 E66 L67Y21-I25 HydrophobicContact CD1-CD1 3.92Å; Y21-I25 HydrophobicContact CG-CD1 4.34Å; P22-I25 HydrophobicContact CG-CD1 3.81Å; P22-I25 HydrophobicContact CG-CG1 3.87Å; P22-I25 WeakPolarHBondContact O-CG1 3.48Å; P22-I25 PolarHBondContact O-N 3.43Å; K23-I25 PolarHBondContact O-N 3.18Å; K23-I25 VanDerWaalsContact O-N 3.14Å; I25-E27 PolarHBondContact O-N 3.01Å; I25-I62 HydrophobicContact CD1-CG2 3.72Å; I25-L63 HydrophobicContact CG2-CD1 3.54Å; I25-E66 HydrophobicContact CD1-CB 4.29Å; I25-E66 HydrophobicContact CD1-CG 3.96Å; I25-E66 HydrophobicContact CG2-CB 4.4Å; I25-L67 HydrophobicContact CG2-CD2 4.4Å; I25-L67 HydrophobicContact CG2-CG 4.4Å
26V95.5Very high95.1Very high1 Ų116.6 Ų16.61%0.0068%0.083CC..SBendtrans-60.6126.9168-179.60000107.9L14 L17 T18 P22 K23 F28 L33 F228 L296 W314L14-V26 HydrophobicContact CD2-CG1 4.43Å; L14-V26 HydrophobicContact CD2-CG2 4.47Å; L17-V26 HydrophobicContact CD1-CG1 4.21Å; T18-V26 HydrophobicContact CG2-CG2 4.46Å; P22-V26 PolarHBondContact O-N 3.01Å; K23-V26 WeakPolarHBondContact O-CB 3.44Å; K23-V26 PolarHBondContact O-N 3.39Å; K23-V26 VanDerWaalsContact O-N 3.16Å; V26-F28 PolarHBondContact O-N 3.37Å; V26-L33 PolarHBondContact O-N 2.98Å; V26-L33 VanDerWaalsContact O-N 3.09Å; V26-F228 HydrophobicContact CG1-CE2 4.39Å; V26-L296 HydrophobicContact CG1-CD1 4.4Å; V26-W314 HydrophobicContact CB-CH2 4.49Å; V26-W314 HydrophobicContact CB-CZ2 4.45Å; V26-W314 HydrophobicContact CG1-CH2 4.08Å; V26-W314 HydrophobicContact CG1-CZ2 4.07Å; V26-W314 HydrophobicContact CG2-CH2 3.99Å; V26-W314 HydrophobicContact CG2-CZ2 4.34Å
27E97Very high95.1Very high33 Ų3316.5 Ų16.515%0.1548%0.082CC..EExtended strand (participates in β ladder)trans-72.5120.4-174.2-57.992.5146.500111I25 K31 F228 L296 W314I25-E27 PolarHBondContact O-N 3.01Å; E27-K31 CarbonylContact C-O 3.53Å; E27-K31 WeakPolarHBondContact CA-O 3.43Å; E27-F228 WeakPolarHBondContact O-CZ 3.36Å; E27-L296 HydrophobicContact CB-CD2 4.34Å; E27-W314 PolarHBondContact OE1-NE1 2.83Å; E27-W314 WeakPolarHBondContact OE2-CZ2 3.09Å; E27-W314 PolarHBondContact OE2-NE1 2.83Å
28F98.1Very high95.1Very high0 Ų016.5 Ų16.50%08%0.082CC..EExtended strand (participates in β ladder)trans-104.7115.8170.6-179.6-96.9000108.5V26 N30 K31 L33 H36 M115 V222 F228 G231 Y235V26-F28 PolarHBondContact O-N 3.37Å; F28-N30 PolarHBondContact O-N 3.07Å; F28-K31 CarbonylContact C-O 3.49Å; F28-K31 PolarHBondContact N-O 3.27Å; F28-K31 PolarHBondContact O-N 3.03Å; F28-L33 HydrophobicContact CB-CD1 3.94Å; F28-L33 HydrophobicContact CG-CD1 4.26Å; F28-H36 AromaticContact CD1-NE2 3.92Å; F28-H36 PolarHBondContact O-NE2 3.14Å; F28-M115 HydrophobicContact CD1-CE 3.89Å; F28-M115 HydrophobicContact CD1-CG 3.95Å; F28-M115 HydrophobicContact CD1-SD 4.14Å; F28-M115 HydrophobicContact CE1-CB 4.31Å; F28-M115 HydrophobicContact CE1-CE 3.83Å; F28-M115 HydrophobicContact CE1-CG 3.8Å; F28-M115 HydrophobicContact CE1-SD 4.36Å; F28-M115 HydrophobicContact CG-CG 4.46Å; F28-M115 HydrophobicContact CZ-CB 4.49Å; F28-M115 HydrophobicContact CZ-CG 4.17Å; F28-V222 HydrophobicContact CD2-CG1 4.25Å; F28-V222 HydrophobicContact CE2-CB 4.49Å; F28-V222 HydrophobicContact CE2-CG1 3.73Å; F28-V222 HydrophobicContact CZ-CG1 4.22Å; F28-F228 HydrophobicContact CB-CE2 4.22Å; F28-F228 HydrophobicContact CB-CZ 4.35Å; F28-F228 HydrophobicContact CD2-CD2 4.07Å; F28-F228 HydrophobicContact CD2-CE1 4.3Å; F28-F228 AromaticContact CD2-CE2 3.73Å; F28-F228 HydrophobicContact CD2-CE2 3.73Å; F28-F228 HydrophobicContact CD2-CG 4.5Å; F28-F228 AromaticContact CD2-CZ 3.86Å; F28-F228 HydrophobicContact CD2-CZ 3.86Å; F28-F228 HydrophobicContact CG-CE2 4.48Å; F28-G231 VanDerWaalsContact CZ-C 3.4Å; F28-G231 WeakPolarHBondContact CZ-O 3.23Å; F28-Y235 HydrophobicContact CE1-CD1 4.25Å; F28-Y235 HydrophobicContact CE1-CD2 4.13Å; F28-Y235 AromaticContact CE1-CG 3.77Å; F28-Y235 HydrophobicContact CE1-CG 3.77Å; F28-Y235 HydrophobicContact CZ-CG 4.46Å
29C97.9Very high95.2Very high7 Ų718.3 Ų18.35%0.0479%0.09CC..THydrogen-bonded Turntrans52.654.6-174.6-60.10000112.7K31 Y235 L259C29-K31 PolarHBondContact O-N 3.02Å; C29-Y235 HydrophobicContact CB-CD1 3.57Å; C29-Y235 HydrophobicContact CB-CE1 3.57Å; C29-Y235 WeakPolarHBondContact SG-CD1 3.4Å; C29-L259 HydrophobicContact CB-CD2 3.91Å
30N97.4Very high95.3Very high36 Ų3616.5 Ų16.519%0.1938%0.083CC..THydrogen-bonded Turntrans63.314.6177.3-63.5-16.8000116.2F28 L259 H261 V277 I278 G279F28-N30 PolarHBondContact O-N 3.07Å; N30-L259 HydrophobicContact CB-CD2 4.36Å; N30-H261 PolarHBondContact ND2-N 3.1Å; N30-V277 WeakPolarHBondContact OD1-CG1 3.48Å; N30-I278 PolarHBondContact ND2-O 3.49Å; N30-I278 PolarHBondContact OD1-O 3.44Å; N30-G279 VanDerWaalsContact OD1-CA 3.3Å; N30-G279 WeakPolarHBondContact OD1-CA 3.45Å
31K95.9Very high95.6Very high55 Ų5516 Ų1624%0.2398%0.08CC..EExtended strand (participates in β ladder)trans-136.7138.1176.6-176.9-170.6-60.5178.30109.8E27 F28 C29 L33 L35 E39E27-K31 CarbonylContact C-O 3.53Å; E27-K31 WeakPolarHBondContact CA-O 3.43Å; F28-K31 CarbonylContact C-O 3.49Å; F28-K31 PolarHBondContact N-O 3.27Å; F28-K31 PolarHBondContact O-N 3.03Å; C29-K31 PolarHBondContact O-N 3.02Å; K31-L33 PolarHBondContact O-N 3.21Å; K31-L35 HydrophobicContact CD-CB 4.14Å; K31-L35 HydrophobicContact CD-CD2 4.16Å; K31-L35 HydrophobicContact CD-CG 3.98Å; K31-L35 HydrophobicContact CG-CB 3.98Å; K31-L35 HydrophobicContact CG-CD2 3.79Å; K31-L35 HydrophobicContact CG-CG 4.03Å; K31-E39 WeakPolarHBondContact CE-OE2 3.32Å; K31-E39 IonicContact NZ-OE2 2.67Å; K31-E39 PolarHBondContact NZ-OE2 2.91Å
32P95.5Very high95.8Very high16 Ų1614.5 Ų14.510%0.1048%0.08CC..EExtended strand (participates in β ladder)trans-47.4133.8173-30.336.5000111.9L34 L35 H36 Y70P32-L34 VanDerWaalsContact C-N 3.29Å; P32-L34 PolarHBondContact O-N 3.47Å; P32-L35 HydrophobicContact CB-CB 4.04Å; P32-L35 WeakPolarHBondContact O-CB 3.31Å; P32-L35 PolarHBondContact O-N 2.81Å; P32-H36 PolarHBondContact O-CD2 3.25Å; P32-Y70 HydrophobicContact CG-CE2 4.48Å
33L95.5Very high95.9Very high3 Ų321.4 Ų21.42%0.01611%0.108CC..Hα-helixtrans-49.7-49.2-175-178.261.5000112.8K23 P24 V26 F28 K31 L35 H36 S112 M115 V222K23-L33 HydrophobicContact CG-CD2 4.32Å; P24-L33 PolarHBondContact O-N 3.46Å; V26-L33 PolarHBondContact O-N 2.98Å; V26-L33 VanDerWaalsContact O-N 3.09Å; F28-L33 HydrophobicContact CB-CD1 3.94Å; F28-L33 HydrophobicContact CG-CD1 4.26Å; K31-L33 PolarHBondContact O-N 3.21Å; L33-L35 VanDerWaalsContact C-N 3.26Å; L33-L35 PolarHBondContact O-N 3.37Å; L33-H36 PolarHBondContact O-N 3.17Å; L33-S112 WeakPolarHBondContact CD2-O 3.44Å; L33-M115 HydrophobicContact CD1-CG 3.67Å; L33-M115 HydrophobicContact CD1-SD 3.58Å; L33-M115 VanDerWaalsContact CD1-SD 3.58Å; L33-V222 HydrophobicContact CD1-CG2 3.49Å; L33-V222 VanDerWaalsContact CD1-CG2 3.49Å; L33-V222 HydrophobicContact CD2-CG2 3.84Å; L33-V222 HydrophobicContact CG-CG2 4.33Å
34L95.3Very high96.1Very high0 Ų022.5 Ų22.50%012%0.116CC..Hα-helixtrans-65.7-29.4-178.6-163.668.5000113.1I5 V7 P24 P32 H36 Q37 I38 L51 L67I5-L34 HydrophobicContact CB-CD1 4.22Å; I5-L34 HydrophobicContact CD1-CD1 3.71Å; I5-L34 HydrophobicContact CD1-CG 4.37Å; I5-L34 HydrophobicContact CG2-CD1 3.59Å; V7-L34 HydrophobicContact CG2-CD1 4.36Å; P24-L34 HydrophobicContact CB-CB 3.83Å; P24-L34 HydrophobicContact CB-CD1 4.37Å; P24-L34 HydrophobicContact CB-CD2 4.09Å; P24-L34 HydrophobicContact CB-CG 4.34Å; P24-L34 WeakPolarHBondContact O-CB 3.25Å; P24-L34 PolarHBondContact O-N 3.34Å; P32-L34 VanDerWaalsContact C-N 3.29Å; P32-L34 PolarHBondContact O-N 3.47Å; L34-H36 VanDerWaalsContact C-N 3.26Å; L34-H36 PolarHBondContact O-N 3.12Å; L34-Q37 PolarHBondContact O-N 2.81Å; L34-Q37 VanDerWaalsContact O-N 3.13Å; L34-I38 HydrophobicContact CD2-CD1 3.93Å; L34-I38 HydrophobicContact CG-CD1 3.81Å; L34-I38 HydrophobicContact CG-CG1 4.23Å; L34-I38 WeakPolarHBondContact O-CG1 3.48Å; L34-I38 PolarHBondContact O-N 3.18Å; L34-L51 HydrophobicContact CD1-CD2 4.44Å; L34-L51 HydrophobicContact CD2-CD1 3.77Å; L34-L51 HydrophobicContact CD2-CD2 3.8Å; L34-L51 HydrophobicContact CD2-CG 4.46Å; L34-L67 HydrophobicContact CD2-CD1 3.48Å; L34-L67 VanDerWaalsContact CD2-CD1 3.48Å; L34-L67 HydrophobicContact CD2-CD2 4.17Å; L34-L67 HydrophobicContact CD2-CG 4.49Å
35L95.5Very high96.2Very high4 Ų424.9 Ų24.92%0.02114%0.141CC..Hα-helixtrans-67.7-28.7-177.1-175.160.3000111.7K31 P32 L33 Q37 E39 Y70 I74K31-L35 HydrophobicContact CD-CB 4.14Å; K31-L35 HydrophobicContact CD-CD2 4.16Å; K31-L35 HydrophobicContact CD-CG 3.98Å; K31-L35 HydrophobicContact CG-CB 3.98Å; K31-L35 HydrophobicContact CG-CD2 3.79Å; K31-L35 HydrophobicContact CG-CG 4.03Å; P32-L35 HydrophobicContact CB-CB 4.04Å; P32-L35 WeakPolarHBondContact O-CB 3.31Å; P32-L35 PolarHBondContact O-N 2.81Å; L33-L35 VanDerWaalsContact C-N 3.26Å; L33-L35 PolarHBondContact O-N 3.37Å; L35-Q37 VanDerWaalsContact C-N 3.33Å; L35-Q37 PolarHBondContact O-N 3.3Å; L35-E39 HydrophobicContact CD1-CG 3.9Å; L35-E39 HydrophobicContact CG-CG 4.14Å; L35-E39 WeakPolarHBondContact O-CB 3.44Å; L35-E39 WeakPolarHBondContact O-CG 3.48Å; L35-E39 PolarHBondContact O-N 3.02Å; L35-Y70 HydrophobicContact CD1-CD1 4.24Å; L35-Y70 HydrophobicContact CD1-CG 4.22Å; L35-Y70 HydrophobicContact CD2-CD1 3.57Å; L35-Y70 HydrophobicContact CD2-CE1 3.51Å; L35-Y70 HydrophobicContact CD2-CG 4.13Å; L35-I74 HydrophobicContact CD1-CD1 3.27Å; L35-I74 HydrophobicContact CD1-CG1 3.98Å
36H96.6Very high96.4Very high11 Ų1124.4 Ų24.45%0.05114%0.139CC..Hα-helixtrans-59.2-45170.8-68.7-87.4000112F28 P32 L33 L34 A40 M115 F118 Y235F28-H36 AromaticContact CD1-NE2 3.92Å; F28-H36 PolarHBondContact O-NE2 3.14Å; P32-H36 PolarHBondContact O-CD2 3.25Å; L33-H36 PolarHBondContact O-N 3.17Å; L34-H36 VanDerWaalsContact C-N 3.26Å; L34-H36 PolarHBondContact O-N 3.12Å; H36-A40 WeakPolarHBondContact O-CB 3.39Å; H36-A40 PolarHBondContact O-N 2.89Å; H36-M115 HydrophobicContact CB-CE 3.71Å; H36-M115 HydrophobicContact CB-SD 3.95Å; H36-F118 HydrophobicContact CB-CE2 4.16Å; H36-Y235 AromaticContact CE1-CZ 3.64Å; H36-Y235 PolarHBondContact CE1-OH 2.85Å; H36-Y235 AromaticContact ND1-CZ 3.91Å
37Q97.3Very high96.3Very high0 Ų027.8 Ų27.80%016%0.162CC..Hα-helixtrans-68.8-47.1179.5-59.1-173.91.900111I5 L34 L35 E39 A40 L41 L110 N111 I114 F118I5-Q37 HydrophobicContact CD1-CB 4.26Å; L34-Q37 PolarHBondContact O-N 2.81Å; L34-Q37 VanDerWaalsContact O-N 3.13Å; L35-Q37 VanDerWaalsContact C-N 3.33Å; L35-Q37 PolarHBondContact O-N 3.3Å; Q37-E39 PolarHBondContact O-N 3.26Å; Q37-A40 PolarHBondContact O-N 2.96Å; Q37-L41 WeakPolarHBondContact O-CB 3.41Å; Q37-L41 VanDerWaalsContact O-CG 3.27Å; Q37-L41 WeakPolarHBondContact O-CG 3.27Å; Q37-L41 PolarHBondContact O-N 2.85Å; Q37-L110 HydrophobicContact CB-CD2 4.32Å; Q37-L110 HydrophobicContact CG-CD2 4.41Å; Q37-N111 PolarHBondContact NE2-O 3.16Å; Q37-I114 PolarHBondContact NE2-O 3.4Å; Q37-F118 HydrophobicContact CG-CE1 3.78Å; Q37-F118 HydrophobicContact CG-CZ 3.68Å
38I96.8Very high96.2Very high0 Ų026.9 Ų26.90%016%0.158CC..Hα-helixtrans-63.7-44.9-177.7-62.3171.6000111I5 L34 A40 L41 A42 V49 I74 I78I5-I38 HydrophobicContact CD1-CG1 4.05Å; L34-I38 HydrophobicContact CD2-CD1 3.93Å; L34-I38 HydrophobicContact CG-CD1 3.81Å; L34-I38 HydrophobicContact CG-CG1 4.23Å; L34-I38 WeakPolarHBondContact O-CG1 3.48Å; L34-I38 PolarHBondContact O-N 3.18Å; I38-A40 VanDerWaalsContact C-N 3.32Å; I38-A40 PolarHBondContact O-N 2.65Å; I38-L41 PolarHBondContact O-N 2.83Å; I38-A42 WeakPolarHBondContact O-CB 3.43Å; I38-A42 PolarHBondContact O-N 2.92Å; I38-V49 HydrophobicContact CG1-CG1 4.27Å; I38-V49 HydrophobicContact CG1-CG2 4.48Å; I38-V49 HydrophobicContact CG2-CG2 4.26Å; I38-I74 HydrophobicContact CB-CD1 4.37Å; I38-I74 HydrophobicContact CG2-CD1 3.61Å; I38-I74 HydrophobicContact CG2-CG2 4.09Å; I38-I78 HydrophobicContact CD1-CD1 4.01Å
39E95.8Very high96.2Very high45 Ų4526.9 Ų26.921%0.2116%0.158CC..Hα-helixtrans-63.6-38.6177-74.1179.3169.300111.8K31 L35 Q37 A42 K43 I74K31-E39 WeakPolarHBondContact CE-OE2 3.32Å; K31-E39 IonicContact NZ-OE2 2.67Å; K31-E39 PolarHBondContact NZ-OE2 2.91Å; L35-E39 HydrophobicContact CD1-CG 3.9Å; L35-E39 HydrophobicContact CG-CG 4.14Å; L35-E39 WeakPolarHBondContact O-CB 3.44Å; L35-E39 WeakPolarHBondContact O-CG 3.48Å; L35-E39 PolarHBondContact O-N 3.02Å; Q37-E39 PolarHBondContact O-N 3.26Å; E39-A42 PolarHBondContact O-N 3.38Å; E39-K43 WeakPolarHBondContact O-CG 3.4Å; E39-K43 PolarHBondContact O-N 2.91Å; E39-K43 VanDerWaalsContact O-N 3.12Å; E39-I74 HydrophobicContact CG-CG1 4.38Å
40A96.4Very high96.2Very high16 Ų1626.6 Ų26.613%0.13216%0.156CC..Hα-helixtrans-66.6-38.817600000112.2H36 Q37 I38 K43 F118 F120H36-A40 WeakPolarHBondContact O-CB 3.39Å; H36-A40 PolarHBondContact O-N 2.89Å; Q37-A40 PolarHBondContact O-N 2.96Å; I38-A40 VanDerWaalsContact C-N 3.32Å; I38-A40 PolarHBondContact O-N 2.65Å; A40-K43 PolarHBondContact O-N 3.4Å; A40-F118 HydrophobicContact CB-CB 3.74Å; A40-F118 HydrophobicContact CB-CD2 3.82Å; A40-F118 HydrophobicContact CB-CG 3.91Å; A40-F120 HydrophobicContact CB-CD2 4.09Å; A40-F120 HydrophobicContact CB-CE2 3.55Å
41L97.7Very high96.1Very high0 Ų024.9 Ų24.90%015%0.147CC..Hα-helixtrans-66-42.2174.2-71.8165.2000111.5A3 I5 Q37 I38 K43 V44 G45 V46 V49 F108 L110 F120A3-L41 HydrophobicContact CB-CD1 3.67Å; A3-L41 HydrophobicContact CB-CD2 4.07Å; A3-L41 HydrophobicContact CB-CG 4.45Å; I5-L41 HydrophobicContact CD1-CD1 4.2Å; Q37-L41 WeakPolarHBondContact O-CB 3.41Å; Q37-L41 VanDerWaalsContact O-CG 3.27Å; Q37-L41 WeakPolarHBondContact O-CG 3.27Å; Q37-L41 PolarHBondContact O-N 2.85Å; I38-L41 PolarHBondContact O-N 2.83Å; L41-K43 VanDerWaalsContact C-N 3.3Å; L41-K43 PolarHBondContact O-N 2.83Å; L41-V44 WeakPolarHBondContact O-CG2 3.33Å; L41-V44 PolarHBondContact O-N 3Å; L41-V44 VanDerWaalsContact O-N 3.14Å; L41-G45 PolarHBondContact O-N 3.21Å; L41-V46 HydrophobicContact CB-CB 3.96Å; L41-V46 HydrophobicContact CB-CG1 4.34Å; L41-V46 HydrophobicContact CB-CG2 3.97Å; L41-V46 HydrophobicContact CD2-CG2 3.98Å; L41-V46 WeakPolarHBondContact O-CB 3.44Å; L41-V46 WeakPolarHBondContact O-CG2 3.33Å; L41-V46 PolarHBondContact O-N 2.89Å; L41-V49 HydrophobicContact CD1-CG2 4.14Å; L41-F108 HydrophobicContact CD2-CB 4.06Å; L41-F108 HydrophobicContact CD2-CD2 3.74Å; L41-F108 HydrophobicContact CD2-CE2 4.31Å; L41-F108 HydrophobicContact CD2-CG 3.89Å; L41-L110 HydrophobicContact CD1-CD1 4.14Å; L41-L110 HydrophobicContact CD2-CD1 4.28Å; L41-F120 HydrophobicContact CB-CE2 4.35Å; L41-F120 HydrophobicContact CD2-CD1 4.29Å; L41-F120 HydrophobicContact CD2-CD2 3.92Å; L41-F120 HydrophobicContact CD2-CE1 4.03Å; L41-F120 HydrophobicContact CD2-CE2 3.59Å; L41-F120 HydrophobicContact CD2-CG 4.27Å; L41-F120 HydrophobicContact CD2-CZ 3.69Å; L41-F120 HydrophobicContact CG-CD2 4.25Å; L41-F120 HydrophobicContact CG-CE2 3.6Å; L41-F120 HydrophobicContact CG-CZ 3.9Å
42A96.2Very high96Very high26 Ų2622.2 Ų22.222%0.21514%0.135CC..Hα-helixtrans-59.3-40.417700000111.8I38 E39 V44 G45 I74 T76I38-A42 WeakPolarHBondContact O-CB 3.43Å; I38-A42 PolarHBondContact O-N 2.92Å; E39-A42 PolarHBondContact O-N 3.38Å; A42-V44 PolarHBondContact O-N 2.75Å; A42-V44 VanDerWaalsContact O-N 3.15Å; A42-G45 PolarHBondContact O-N 2.78Å; A42-I74 HydrophobicContact CB-CG2 3.57Å; A42-T76 VanDerWaalsContact CB-OG1 3.29Å; A42-T76 WeakPolarHBondContact CB-OG1 3.4Å
43K95.3Very high95.9Very high164 Ų16421.6 Ų21.671%0.71313%0.131SC*.Hα-helixtrans-59-24.9177.3-75173.7-176.6-179.40114E39 A40 L41E39-K43 WeakPolarHBondContact O-CG 3.4Å; E39-K43 PolarHBondContact O-N 2.91Å; E39-K43 VanDerWaalsContact O-N 3.12Å; A40-K43 PolarHBondContact O-N 3.4Å; L41-K43 VanDerWaalsContact C-N 3.3Å; L41-K43 PolarHBondContact O-N 2.83Å
44V96.5Very high95.3Very high40 Ų4021.7 Ų21.724%0.24213%0.132CC..THydrogen-bonded Turntrans-101.611177.1-610000113.5L41 A42 V46 F108 F120 K121 M124L41-V44 WeakPolarHBondContact O-CG2 3.33Å; L41-V44 PolarHBondContact O-N 3Å; L41-V44 VanDerWaalsContact O-N 3.14Å; A42-V44 PolarHBondContact O-N 2.75Å; A42-V44 VanDerWaalsContact O-N 3.15Å; V44-V46 HydrophobicContact CG2-CG2 4.26Å; V44-F108 HydrophobicContact CG2-CE2 4.46Å; V44-F120 HydrophobicContact CB-CB 4.37Å; V44-F120 HydrophobicContact CG1-CB 3.9Å; V44-F120 HydrophobicContact CG2-CB 3.74Å; V44-F120 HydrophobicContact CG2-CD2 4.25Å; V44-F120 HydrophobicContact CG2-CG 4.36Å; V44-K121 HydrophobicContact CG1-CB 4.19Å; V44-M124 HydrophobicContact CB-SD 4.11Å; V44-M124 HydrophobicContact CG2-SD 4.27Å
45G95.1Very high94.3Very high54 Ų5427.7 Ų27.756%0.55716%0.158SC*.THydrogen-bonded Turntrans86.920.7173.300000114.9L41 A42 S47L41-G45 PolarHBondContact O-N 3.21Å; A42-G45 PolarHBondContact O-N 2.78Å; G45-S47 PolarHBondContact O-N 3.43Å
46V96.1Very high93Very high2 Ų230.5 Ų30.51%0.01218%0.178CC..  trans-68117.2168.9174.90000109.2M1 A3 L41 V44 E48 V49 T76 F108M1-V46 HydrophobicContact CG-CG2 4.28Å; A3-V46 HydrophobicContact CB-CG1 3.97Å; L41-V46 HydrophobicContact CB-CB 3.96Å; L41-V46 HydrophobicContact CB-CG1 4.34Å; L41-V46 HydrophobicContact CB-CG2 3.97Å; L41-V46 HydrophobicContact CD2-CG2 3.98Å; L41-V46 WeakPolarHBondContact O-CB 3.44Å; L41-V46 WeakPolarHBondContact O-CG2 3.33Å; L41-V46 PolarHBondContact O-N 2.89Å; V44-V46 HydrophobicContact CG2-CG2 4.26Å; V46-E48 WeakPolarHBondContact CG1-O 3.28Å; V46-V49 HydrophobicContact CG1-CG2 4.08Å; V46-T76 WeakPolarHBondContact O-CG2 3.33Å; V46-T76 PolarHBondContact O-OG1 3.2Å; V46-F108 HydrophobicContact CG2-CD2 4.04Å; V46-F108 HydrophobicContact CG2-CE2 4.3Å
47S93.6Very high91.6Very high72 Ų7230.6 Ų30.650%0.50318%0.18SC..  trans-86.4-25.3-174.558.20000113.4M1 G45 K77M1-S47 PolarHBondContact O-N 3.29Å; M1-S47 VanDerWaalsContact O-N 3.15Å; M1-S47 PolarHBondContact O-OG 2.52Å; G45-S47 PolarHBondContact O-N 3.43Å; S47-K77 PolarHBondContact O-N 3.33Å; S47-K77 VanDerWaalsContact O-N 3.07Å
48E96.3Very high90Very high14 Ų1435.6 Ų35.67%0.06521%0.207CC..EExtended strand (participates in β ladder)trans-143.1132.5-179.1-176.1171.1-150.800110.8K2 A3 V46 I50 K77 T79K2-E48 WeakPolarHBondContact CA-O 3.38Å; K2-E48 HydrophobicContact CD-CB 4.37Å; K2-E48 WeakPolarHBondContact CE-OE2 3.36Å; K2-E48 HydrophobicContact CG-CB 4.3Å; K2-E48 IonicContact NZ-OE2 2.74Å; K2-E48 PolarHBondContact NZ-OE2 3.09Å; A3-E48 PolarHBondContact N-O 3.29Å; V46-E48 WeakPolarHBondContact CG1-O 3.28Å; E48-I50 HydrophobicContact CG-CG1 4.44Å; E48-K77 CarbonylContact C-O 3.55Å; E48-K77 WeakPolarHBondContact CA-O 3.49Å; E48-K77 HydrophobicContact CB-CB 4.36Å; E48-K77 HydrophobicContact CG-CB 4.26Å; E48-K77 HydrophobicContact CG-CD 4.24Å; E48-K77 HydrophobicContact CG-CG 4.35Å; E48-K77 WeakPolarHBondContact OE1-CD 3.25Å; E48-K77 WeakPolarHBondContact OE1-CE 3.47Å; E48-K77 IonicContact OE1-NZ 2.79Å; E48-K77 PolarHBondContact OE1-NZ 2.88Å; E48-T79 WeakPolarHBondContact OE1-CB 3.27Å; E48-T79 PolarHBondContact OE1-OG1 3.31Å
49V97.3Very high89.1Confident0 Ų038.4 Ų38.40%022%0.218CC..EExtended strand (participates in β ladder)trans-111.6122.3171.5177.10000108.6A3 I5 I38 L41 V46 L51 T76 K77 I78 T79A3-V49 HydrophobicContact CB-CG2 4.31Å; A3-V49 CarbonylContact O-C 3.55Å; A3-V49 WeakPolarHBondContact O-CA 3.29Å; I5-V49 HydrophobicContact CD1-CG1 3.6Å; I5-V49 HydrophobicContact CG1-CG1 3.86Å; I38-V49 HydrophobicContact CG1-CG1 4.27Å; I38-V49 HydrophobicContact CG1-CG2 4.48Å; I38-V49 HydrophobicContact CG2-CG2 4.26Å; L41-V49 HydrophobicContact CD1-CG2 4.14Å; V46-V49 HydrophobicContact CG1-CG2 4.08Å; V49-L51 HydrophobicContact CG1-CD2 3.74Å; V49-T76 HydrophobicContact CB-CG2 4.49Å; V49-T76 HydrophobicContact CG2-CG2 3.79Å; V49-K77 PolarHBondContact N-O 2.86Å; V49-I78 WeakPolarHBondContact O-CA 3.31Å; V49-T79 PolarHBondContact O-N 2.88Å
50I97Very high88.4Confident0 Ų037.7 Ų37.70%022%0.217CC..EExtended strand (participates in β ladder)trans-97123.5176.7-59.5154.4000107.8K2 A3 L4 I5 E48 T79 A96 L99 L100K2-I50 HydrophobicContact CD-CD1 4.34Å; A3-I50 PolarHBondContact O-N 3.11Å; L4-I50 CarbonylContact C-O 3.56Å; L4-I50 VanDerWaalsContact CA-O 3.23Å; L4-I50 WeakPolarHBondContact CA-O 3.45Å; L4-I50 HydrophobicContact CD1-CG2 4.32Å; I5-I50 PolarHBondContact N-O 2.84Å; E48-I50 HydrophobicContact CG-CG1 4.44Å; I50-T79 CarbonylContact C-O 3.5Å; I50-T79 VanDerWaalsContact CA-O 3.27Å; I50-T79 WeakPolarHBondContact CA-O 3.21Å; I50-A96 HydrophobicContact CG2-CB 4.2Å; I50-L99 HydrophobicContact CD1-CB 3.65Å; I50-L99 HydrophobicContact CG1-CB 4.27Å; I50-L99 HydrophobicContact CG1-CD1 4.49Å; I50-L99 HydrophobicContact CG2-CD1 4.09Å; I50-L100 HydrophobicContact CD1-CD2 3.58Å; I50-L100 HydrophobicContact CD1-CG 3.97Å
51L95.9Very high87.9Confident0 Ų041.9 Ų41.90%024%0.237CC..EExtended strand (participates in β ladder)trans-98.7114176.1-56.1-177.1000108.6I5 V7 L34 V49 V53 L67 I78 T79 F80 S81I5-L51 HydrophobicContact CB-CD2 3.86Å; I5-L51 HydrophobicContact CD1-CD2 4.14Å; I5-L51 HydrophobicContact CG1-CD2 4.26Å; V7-L51 HydrophobicContact CG2-CB 4.43Å; V7-L51 HydrophobicContact CG2-CD2 4.3Å; L34-L51 HydrophobicContact CD1-CD2 4.44Å; L34-L51 HydrophobicContact CD2-CD1 3.77Å; L34-L51 HydrophobicContact CD2-CD2 3.8Å; L34-L51 HydrophobicContact CD2-CG 4.46Å; V49-L51 HydrophobicContact CG1-CD2 3.74Å; L51-V53 HydrophobicContact CB-CG2 3.87Å; L51-V53 PolarHBondContact O-N 2.91Å; L51-L67 HydrophobicContact CD1-CD1 3.35Å; L51-I78 HydrophobicContact CD1-CG2 3.59Å; L51-I78 HydrophobicContact CG-CG2 4Å; L51-T79 PolarHBondContact N-O 3.05Å; L51-F80 HydrophobicContact CB-CD1 4.29Å; L51-F80 HydrophobicContact CB-CE1 4.4Å; L51-F80 HydrophobicContact CD1-CD1 4.42Å; L51-F80 HydrophobicContact CD1-CE1 3.76Å; L51-F80 HydrophobicContact CD1-CZ 3.83Å; L51-S81 PolarHBondContact O-N 3.45Å
52A95Very high87.5Confident0 Ų044.1 Ų44.10%025%0.249CC..EExtended strand (participates in β ladder)trans-78.597.1172.600000109.1L4 I5 L6 V7 G8 P92L4-A52 HydrophobicContact CD2-CB 4.05Å; L4-A52 HydrophobicContact CG-CB 4.42Å; I5-A52 PolarHBondContact O-N 3.15Å; L6-A52 HydrophobicContact CD2-CB 4.13Å; V7-A52 CarbonylContact C-O 3.45Å; V7-A52 VanDerWaalsContact C-O 3.29Å; V7-A52 VanDerWaalsContact CA-O 3.24Å; V7-A52 WeakPolarHBondContact CA-O 3.46Å; V7-A52 WeakPolarHBondContact CB-O 3.37Å; V7-A52 PolarHBondContact N-O 2.81Å; G8-A52 PolarHBondContact N-O 2.62Å; G8-A52 VanDerWaalsContact N-O 3.12Å; A52-P92 HydrophobicContact CB-CB 3.45Å; A52-P92 VanDerWaalsContact CB-CB 3.45Å; A52-P92 HydrophobicContact CB-CG 4.3Å
53V91.9Very high87.2Confident3 Ų343 Ų432%0.01824%0.24CC..EExtended strand (participates in β ladder)trans-112.3132.6-171.6-178.60000109.7V7 L51 L63 F80 S81 Y82 E83V7-V53 HydrophobicContact CB-CG2 4.11Å; V7-V53 HydrophobicContact CG1-CG2 4.07Å; L51-V53 HydrophobicContact CB-CG2 3.87Å; L51-V53 PolarHBondContact O-N 2.91Å; V53-L63 HydrophobicContact CG1-CD2 4.3Å; V53-L63 HydrophobicContact CG2-CD2 3.83Å; V53-F80 HydrophobicContact CG2-CD1 3.83Å; V53-F80 HydrophobicContact CG2-CE1 4.32Å; V53-S81 PolarHBondContact N-O 3.44Å; V53-Y82 HydrophobicContact CB-CD1 4.41Å; V53-Y82 CarbonylContact O-C 3.46Å; V53-Y82 VanDerWaalsContact O-CA 3.29Å; V53-Y82 WeakPolarHBondContact O-CA 3.34Å; V53-E83 PolarHBondContact O-N 2.98Å
54S84.5Confident86.9Confident5 Ų537.4 Ų37.44%0.03522%0.216CC..EExtended strand (participates in β ladder)trans-78.9127.9171.1-177.80000110.3C56 A57S54-C56 PolarHBondContact O-N 2.72Å; S54-C56 PolarHBondContact OG-N 2.94Å; S54-A57 WeakPolarHBondContact O-CB 3.34Å; S54-A57 PolarHBondContact O-N 3.5Å; S54-A57 VanDerWaalsContact O-N 3.09Å
55K74.4Confident86.6Confident125 Ų12542.4 Ų42.454%0.54323%0.234SC..THydrogen-bonded Turntrans-62.9-27171.1-67.6-167-179.6177.70112.2A57 Y82 E83 T84K55-A57 VanDerWaalsContact C-N 3.27Å; K55-Y82 HydrophobicContact CG-CD1 4.1Å; K55-Y82 HydrophobicContact CG-CG 4.27Å; K55-E83 PolarHBondContact N-O 3.17Å; K55-T84 HydrophobicContact CD-CG2 4.18Å
56C66.4Low86.4Confident64 Ų6442.3 Ų42.343%0.43222%0.22SC..THydrogen-bonded Turntrans-76.9-15.7177.3-580000112.2Y10 S54 D58 T84Y10-C56 VanDerWaalsContact CE1-O 3.22Å; Y10-C56 WeakPolarHBondContact CE1-O 3.3Å; Y10-C56 WeakPolarHBondContact OH-CB 3.39Å; S54-C56 PolarHBondContact O-N 2.72Å; S54-C56 PolarHBondContact OG-N 2.94Å; C56-D58 PolarHBondContact O-N 3.43Å; C56-T84 PolarHBondContact SG-O 2.94Å
57A67.6Low86.1Confident13 Ų1342.3 Ų42.311%0.10722%0.219CC..SBendtrans-72.3126175.900000110.2S54 K55 R59S54-A57 WeakPolarHBondContact O-CB 3.34Å; S54-A57 PolarHBondContact O-N 3.5Å; S54-A57 VanDerWaalsContact O-N 3.09Å; K55-A57 VanDerWaalsContact C-N 3.27Å; A57-R59 PolarHBondContact O-N 3.13Å
58D63.9Low85.8Confident104 Ų10443.9 Ų43.956%0.55622%0.217SC*.THydrogen-bonded Turntrans-52.8127.5175.3-68.6-32.7000110.3C56C56-D58 PolarHBondContact O-N 3.43Å
59R77.8Confident85.5Confident60 Ų6048.8 Ų48.823%0.22624%0.238CC..THydrogen-bonded Turntrans76.833.9168.8-54.2175.7-93.8-119.6-14.5118.1T18 L19 T20 P22 A57 D61 I62 L63T18-R59 PolarHBondContact O-NH2 3.14Å; L19-R59 PolarHBondContact O-NH1 3.4Å; L19-R59 PolarHBondContact O-NH2 2.59Å; T20-R59 WeakPolarHBondContact O-CD 3.47Å; T20-R59 PolarHBondContact O-NE 3.08Å; T20-R59 PolarHBondContact O-NH1 2.99Å; P22-R59 HydrophobicContact CG-CB 4.42Å; A57-R59 PolarHBondContact O-N 3.13Å; R59-D61 VanDerWaalsContact CA-OD1 3.25Å; R59-D61 WeakPolarHBondContact CA-OD1 3.29Å; R59-D61 PolarHBondContact O-N 3.49Å; R59-I62 HydrophobicContact CB-CB 4.19Å; R59-I62 HydrophobicContact CB-CD1 3.93Å; R59-I62 HydrophobicContact CB-CG1 4.28Å; R59-I62 HydrophobicContact CG-CD1 3.83Å; R59-I62 PolarHBondContact O-N 3.28Å; R59-L63 PolarHBondContact O-N 2.84Å; R59-L63 VanDerWaalsContact O-N 3.16Å
60S81.7Confident85Confident29 Ų2951.6 Ų51.620%0.20325%0.249CC..Hα-helixtrans-58.8-29.2169.954.60000113.3L63 E64S60-L63 WeakPolarHBondContact O-CB 3.49Å; S60-L63 PolarHBondContact O-N 2.9Å; S60-E64 WeakPolarHBondContact O-CB 3.42Å; S60-E64 PolarHBondContact O-N 2.98Å
61D86.3Confident84.6Confident104 Ų10454.1 Ų54.156%0.55626%0.261SS*.Hα-helixtrans-63.5-42.3173.665.7-46000112.6R59 E64 K65R59-D61 VanDerWaalsContact CA-OD1 3.25Å; R59-D61 WeakPolarHBondContact CA-OD1 3.29Å; R59-D61 PolarHBondContact O-N 3.49Å; D61-E64 PolarHBondContact O-N 3.26Å; D61-K65 VanDerWaalsContact O-CB 3.29Å; D61-K65 WeakPolarHBondContact O-CB 3.36Å; D61-K65 PolarHBondContact O-N 2.81Å
62I88.6Confident84Confident48 Ų4863.8 Ų63.825%0.24630%0.303CS..Hα-helixtrans-67-44.1175.7-64171.4000110Y21 I25 R59 E64 K65 E66Y21-I62 HydrophobicContact CD1-CG2 4.01Å; Y21-I62 HydrophobicContact CE1-CG2 4.27Å; I25-I62 HydrophobicContact CD1-CG2 3.72Å; R59-I62 HydrophobicContact CB-CB 4.19Å; R59-I62 HydrophobicContact CB-CD1 3.93Å; R59-I62 HydrophobicContact CB-CG1 4.28Å; R59-I62 HydrophobicContact CG-CD1 3.83Å; R59-I62 PolarHBondContact O-N 3.28Å; I62-E64 VanDerWaalsContact C-N 3.34Å; I62-E64 PolarHBondContact O-N 3.43Å; I62-K65 PolarHBondContact O-N 3.18Å; I62-E66 HydrophobicContact CG2-CG 4.2Å; I62-E66 WeakPolarHBondContact O-CB 3.21Å; I62-E66 WeakPolarHBondContact O-CG 3.34Å; I62-E66 PolarHBondContact O-N 3.14Å
63L89.3Confident83.6Confident3 Ų371.2 Ų71.22%0.01634%0.335CS..Hα-helixtrans-54.2-50.9175.3174.768.1000111.1V7 P22 P24 I25 V53 R59 S60 E66 L67 F80V7-L63 HydrophobicContact CG1-CD2 3.62Å; P22-L63 HydrophobicContact CG-CB 3.94Å; P24-L63 HydrophobicContact CB-CD1 4.01Å; P24-L63 HydrophobicContact CG-CD1 4.18Å; I25-L63 HydrophobicContact CG2-CD1 3.54Å; V53-L63 HydrophobicContact CG1-CD2 4.3Å; V53-L63 HydrophobicContact CG2-CD2 3.83Å; R59-L63 PolarHBondContact O-N 2.84Å; R59-L63 VanDerWaalsContact O-N 3.16Å; S60-L63 WeakPolarHBondContact O-CB 3.49Å; S60-L63 PolarHBondContact O-N 2.9Å; L63-E66 PolarHBondContact O-N 3.15Å; L63-L67 HydrophobicContact CD1-CD1 3.48Å; L63-L67 VanDerWaalsContact CD1-CD1 3.48Å; L63-L67 HydrophobicContact CD1-CG 4.12Å; L63-L67 HydrophobicContact CG-CD1 3.94Å; L63-L67 WeakPolarHBondContact O-CB 3.48Å; L63-L67 VanDerWaalsContact O-CG 3.3Å; L63-L67 WeakPolarHBondContact O-CG 3.47Å; L63-L67 PolarHBondContact O-N 3.16Å; L63-F80 HydrophobicContact CD2-CE1 4.15Å; L63-F80 HydrophobicContact CG-CE1 4.14Å
64E89.8Confident83.5Confident46 Ų4672.6 Ų72.622%0.21534%0.342CS..Hα-helixtrans-63.2-47.6-179.5-178177.8168.100112.2S60 D61 I62 E66 L67 K68 F80 Y82S60-E64 WeakPolarHBondContact O-CB 3.42Å; S60-E64 PolarHBondContact O-N 2.98Å; D61-E64 PolarHBondContact O-N 3.26Å; I62-E64 VanDerWaalsContact C-N 3.34Å; I62-E64 PolarHBondContact O-N 3.43Å; E64-E66 VanDerWaalsContact C-N 3.32Å; E64-E66 PolarHBondContact O-N 3.17Å; E64-L67 PolarHBondContact O-N 2.88Å; E64-K68 HydrophobicContact CG-CD 3.99Å; E64-K68 HydrophobicContact CG-CG 4.42Å; E64-K68 WeakPolarHBondContact O-CB 3.33Å; E64-K68 WeakPolarHBondContact O-CG 3.35Å; E64-K68 PolarHBondContact O-N 2.94Å; E64-K68 VanDerWaalsContact OE1-CE 3.3Å; E64-K68 WeakPolarHBondContact OE1-CE 3.16Å; E64-K68 IonicContact OE1-NZ 2.85Å; E64-K68 PolarHBondContact OE1-NZ 2.84Å; E64-F80 VanDerWaalsContact CA-CZ 3.49Å; E64-F80 HydrophobicContact CB-CE1 3.96Å; E64-F80 HydrophobicContact CB-CE2 4.15Å; E64-F80 HydrophobicContact CB-CZ 3.79Å; E64-F80 HydrophobicContact CG-CD2 4.1Å; E64-F80 HydrophobicContact CG-CE1 4.39Å; E64-F80 HydrophobicContact CG-CE2 3.71Å; E64-F80 HydrophobicContact CG-CZ 3.89Å; E64-Y82 PolarHBondContact OE2-OH 3.38Å
65K90.5Very high83.6Confident144 Ų14475.5 Ų75.563%0.62637%0.373SS*.Hα-helixtrans-60-41.4178.9-178.1-179.5178.7-178.70112.3D61 I62D61-K65 VanDerWaalsContact O-CB 3.29Å; D61-K65 WeakPolarHBondContact O-CB 3.36Å; D61-K65 PolarHBondContact O-N 2.81Å; I62-K65 PolarHBondContact O-N 3.18Å
66E90Very high84.5Confident53 Ų5369.9 Ų69.925%0.24835%0.349CS..Hα-helixtrans-71-44.9179.6-70.7-51.4127.900111.8I25 I62 L63 E64 K69 Y70I25-E66 HydrophobicContact CD1-CB 4.29Å; I25-E66 HydrophobicContact CD1-CG 3.96Å; I25-E66 HydrophobicContact CG2-CB 4.4Å; I62-E66 HydrophobicContact CG2-CG 4.2Å; I62-E66 WeakPolarHBondContact O-CB 3.21Å; I62-E66 WeakPolarHBondContact O-CG 3.34Å; I62-E66 PolarHBondContact O-N 3.14Å; L63-E66 PolarHBondContact O-N 3.15Å; E64-E66 VanDerWaalsContact C-N 3.32Å; E64-E66 PolarHBondContact O-N 3.17Å; E66-K69 WeakPolarHBondContact O-CB 3.24Å; E66-K69 PolarHBondContact O-N 2.93Å; E66-K69 IonicContact OE1-NZ 3.75Å; E66-K69 PolarHBondContact OE1-NZ 3.34Å; E66-K69 IonicContact OE2-NZ 3.18Å; E66-K69 PolarHBondContact OE2-NZ 3.42Å; E66-Y70 VanDerWaalsContact O-CD2 3.24Å; E66-Y70 WeakPolarHBondContact O-CD2 3.5Å; E66-Y70 WeakPolarHBondContact O-CE2 3.4Å
67L89.9Confident85.8Confident1 Ų172.2 Ų72.21%0.00535%0.352CS..Hα-helixtrans-71.3-33.9-176.3-68.3176.9000113.7I25 L34 L51 L63 E64 K69 Y70 E71 I78 F80I25-L67 HydrophobicContact CG2-CD2 4.4Å; I25-L67 HydrophobicContact CG2-CG 4.4Å; L34-L67 HydrophobicContact CD2-CD1 3.48Å; L34-L67 VanDerWaalsContact CD2-CD1 3.48Å; L34-L67 HydrophobicContact CD2-CD2 4.17Å; L34-L67 HydrophobicContact CD2-CG 4.49Å; L51-L67 HydrophobicContact CD1-CD1 3.35Å; L63-L67 HydrophobicContact CD1-CD1 3.48Å; L63-L67 VanDerWaalsContact CD1-CD1 3.48Å; L63-L67 HydrophobicContact CD1-CG 4.12Å; L63-L67 HydrophobicContact CG-CD1 3.94Å; L63-L67 WeakPolarHBondContact O-CB 3.48Å; L63-L67 VanDerWaalsContact O-CG 3.3Å; L63-L67 WeakPolarHBondContact O-CG 3.47Å; L63-L67 PolarHBondContact O-N 3.16Å; E64-L67 PolarHBondContact O-N 2.88Å; L67-K69 PolarHBondContact O-N 2.86Å; L67-K69 VanDerWaalsContact O-N 3.14Å; L67-Y70 PolarHBondContact O-N 2.92Å; L67-E71 PolarHBondContact O-N 3.26Å; L67-I78 HydrophobicContact CB-CD1 4.2Å; L67-F80 HydrophobicContact CB-CZ 4.47Å; L67-F80 HydrophobicContact CD1-CZ 4.24Å
68K87.5Confident87.1Confident105 Ų10572 Ų7246%0.45735%0.349SS..Hα-helixtrans-57.3-28.1175.1-81.9-178.6168.2173.10113.4E64 Y70E64-K68 HydrophobicContact CG-CD 3.99Å; E64-K68 HydrophobicContact CG-CG 4.42Å; E64-K68 WeakPolarHBondContact O-CB 3.33Å; E64-K68 WeakPolarHBondContact O-CG 3.35Å; E64-K68 PolarHBondContact O-N 2.94Å; E64-K68 VanDerWaalsContact OE1-CE 3.3Å; E64-K68 WeakPolarHBondContact OE1-CE 3.16Å; E64-K68 IonicContact OE1-NZ 2.85Å; E64-K68 PolarHBondContact OE1-NZ 2.84Å; K68-Y70 PolarHBondContact O-N 3.27Å
69K89.8Confident88.6Confident118 Ų11868.1 Ų68.151%0.51333%0.329SS..Hα-helixtrans-64.2-24.6175.5-58.9174.1-1671690112.4E66 L67E66-K69 WeakPolarHBondContact O-CB 3.24Å; E66-K69 PolarHBondContact O-N 2.93Å; E66-K69 IonicContact OE1-NZ 3.75Å; E66-K69 PolarHBondContact OE1-NZ 3.34Å; E66-K69 IonicContact OE2-NZ 3.18Å; E66-K69 PolarHBondContact OE2-NZ 3.42Å; L67-K69 PolarHBondContact O-N 2.86Å; L67-K69 VanDerWaalsContact O-N 3.14Å
70Y88.2Confident89.3Confident58 Ų5866.4 Ų66.423%0.22732%0.324CS..Hα-helixtrans-96.6-20.5-175.7-62.1-83.2000113.8P32 L35 E66 L67 K68 K72 K73 I74P32-Y70 HydrophobicContact CG-CE2 4.48Å; L35-Y70 HydrophobicContact CD1-CD1 4.24Å; L35-Y70 HydrophobicContact CD1-CG 4.22Å; L35-Y70 HydrophobicContact CD2-CD1 3.57Å; L35-Y70 HydrophobicContact CD2-CE1 3.51Å; L35-Y70 HydrophobicContact CD2-CG 4.13Å; E66-Y70 VanDerWaalsContact O-CD2 3.24Å; E66-Y70 WeakPolarHBondContact O-CD2 3.5Å; E66-Y70 WeakPolarHBondContact O-CE2 3.4Å; L67-Y70 PolarHBondContact O-N 2.92Å; K68-Y70 PolarHBondContact O-N 3.27Å; Y70-K72 VanDerWaalsContact C-N 3.3Å; Y70-K72 PolarHBondContact O-N 3.12Å; Y70-K73 WeakPolarHBondContact O-CA 3.27Å; Y70-K73 WeakPolarHBondContact O-CB 3.48Å; Y70-K73 PolarHBondContact O-N 3.44Å; Y70-I74 VanDerWaalsContact O-CG1 3.3Å; Y70-I74 WeakPolarHBondContact O-CG1 3.42Å; Y70-I74 PolarHBondContact O-N 2.9Å
71E86.8Confident89.9Confident53 Ų5365.5 Ų65.525%0.24832%0.317CS..Hα-helixtrans-49-50.6-178.3-71.9-172.2112.300112.4L67 K73 I74 G75 I78L67-E71 PolarHBondContact O-N 3.26Å; E71-K73 VanDerWaalsContact C-N 3.31Å; E71-K73 PolarHBondContact O-N 2.87Å; E71-I74 PolarHBondContact O-N 3.37Å; E71-G75 PolarHBondContact O-N 3.28Å; E71-I78 HydrophobicContact CG-CB 3.89Å; E71-I78 HydrophobicContact CG-CD1 3.79Å; E71-I78 HydrophobicContact CG-CG1 3.82Å; E71-I78 WeakPolarHBondContact OE1-CA 3.29Å; E71-I78 PolarHBondContact OE1-N 3.45Å
72K84Confident90.2Very high204 Ų20464.3 Ų64.389%0.88731%0.305SS*.Hα-helixtrans-65-33.8179.8-172.2176.5-179.9-179.70112.7Y70Y70-K72 VanDerWaalsContact C-N 3.3Å; Y70-K72 PolarHBondContact O-N 3.12Å
73K87.5Confident90.2Very high156 Ų15662.3 Ų62.368%0.67830%0.295SS*.Hα-helixtrans-74.7-39.4-179.7-175.8-173.9175-168.10111.5Y70 E71Y70-K73 WeakPolarHBondContact O-CA 3.27Å; Y70-K73 WeakPolarHBondContact O-CB 3.48Å; Y70-K73 PolarHBondContact O-N 3.44Å; E71-K73 VanDerWaalsContact C-N 3.31Å; E71-K73 PolarHBondContact O-N 2.87Å
74I88.5Confident90Very high31 Ų3166.9 Ų66.916%0.15932%0.323CS..Hα-helixtrans-79.4-33.8-177.5-58.7168.5000110.9L35 I38 E39 A42 Y70 E71 T76L35-I74 HydrophobicContact CD1-CD1 3.27Å; L35-I74 HydrophobicContact CD1-CG1 3.98Å; I38-I74 HydrophobicContact CB-CD1 4.37Å; I38-I74 HydrophobicContact CG2-CD1 3.61Å; I38-I74 HydrophobicContact CG2-CG2 4.09Å; E39-I74 HydrophobicContact CG-CG1 4.38Å; A42-I74 HydrophobicContact CB-CG2 3.57Å; Y70-I74 VanDerWaalsContact O-CG1 3.3Å; Y70-I74 WeakPolarHBondContact O-CG1 3.42Å; Y70-I74 PolarHBondContact O-N 2.9Å; E71-I74 PolarHBondContact O-N 3.37Å; I74-T76 VanDerWaalsContact C-N 3.33Å
75G87.8Confident89.8Confident67 Ų6770 Ų7069%0.69134%0.338SS*.THydrogen-bonded Turntrans78.618-172.800000113.5E71E71-G75 PolarHBondContact O-N 3.28Å
76T91.9Very high89.6Confident6 Ų667 Ų674%0.03734%0.34CS..  trans-121.6131.9177.6-62.50000109.1A42 V46 V49 I74A42-T76 VanDerWaalsContact CB-OG1 3.29Å; A42-T76 WeakPolarHBondContact CB-OG1 3.4Å; V46-T76 WeakPolarHBondContact O-CG2 3.33Å; V46-T76 PolarHBondContact O-OG1 3.2Å; V49-T76 HydrophobicContact CB-CG2 4.49Å; V49-T76 HydrophobicContact CG2-CG2 3.79Å; I74-T76 VanDerWaalsContact C-N 3.33Å
77K94.7Very high89.6Confident113 Ų11365 Ų6549%0.49133%0.331SS..EExtended strand (participates in β ladder)trans-70.8136.3177.4-177.5-175.7173.3-148.60110.2S47 E48 V49 T79S47-K77 PolarHBondContact O-N 3.33Å; S47-K77 VanDerWaalsContact O-N 3.07Å; E48-K77 CarbonylContact C-O 3.55Å; E48-K77 WeakPolarHBondContact CA-O 3.49Å; E48-K77 HydrophobicContact CB-CB 4.36Å; E48-K77 HydrophobicContact CG-CB 4.26Å; E48-K77 HydrophobicContact CG-CD 4.24Å; E48-K77 HydrophobicContact CG-CG 4.35Å; E48-K77 WeakPolarHBondContact OE1-CD 3.25Å; E48-K77 WeakPolarHBondContact OE1-CE 3.47Å; E48-K77 IonicContact OE1-NZ 2.79Å; E48-K77 PolarHBondContact OE1-NZ 2.88Å; V49-K77 PolarHBondContact N-O 2.86Å; K77-T79 VanDerWaalsContact CE-OG1 3.3Å; K77-T79 WeakPolarHBondContact CE-OG1 3.35Å; K77-T79 PolarHBondContact NZ-OG1 2.88Å
78I95.2Very high89.7Confident8 Ų867.1 Ų67.14%0.04135%0.352CS..EExtended strand (participates in β ladder)trans-112.7113.3176.1-60.3173.8000108.7I38 V49 L51 L67 E71 F80I38-I78 HydrophobicContact CD1-CD1 4.01Å; V49-I78 WeakPolarHBondContact O-CA 3.31Å; L51-I78 HydrophobicContact CD1-CG2 3.59Å; L51-I78 HydrophobicContact CG-CG2 4Å; L67-I78 HydrophobicContact CB-CD1 4.2Å; E71-I78 HydrophobicContact CG-CB 3.89Å; E71-I78 HydrophobicContact CG-CD1 3.79Å; E71-I78 HydrophobicContact CG-CG1 3.82Å; E71-I78 WeakPolarHBondContact OE1-CA 3.29Å; E71-I78 PolarHBondContact OE1-N 3.45Å; I78-F80 HydrophobicContact CG2-CE2 3.76Å; I78-F80 HydrophobicContact CG2-CZ 4.02Å
79T94.7Very high90Very high24 Ų2463.8 Ų63.815%0.14734%0.341CS..EExtended strand (participates in β ladder)trans-110.1138.3179.5-64.20000109.6E48 V49 I50 L51 K77 L99E48-T79 WeakPolarHBondContact OE1-CB 3.27Å; E48-T79 PolarHBondContact OE1-OG1 3.31Å; V49-T79 PolarHBondContact O-N 2.88Å; I50-T79 CarbonylContact C-O 3.5Å; I50-T79 VanDerWaalsContact CA-O 3.27Å; I50-T79 WeakPolarHBondContact CA-O 3.21Å; L51-T79 PolarHBondContact N-O 3.05Å; K77-T79 VanDerWaalsContact CE-OG1 3.3Å; K77-T79 WeakPolarHBondContact CE-OG1 3.35Å; K77-T79 PolarHBondContact NZ-OG1 2.88Å; T79-L99 HydrophobicContact CG2-CD1 3.83Å; T79-L99 HydrophobicContact CG2-CD2 4.22Å
80F93.3Very high90.3Very high24 Ų2458.1 Ų58.111%0.10532%0.316CS..EExtended strand (participates in β ladder)trans-100123.5178.7-67.9-99.7000109.7L51 V53 L63 E64 L67 I78 Y82L51-F80 HydrophobicContact CB-CD1 4.29Å; L51-F80 HydrophobicContact CB-CE1 4.4Å; L51-F80 HydrophobicContact CD1-CD1 4.42Å; L51-F80 HydrophobicContact CD1-CE1 3.76Å; L51-F80 HydrophobicContact CD1-CZ 3.83Å; V53-F80 HydrophobicContact CG2-CD1 3.83Å; V53-F80 HydrophobicContact CG2-CE1 4.32Å; L63-F80 HydrophobicContact CD2-CE1 4.15Å; L63-F80 HydrophobicContact CG-CE1 4.14Å; E64-F80 VanDerWaalsContact CA-CZ 3.49Å; E64-F80 HydrophobicContact CB-CE1 3.96Å; E64-F80 HydrophobicContact CB-CE2 4.15Å; E64-F80 HydrophobicContact CB-CZ 3.79Å; E64-F80 HydrophobicContact CG-CD2 4.1Å; E64-F80 HydrophobicContact CG-CE1 4.39Å; E64-F80 HydrophobicContact CG-CE2 3.71Å; E64-F80 HydrophobicContact CG-CZ 3.89Å; L67-F80 HydrophobicContact CB-CZ 4.47Å; L67-F80 HydrophobicContact CD1-CZ 4.24Å; I78-F80 HydrophobicContact CG2-CE2 3.76Å; I78-F80 HydrophobicContact CG2-CZ 4.02Å; F80-Y82 HydrophobicContact CB-CD2 4.31Å; F80-Y82 HydrophobicContact CB-CE1 4.18Å; F80-Y82 HydrophobicContact CB-CE2 3.6Å
81S94.2Very high90.6Very high10 Ų1055.4 Ų55.47%0.0731%0.305CS..EExtended strand (participates in β ladder)trans-105113.4169.7-175.90000108L51 V53L51-S81 PolarHBondContact O-N 3.45Å; V53-S81 PolarHBondContact N-O 3.44Å
82Y91.7Very high91Very high78 Ų7852.9 Ų52.931%0.30629%0.294SS..EExtended strand (participates in β ladder)trans-98.2120.6-170.9-63.6-83.2000112.2V53 K55 E64 F80V53-Y82 HydrophobicContact CB-CD1 4.41Å; V53-Y82 CarbonylContact O-C 3.46Å; V53-Y82 VanDerWaalsContact O-CA 3.29Å; V53-Y82 WeakPolarHBondContact O-CA 3.34Å; K55-Y82 HydrophobicContact CG-CD1 4.1Å; K55-Y82 HydrophobicContact CG-CG 4.27Å; E64-Y82 PolarHBondContact OE2-OH 3.38Å; F80-Y82 HydrophobicContact CB-CD2 4.31Å; F80-Y82 HydrophobicContact CB-CE1 4.18Å; F80-Y82 HydrophobicContact CB-CE2 3.6Å
83E89.2Confident91.7Very high7 Ų743.2 Ų43.23%0.03325%0.252CS..EExtended strand (participates in β ladder)trans-86.9130.8171.6-57.6164.7-13500110.2V53 K55 E85 M87 P92 L95V53-E83 PolarHBondContact O-N 2.98Å; K55-E83 PolarHBondContact N-O 3.17Å; E83-E85 WeakPolarHBondContact CB-O 3.49Å; E83-M87 HydrophobicContact CB-CG 4.11Å; E83-M87 HydrophobicContact CG-CB 4.24Å; E83-M87 HydrophobicContact CG-CG 3.92Å; E83-M87 WeakPolarHBondContact OE2-CB 3.47Å; E83-M87 PolarHBondContact OE2-N 3.05Å; E83-P92 WeakPolarHBondContact OE1-CB 3.37Å; E83-P92 WeakPolarHBondContact OE1-CG 3.22Å; E83-L95 HydrophobicContact CB-CD2 4.26Å; E83-L95 HydrophobicContact CG-CD2 3.66Å
84T85.1Confident92.1Very high98 Ų9836.3 Ų36.360%0.60122%0.224SC*.SBendtrans-84.6-17.7175470000113.3K55 C56K55-T84 HydrophobicContact CD-CG2 4.18Å; C56-T84 PolarHBondContact SG-O 2.94Å
85E86.3Confident92.4Very high113 Ų11338 Ų3853%0.52823%0.233SC..SBendtrans-140.8170.6176.663.2-176.8164.100109.5E83 M87E83-E85 WeakPolarHBondContact CB-O 3.49Å; E85-M87 HydrophobicContact CG-SD 3.88Å; E85-M87 PolarHBondContact O-N 2.88Å; E85-M87 VanDerWaalsContact O-N 3.13Å
86A85.4Confident92.8Very high81 Ų8134.9 Ų34.967%0.66920%0.201SC*.  trans-73.2105.9-179.700000110.9G88 P193A86-G88 VanDerWaalsContact C-N 3.35Å; A86-G88 PolarHBondContact O-N 2.76Å; A86-P193 WeakPolarHBondContact O-CG 3.34Å
87M90.4Very high93Very high11 Ų1138.2 Ų38.25%0.05422%0.215CC..  trans-89.14.5-174.2-65.2-65.9-71.300114.5E83 E85 G91 P92 L191 P193 T194E83-M87 HydrophobicContact CB-CG 4.11Å; E83-M87 HydrophobicContact CG-CB 4.24Å; E83-M87 HydrophobicContact CG-CG 3.92Å; E83-M87 WeakPolarHBondContact OE2-CB 3.47Å; E83-M87 PolarHBondContact OE2-N 3.05Å; E85-M87 HydrophobicContact CG-SD 3.88Å; E85-M87 PolarHBondContact O-N 2.88Å; E85-M87 VanDerWaalsContact O-N 3.13Å; M87-G91 VanDerWaalsContact O-CA 3.28Å; M87-G91 WeakPolarHBondContact O-CA 3.3Å; M87-G91 PolarHBondContact O-N 3.21Å; M87-P92 HydrophobicContact CB-CG 4.19Å; M87-L191 HydrophobicContact CE-CD1 4.3Å; M87-P193 WeakPolarHBondContact O-CA 3.32Å; M87-P193 HydrophobicContact SD-CG 4.49Å; M87-T194 PolarHBondContact O-N 2.94Å
88G91.9Very high93Very high44 Ų4439.8 Ų39.845%0.45423%0.228SC..BIsolated β-bridgetrans74.7-151.8-175.400000112.4A86 P92 T194A86-G88 VanDerWaalsContact C-N 3.35Å; A86-G88 PolarHBondContact O-N 2.76Å; G88-P92 WeakPolarHBondContact O-CD 3.23Å; G88-P92 WeakPolarHBondContact O-CG 3.29Å; G88-T194 CarbonylContact C-O 3.48Å
89T93.4Very high93Very high35 Ų3542 Ų4222%0.21524%0.24CC..THydrogen-bonded Turntrans-102.1-20-175.851.40000113.2L6 T194 S195 I196 E197L6-T89 HydrophobicContact CD1-CG2 4.4Å; T89-T194 PolarHBondContact N-O 2.83Å; T89-S195 WeakPolarHBondContact OG1-CA 3.48Å; T89-I196 PolarHBondContact OG1-N 3.14Å; T89-E197 PolarHBondContact OG1-OE2 2.99Å
90A96Very high93.1Very high0 Ų041 Ų410%023%0.234CC..THydrogen-bonded Turntrans-100.1-38.2173.800000112.5P92 I93 A94 I189 T194 I196 I200A90-P92 VanDerWaalsContact C-N 3.26Å; A90-P92 VanDerWaalsContact O-N 3.13Å; A90-I93 WeakPolarHBondContact O-CA 3.4Å; A90-I93 WeakPolarHBondContact O-CB 3.47Å; A90-I93 PolarHBondContact O-N 3.25Å; A90-A94 PolarHBondContact O-N 3.14Å; A90-I189 HydrophobicContact CB-CD1 4.09Å; A90-I189 HydrophobicContact CB-CG1 4.26Å; A90-I189 HydrophobicContact CB-CG2 3.8Å; A90-I189 WeakPolarHBondContact O-CG2 3.35Å; A90-T194 HydrophobicContact CB-CG2 3.71Å; A90-T194 PolarHBondContact N-O 3.32Å; A90-I196 HydrophobicContact CB-CB 3.82Å; A90-I196 HydrophobicContact CB-CG1 4.37Å; A90-I200 HydrophobicContact CB-CG1 4.07Å
91G95.2Very high93Very high0 Ų043 Ų430%025%0.245CC..Hα-helixtrans-52.7-34.8-177.900000114.8M87 I93 A94 L95 T194M87-G91 VanDerWaalsContact O-CA 3.28Å; M87-G91 WeakPolarHBondContact O-CA 3.3Å; M87-G91 PolarHBondContact O-N 3.21Å; G91-I93 PolarHBondContact O-N 2.91Å; G91-A94 PolarHBondContact O-N 2.78Å; G91-L95 WeakPolarHBondContact O-CB 3.41Å; G91-L95 PolarHBondContact O-N 3.35Å; G91-T194 PolarHBondContact N-O 2.67Å
92P95.4Very high92.8Very high1 Ų147.3 Ų47.31%0.00627%0.271CS..Hα-helixtrans-65.3-25.6174.9-20.933.5000114.2L6 A52 E83 M87 G88 A90 A96L6-P92 HydrophobicContact CD2-CB 3.91Å; L6-P92 HydrophobicContact CD2-CG 3.87Å; A52-P92 HydrophobicContact CB-CB 3.45Å; A52-P92 VanDerWaalsContact CB-CB 3.45Å; A52-P92 HydrophobicContact CB-CG 4.3Å; E83-P92 WeakPolarHBondContact OE1-CB 3.37Å; E83-P92 WeakPolarHBondContact OE1-CG 3.22Å; M87-P92 HydrophobicContact CB-CG 4.19Å; G88-P92 WeakPolarHBondContact O-CD 3.23Å; G88-P92 WeakPolarHBondContact O-CG 3.29Å; A90-P92 VanDerWaalsContact C-N 3.26Å; A90-P92 VanDerWaalsContact O-N 3.13Å; P92-A96 VanDerWaalsContact O-CB 3.29Å; P92-A96 WeakPolarHBondContact O-CB 3.4Å; P92-A96 PolarHBondContact O-N 2.92Å
93I97.2Very high92.7Very high0 Ų047 Ų470%027%0.274CS..Hα-helixtrans-69.5-45.9173.9-53.6172.2000109.8L4 A90 G91 A96 K97 L100 F107 V109 L181 I186 I189 I196L4-I93 HydrophobicContact CD2-CG1 4.4Å; A90-I93 WeakPolarHBondContact O-CA 3.4Å; A90-I93 WeakPolarHBondContact O-CB 3.47Å; A90-I93 PolarHBondContact O-N 3.25Å; G91-I93 PolarHBondContact O-N 2.91Å; I93-A96 PolarHBondContact O-N 3.47Å; I93-K97 PolarHBondContact O-N 3.35Å; I93-L100 HydrophobicContact CG2-CD1 3.87Å; I93-F107 HydrophobicContact CG2-CE2 3.91Å; I93-F107 HydrophobicContact CG2-CZ 3.85Å; I93-V109 HydrophobicContact CD1-CG1 4.2Å; I93-V109 HydrophobicContact CD1-CG2 4.05Å; I93-V109 HydrophobicContact CG1-CG2 4.36Å; I93-L181 HydrophobicContact CD1-CD1 4.33Å; I93-I186 HydrophobicContact CG2-CG1 4.06Å; I93-I189 HydrophobicContact CB-CD1 3.78Å; I93-I189 HydrophobicContact CD1-CD1 4.02Å; I93-I189 HydrophobicContact CG1-CD1 4.48Å; I93-I189 HydrophobicContact CG2-CD1 3.85Å; I93-I196 HydrophobicContact CD1-CD1 3.8Å
94A96.3Very high92.8Very high12 Ų1253.7 Ų53.710%0.09931%0.311CS..Hα-helixtrans-64-41175.200000112A90 G91 A96 K97 I189 L191A90-A94 PolarHBondContact O-N 3.14Å; G91-A94 PolarHBondContact O-N 2.78Å; A94-A96 VanDerWaalsContact C-N 3.28Å; A94-A96 PolarHBondContact O-N 2.82Å; A94-K97 WeakPolarHBondContact O-CB 3.44Å; A94-K97 PolarHBondContact O-N 3.01Å; A94-I189 HydrophobicContact CB-CB 4.02Å; A94-I189 HydrophobicContact CB-CG2 3.6Å; A94-L191 HydrophobicContact CB-CD1 4.17Å
95L95.3Very high93.3Very high66 Ų6650.5 Ų50.535%0.34629%0.292SS..Hα-helixtrans-62.3-36.6177-174.766.2000112.1E83 G91 K97 L191E83-L95 HydrophobicContact CB-CD2 4.26Å; E83-L95 HydrophobicContact CG-CD2 3.66Å; G91-L95 WeakPolarHBondContact O-CB 3.41Å; G91-L95 PolarHBondContact O-N 3.35Å; L95-K97 VanDerWaalsContact C-N 3.28Å; L95-K97 PolarHBondContact O-N 3.4Å; L95-L191 HydrophobicContact CB-CD1 4.28Å; L95-L191 HydrophobicContact CD1-CD1 4.26Å
96A95.9Very high93.9Very high1 Ų146.5 Ų46.51%0.00828%0.276CS..THydrogen-bonded Turntrans-86.814178.400000113.9L4 I50 P92 I93 A94 D98 L99 L100L4-A96 HydrophobicContact CD1-CB 3.65Å; I50-A96 HydrophobicContact CG2-CB 4.2Å; P92-A96 VanDerWaalsContact O-CB 3.29Å; P92-A96 WeakPolarHBondContact O-CB 3.4Å; P92-A96 PolarHBondContact O-N 2.92Å; I93-A96 PolarHBondContact O-N 3.47Å; A94-A96 VanDerWaalsContact C-N 3.28Å; A94-A96 PolarHBondContact O-N 2.82Å; A96-D98 PolarHBondContact O-N 2.9Å; A96-L99 WeakPolarHBondContact O-CA 3.24Å; A96-L99 WeakPolarHBondContact O-CB 3.35Å; A96-L99 PolarHBondContact O-N 3.39Å; A96-L100 HydrophobicContact CB-CD1 4.13Å; A96-L100 HydrophobicContact CB-CG 4.32Å; A96-L100 WeakPolarHBondContact O-CG 3.37Å; A96-L100 PolarHBondContact O-N 2.87Å
97K96Very high94.5Very high77 Ų7742.8 Ų42.834%0.33525%0.245SC..Hα-helixtrans-48.6-52-175.1175.5168.1179.9157.80112.9I93 A94 L95 L99 L100 L101 I186 D187I93-K97 PolarHBondContact O-N 3.35Å; A94-K97 WeakPolarHBondContact O-CB 3.44Å; A94-K97 PolarHBondContact O-N 3.01Å; L95-K97 VanDerWaalsContact C-N 3.28Å; L95-K97 PolarHBondContact O-N 3.4Å; K97-L99 PolarHBondContact O-N 3.23Å; K97-L100 PolarHBondContact O-N 3.12Å; K97-L100 VanDerWaalsContact O-N 3.08Å; K97-L101 HydrophobicContact CD-CD1 4.09Å; K97-L101 VanDerWaalsContact CE-CD1 3.46Å; K97-L101 HydrophobicContact CG-CD1 3.55Å; K97-L101 HydrophobicContact CG-CG 4.12Å; K97-L101 WeakPolarHBondContact O-CB 3.12Å; K97-L101 WeakPolarHBondContact O-CG 3.44Å; K97-L101 PolarHBondContact O-N 2.83Å; K97-I186 HydrophobicContact CB-CG2 4Å; K97-I186 HydrophobicContact CD-CG2 3.8Å; K97-I186 HydrophobicContact CG-CG2 3.86Å; K97-D187 IonicContact NZ-OD1 3.14Å; K97-D187 PolarHBondContact NZ-OD1 3.02Å; K97-D187 VanDerWaalsContact NZ-OD1 3.14Å
98D95.2Very high94.9Very high145 Ų14542.2 Ų42.278%0.77524%0.242SC*.Hα-helixtrans-66.4-26.9-177.2-60.6-25000112.9A96A96-D98 PolarHBondContact O-N 2.9Å
99L95.7Very high95.2Very high56 Ų5640.1 Ų40.129%0.29322%0.22SC..Hα-helixtrans-79.2-32175-61.2175.5000111.5K2 I50 T79 A96 K97K2-L99 WeakPolarHBondContact CD-O 3.41Å; K2-L99 WeakPolarHBondContact CE-O 3.22Å; K2-L99 PolarHBondContact NZ-O 3.14Å; I50-L99 HydrophobicContact CD1-CB 3.65Å; I50-L99 HydrophobicContact CG1-CB 4.27Å; I50-L99 HydrophobicContact CG1-CD1 4.49Å; I50-L99 HydrophobicContact CG2-CD1 4.09Å; T79-L99 HydrophobicContact CG2-CD1 3.83Å; T79-L99 HydrophobicContact CG2-CD2 4.22Å; A96-L99 WeakPolarHBondContact O-CA 3.24Å; A96-L99 WeakPolarHBondContact O-CB 3.35Å; A96-L99 PolarHBondContact O-N 3.39Å; K97-L99 PolarHBondContact O-N 3.23Å
100L95.7Very high95.4Very high3 Ų338.5 Ų38.52%0.01621%0.21CC..Hα-helixtrans-82.1-40.2-178.7-70.2169.5000112.1L4 I50 I93 A96 K97 V102 F107 I186L4-L100 HydrophobicContact CB-CD2 4.45Å; L4-L100 HydrophobicContact CD1-CD1 4.11Å; I50-L100 HydrophobicContact CD1-CD2 3.58Å; I50-L100 HydrophobicContact CD1-CG 3.97Å; I93-L100 HydrophobicContact CG2-CD1 3.87Å; A96-L100 HydrophobicContact CB-CD1 4.13Å; A96-L100 HydrophobicContact CB-CG 4.32Å; A96-L100 WeakPolarHBondContact O-CG 3.37Å; A96-L100 PolarHBondContact O-N 2.87Å; K97-L100 PolarHBondContact O-N 3.12Å; K97-L100 VanDerWaalsContact O-N 3.08Å; L100-V102 PolarHBondContact O-N 3.45Å; L100-V102 VanDerWaalsContact O-N 3.09Å; L100-F107 HydrophobicContact CD1-CD2 4.25Å; L100-F107 HydrophobicContact CD1-CE2 3.89Å; L100-F107 HydrophobicContact CD1-CZ 4.04Å; L100-F107 HydrophobicContact CD2-CB 4.09Å; L100-F107 HydrophobicContact CD2-CD1 4.35Å; L100-F107 HydrophobicContact CD2-CD2 3.75Å; L100-F107 HydrophobicContact CD2-CE2 4.24Å; L100-F107 HydrophobicContact CD2-CG 3.8Å; L100-I186 HydrophobicContact CB-CD1 3.9Å; L100-I186 HydrophobicContact CD1-CD1 4Å
101L92.2Very high95.5Very high66 Ų6640.1 Ų40.135%0.34622%0.219SC..THydrogen-bonded Turntrans-8638.9-173.8-62.6-173.1000114.5K97 D103 P183 I186K97-L101 HydrophobicContact CD-CD1 4.09Å; K97-L101 VanDerWaalsContact CE-CD1 3.46Å; K97-L101 HydrophobicContact CG-CD1 3.55Å; K97-L101 HydrophobicContact CG-CG 4.12Å; K97-L101 WeakPolarHBondContact O-CB 3.12Å; K97-L101 WeakPolarHBondContact O-CG 3.44Å; K97-L101 PolarHBondContact O-N 2.83Å; L101-D103 VanDerWaalsContact C-N 3.3Å; L101-P183 HydrophobicContact CD2-CB 3.58Å; L101-P183 HydrophobicContact CD2-CG 4.28Å; L101-I186 HydrophobicContact CD1-CD1 4.43Å; L101-I186 HydrophobicContact CD2-CD1 3.74Å; L101-I186 HydrophobicContact CG-CD1 3.89Å
102V88.9Confident95.4Very high100 Ų10040.4 Ų40.461%0.60622%0.221SC*.THydrogen-bonded Turntrans-76.3-25.6173.1178.60000111.3L100L100-V102 PolarHBondContact O-N 3.45Å; L100-V102 VanDerWaalsContact O-N 3.09Å
103D89.9Confident95.4Very high70 Ų7041.2 Ų41.237%0.37423%0.225SC..SBendtrans-146.4171.6172.559.742.6000109.8L101 S105L101-D103 VanDerWaalsContact C-N 3.3Å; D103-S105 PolarHBondContact O-N 3.11Å; D103-S105 WeakPolarHBondContact OD1-CA 3.42Å; D103-S105 WeakPolarHBondContact OD1-CB 3.46Å; D103-S105 PolarHBondContact OD1-N 3.26Å; D103-S105 PolarHBondContact OD1-OG 3.23Å
104D92.5Very high95.4Very high149 Ų14941.4 Ų41.480%0.79723%0.226SC*.SBendtrans-81.913.9176.9-74.2-33.9000113.1
105S95.6Very high95.4Very high31 Ų3140.9 Ų40.922%0.21722%0.222CC..  trans-74.2144.7-178.975.90000111.4M1 D103M1-S105 WeakPolarHBondContact CA-OG 3.09Å; M1-S105 PolarHBondContact N-OG 2.91Å; D103-S105 PolarHBondContact O-N 3.11Å; D103-S105 WeakPolarHBondContact OD1-CA 3.42Å; D103-S105 WeakPolarHBondContact OD1-CB 3.46Å; D103-S105 PolarHBondContact OD1-N 3.26Å; D103-S105 PolarHBondContact OD1-OG 3.23Å
106P97.6Very high95.5Very high29 Ų2937.8 Ų37.819%0.18821%0.206CC..  trans-62.515317223.8-30000110.5M1 L180 L181M1-P106 HydrophobicContact CE-CG 3.9Å; M1-P106 WeakPolarHBondContact CG-O 3.45Å; P106-L180 HydrophobicContact CB-CD1 3.88Å; P106-L180 HydrophobicContact CB-CG 4.21Å; P106-L180 HydrophobicContact CG-CD1 4.48Å; P106-L181 CarbonylContact C-O 3.54Å; P106-L181 WeakPolarHBondContact CA-O 3.28Å; P106-L181 WeakPolarHBondContact CB-O 3.41Å
107F98.5Very high95.3Very high2 Ų240 Ų401%0.00922%0.217CC..EExtended strand (participates in β ladder)trans-127146.3-179.960.8-88.9000111.2K2 I93 L100 V109 L181 I186K2-F107 HydrophobicContact CB-CB 4.49Å; K2-F107 VanDerWaalsContact O-CA 3.27Å; K2-F107 WeakPolarHBondContact O-CA 3.35Å; K2-F107 WeakPolarHBondContact O-CB 3.42Å; I93-F107 HydrophobicContact CG2-CE2 3.91Å; I93-F107 HydrophobicContact CG2-CZ 3.85Å; L100-F107 HydrophobicContact CD1-CD2 4.25Å; L100-F107 HydrophobicContact CD1-CE2 3.89Å; L100-F107 HydrophobicContact CD1-CZ 4.04Å; L100-F107 HydrophobicContact CD2-CB 4.09Å; L100-F107 HydrophobicContact CD2-CD1 4.35Å; L100-F107 HydrophobicContact CD2-CD2 3.75Å; L100-F107 HydrophobicContact CD2-CE2 4.24Å; L100-F107 HydrophobicContact CD2-CG 3.8Å; F107-V109 HydrophobicContact CD2-CG2 3.69Å; F107-V109 HydrophobicContact CE2-CG2 3.47Å; F107-V109 VanDerWaalsContact CE2-CG2 3.47Å; F107-L181 HydrophobicContact CE2-CB 4.27Å; F107-L181 HydrophobicContact CE2-CD1 4.43Å; F107-L181 HydrophobicContact CZ-CB 4.13Å; F107-L181 PolarHBondContact N-O 3.06Å; F107-L181 PolarHBondContact O-N 2.76Å; F107-I186 HydrophobicContact CE1-CD1 4.01Å; F107-I186 HydrophobicContact CE1-CG1 4.16Å; F107-I186 HydrophobicContact CZ-CD1 4.1Å; F107-I186 HydrophobicContact CZ-CG1 3.99Å
108F98.6Very high95.3Very high0 Ų037.5 Ų37.50%021%0.207CC..EExtended strand (participates in β ladder)trans-77.5147.1174.4-74.7-78.6000111M1 K2 A3 L4 L41 V44 V46 L110 F120 I123 M124 Y179 L180M1-F108 HydrophobicContact SD-CD2 4.09Å; M1-F108 HydrophobicContact SD-CE2 3.69Å; K2-F108 PolarHBondContact O-N 3.28Å; A3-F108 CarbonylContact C-O 3.59Å; A3-F108 VanDerWaalsContact CA-O 3.28Å; A3-F108 WeakPolarHBondContact CA-O 3.5Å; A3-F108 HydrophobicContact CB-CB 3.81Å; L4-F108 PolarHBondContact N-O 2.85Å; L41-F108 HydrophobicContact CD2-CB 4.06Å; L41-F108 HydrophobicContact CD2-CD2 3.74Å; L41-F108 HydrophobicContact CD2-CE2 4.31Å; L41-F108 HydrophobicContact CD2-CG 3.89Å; V44-F108 HydrophobicContact CG2-CE2 4.46Å; V46-F108 HydrophobicContact CG2-CD2 4.04Å; V46-F108 HydrophobicContact CG2-CE2 4.3Å; F108-L110 HydrophobicContact CB-CD1 3.71Å; F108-F120 HydrophobicContact CD1-CD1 4Å; F108-F120 HydrophobicContact CD1-CE1 4.37Å; F108-F120 HydrophobicContact CE1-CB 4.22Å; F108-F120 AromaticContact CE1-CD1 3.58Å; F108-F120 HydrophobicContact CE1-CD1 3.58Å; F108-F120 HydrophobicContact CE1-CE1 4.38Å; F108-F120 HydrophobicContact CE1-CG 4.23Å; F108-F120 HydrophobicContact CE2-CB 4.38Å; F108-F120 HydrophobicContact CZ-CB 3.74Å; F108-F120 AromaticContact CZ-CD1 3.92Å; F108-F120 HydrophobicContact CZ-CD1 3.92Å; F108-F120 HydrophobicContact CZ-CG 4.09Å; F108-I123 HydrophobicContact CE1-CB 4.31Å; F108-I123 HydrophobicContact CE1-CD1 4.48Å; F108-I123 HydrophobicContact CE1-CG2 4Å; F108-M124 HydrophobicContact CE2-CG 4.19Å; F108-M124 HydrophobicContact CE2-SD 4.24Å; F108-M124 HydrophobicContact CZ-CG 3.75Å; F108-M124 HydrophobicContact CZ-SD 4.21Å; F108-Y179 CarbonylContact C-O 3.57Å; F108-Y179 VanDerWaalsContact CA-O 3.25Å; F108-Y179 WeakPolarHBondContact CA-O 3.36Å; F108-Y179 WeakPolarHBondContact CD1-O 3.35Å; F108-L180 HydrophobicContact CD1-CB 4.15Å; F108-L180 HydrophobicContact CD1-CD1 4Å; F108-L180 HydrophobicContact CD2-CD1 4.15Å; F108-L180 HydrophobicContact CE1-CB 4.07Å; F108-L180 HydrophobicContact CE1-CD1 4.03Å; F108-L180 HydrophobicContact CE1-CD2 4.33Å; F108-L180 HydrophobicContact CE1-CG 4.38Å; F108-L180 HydrophobicContact CE2-CD1 4.18Å; F108-L180 HydrophobicContact CG-CD1 4.07Å; F108-L180 HydrophobicContact CZ-CD1 4.12Å; F108-L180 HydrophobicContact CZ-CD2 4.33Å
109V98.5Very high95.3Very high0 Ų031.9 Ų31.90%018%0.178CC..EExtended strand (participates in β ladder)trans-128.7130.2166.61790000109L4 L6 I93 F107 Y179 L181L4-V109 HydrophobicContact CB-CG2 4.41Å; L4-V109 HydrophobicContact CD2-CG1 4.2Å; L4-V109 CarbonylContact O-C 3.58Å; L4-V109 WeakPolarHBondContact O-CA 3.29Å; L6-V109 HydrophobicContact CD1-CG1 4.43Å; L6-V109 HydrophobicContact CG-CG1 4.42Å; I93-V109 HydrophobicContact CD1-CG1 4.2Å; I93-V109 HydrophobicContact CD1-CG2 4.05Å; I93-V109 HydrophobicContact CG1-CG2 4.36Å; F107-V109 HydrophobicContact CD2-CG2 3.69Å; F107-V109 HydrophobicContact CE2-CG2 3.47Å; F107-V109 VanDerWaalsContact CE2-CG2 3.47Å; V109-Y179 HydrophobicContact CB-CD2 3.77Å; V109-Y179 HydrophobicContact CB-CG 4.45Å; V109-Y179 HydrophobicContact CG1-CD2 3.77Å; V109-Y179 HydrophobicContact CG1-CE2 4.25Å; V109-Y179 PolarHBondContact N-O 2.85Å; V109-Y179 PolarHBondContact O-N 2.91Å; V109-L181 HydrophobicContact CB-CD1 4.42Å; V109-L181 HydrophobicContact CG2-CD1 3.86Å
110L98.3Very high95.4Very high0 Ų029.2 Ų29.20%016%0.164CC..EExtended strand (participates in β ladder)trans-132.7144.7-175.4-64.486.2000112.4L4 I5 L6 Q37 L41 F108 F120 G177 I178L4-L110 PolarHBondContact O-N 2.76Å; I5-L110 WeakPolarHBondContact CA-O 3.29Å; I5-L110 HydrophobicContact CG1-CB 4.33Å; I5-L110 HydrophobicContact CG1-CD1 4.45Å; I5-L110 HydrophobicContact CG2-CB 4.29Å; L6-L110 PolarHBondContact N-O 3.38Å; Q37-L110 HydrophobicContact CB-CD2 4.32Å; Q37-L110 HydrophobicContact CG-CD2 4.41Å; L41-L110 HydrophobicContact CD1-CD1 4.14Å; L41-L110 HydrophobicContact CD2-CD1 4.28Å; F108-L110 HydrophobicContact CB-CD1 3.71Å; L110-F120 HydrophobicContact CD2-CE1 4.01Å; L110-F120 HydrophobicContact CD2-CZ 3.75Å; L110-G177 WeakPolarHBondContact CA-O 3.28Å; L110-I178 HydrophobicContact CD2-CG1 4.27Å; L110-I178 HydrophobicContact CG-CG1 4.31Å; L110-I178 HydrophobicContact CG-CG2 4.36Å
111N96.2Very high95.5Very high34 Ų3437.1 Ų37.118%0.18220%0.198CC..EExtended strand (participates in β ladder)trans-77.3131.1161.7-69.7-3.9000109.8Q37 D113 I114 G177Q37-N111 PolarHBondContact NE2-O 3.16Å; N111-D113 VanDerWaalsContact C-N 3.25Å; N111-D113 PolarHBondContact O-N 2.95Å; N111-I114 HydrophobicContact CB-CG1 3.7Å; N111-I114 PolarHBondContact O-N 3.43Å; N111-G177 PolarHBondContact N-O 3.41Å
112S94.7Very high95.8Very high6 Ų636.3 Ų36.34%0.04220%0.201CC..THydrogen-bonded Turntrans-69.8-12.9-174.752.70000115.7L6 L33L6-S112 WeakPolarHBondContact O-CB 3.48Å; L6-S112 PolarHBondContact O-N 3.48Å; L6-S112 PolarHBondContact O-OG 3.31Å; L33-S112 WeakPolarHBondContact CD2-O 3.44Å
113D94.7Very high96.2Very high19 Ų1931.7 Ų31.710%0.10217%0.173CC..THydrogen-bonded Turntrans-99.78.6179.3447.2000115R13 K23 N111 V222R13-D113 IonicContact NH2-OD2 2.57Å; K23-D113 HydrophobicContact CD-CB 4.17Å; K23-D113 IonicContact NZ-OD2 3.86Å; K23-D113 PolarHBondContact NZ-OD2 2.98Å; N111-D113 VanDerWaalsContact C-N 3.25Å; N111-D113 PolarHBondContact O-N 2.95Å; D113-V222 VanDerWaalsContact O-CG2 3.32Å; D113-V222 WeakPolarHBondContact O-CG2 3.43Å; D113-V222 PolarHBondContact O-N 3.35Å
114I96.3Very high96.6Very high4 Ų431 Ų312%0.02117%0.168CC..EExtended strand (participates in β ladder)trans-92131.2-179.8-58.1-56.3000111.1Q37 N111 A176 I178 W219 D221Q37-I114 PolarHBondContact NE2-O 3.4Å; N111-I114 HydrophobicContact CB-CG1 3.7Å; N111-I114 PolarHBondContact O-N 3.43Å; I114-A176 WeakPolarHBondContact CG2-O 3.27Å; I114-I178 HydrophobicContact CG2-CD1 4.2Å; I114-I178 HydrophobicContact CG2-CG1 4.41Å; I114-W219 HydrophobicContact CD1-CZ2 3.67Å; I114-D221 HydrophobicContact CD1-CB 4.08Å
115M97.4Very high96.9Very high0 Ų026.9 Ų26.90%016%0.155CC..EExtended strand (participates in β ladder)trans-119.2128.9169.4-71.8-56.3-55.600110.8F28 L33 H36 F118 F218 W219 M220 V222 Y235F28-M115 HydrophobicContact CD1-CE 3.89Å; F28-M115 HydrophobicContact CD1-CG 3.95Å; F28-M115 HydrophobicContact CD1-SD 4.14Å; F28-M115 HydrophobicContact CE1-CB 4.31Å; F28-M115 HydrophobicContact CE1-CE 3.83Å; F28-M115 HydrophobicContact CE1-CG 3.8Å; F28-M115 HydrophobicContact CE1-SD 4.36Å; F28-M115 HydrophobicContact CG-CG 4.46Å; F28-M115 HydrophobicContact CZ-CB 4.49Å; F28-M115 HydrophobicContact CZ-CG 4.17Å; L33-M115 HydrophobicContact CD1-CG 3.67Å; L33-M115 HydrophobicContact CD1-SD 3.58Å; L33-M115 VanDerWaalsContact CD1-SD 3.58Å; H36-M115 HydrophobicContact CB-CE 3.71Å; H36-M115 HydrophobicContact CB-SD 3.95Å; M115-F118 HydrophobicContact CE-CE2 4.07Å; M115-F118 HydrophobicContact CE-CZ 4.25Å; M115-F118 HydrophobicContact SD-CE2 4.5Å; M115-F118 HydrophobicContact SD-CZ 4.12Å; M115-F218 HydrophobicContact CB-CE2 4.21Å; M115-W219 CarbonylContact O-C 3.54Å; M115-W219 WeakPolarHBondContact O-CA 3.37Å; M115-M220 PolarHBondContact N-O 2.81Å; M115-M220 PolarHBondContact O-N 2.82Å; M115-V222 HydrophobicContact CB-CG1 4.38Å; M115-V222 HydrophobicContact CG-CG1 4.18Å; M115-V222 HydrophobicContact CG-CG2 4.11Å; M115-Y235 HydrophobicContact CE-CD2 4.08Å; M115-Y235 HydrophobicContact CE-CE2 4.14Å
116C96.6Very high97Very high2 Ų227.8 Ų27.81%0.01416%0.155CC..EExtended strand (participates in β ladder)trans-156.1-171.117362.20000109.6F118 I178 L215 F218C116-F118 WeakPolarHBondContact O-CD2 3.26Å; C116-F118 WeakPolarHBondContact O-CE2 3.25Å; C116-F118 PolarHBondContact O-N 3.13Å; C116-F118 WeakPolarHBondContact SG-CD1 3.42Å; C116-F118 PolarHBondContact SG-N 3.19Å; C116-F118 VanDerWaalsContact SG-N 3.36Å; C116-I178 VanDerWaalsContact SG-CD1 3.55Å; C116-L215 HydrophobicContact CB-CD2 3.86Å; C116-F218 VanDerWaalsContact C-CE1 3.45Å; C116-F218 WeakPolarHBondContact CA-O 3.44Å; C116-F218 WeakPolarHBondContact CB-O 3.28Å; C116-F218 WeakPolarHBondContact O-CZ 3.43Å
117D92.1Very high97.1Very high47 Ų4726.8 Ų26.825%0.25115%0.148SC..  trans-78-3.9172.462.7-12.8000113.7L215 F218 Y238D117-L215 WeakPolarHBondContact OD1-CD1 3.48Å; D117-F218 HydrophobicContact CB-CE1 4.38Å; D117-Y238 HydrophobicContact CB-CD2 4.31Å; D117-Y238 HydrophobicContact CB-CE2 3.89Å
118F95.7Very high97Very high24 Ų2435.3 Ų35.311%0.10519%0.185CC..  trans52.271.9175-57.1-67.9000114.1H36 Q37 A40 M115 C116 F120 I178H36-F118 HydrophobicContact CB-CE2 4.16Å; Q37-F118 HydrophobicContact CG-CE1 3.78Å; Q37-F118 HydrophobicContact CG-CZ 3.68Å; A40-F118 HydrophobicContact CB-CB 3.74Å; A40-F118 HydrophobicContact CB-CD2 3.82Å; A40-F118 HydrophobicContact CB-CG 3.91Å; M115-F118 HydrophobicContact CE-CE2 4.07Å; M115-F118 HydrophobicContact CE-CZ 4.25Å; M115-F118 HydrophobicContact SD-CE2 4.5Å; M115-F118 HydrophobicContact SD-CZ 4.12Å; C116-F118 WeakPolarHBondContact O-CD2 3.26Å; C116-F118 WeakPolarHBondContact O-CE2 3.25Å; C116-F118 PolarHBondContact O-N 3.13Å; C116-F118 WeakPolarHBondContact SG-CD1 3.42Å; C116-F118 PolarHBondContact SG-N 3.19Å; C116-F118 VanDerWaalsContact SG-N 3.36Å; F118-F120 HydrophobicContact CB-CD2 4.05Å; F118-F120 HydrophobicContact CB-CE1 4.36Å; F118-F120 HydrophobicContact CB-CE2 3.62Å; F118-F120 HydrophobicContact CB-CZ 3.76Å; F118-F120 HydrophobicContact CD1-CE1 4.31Å; F118-F120 HydrophobicContact CD1-CE2 4.22Å; F118-F120 AromaticContact CD1-CZ 3.63Å; F118-F120 HydrophobicContact CD1-CZ 3.63Å; F118-F120 HydrophobicContact CG-CE2 4.11Å; F118-F120 AromaticContact CG-CZ 3.98Å; F118-F120 HydrophobicContact CG-CZ 3.98Å; F118-F120 PolarHBondContact O-N 3.42Å; F118-I178 HydrophobicContact CD1-CD1 3.95Å; F118-I178 HydrophobicContact CE1-CD1 4.18Å
119P96.4Very high97Very high27 Ų2742 Ų4218%0.17522%0.22CC..  trans-78.545.4-174.336-39.3000112.9K121 A122 I123 L137 M213 L215P119-K121 VanDerWaalsContact C-N 3.27Å; P119-K121 PolarHBondContact O-N 2.67Å; P119-K121 VanDerWaalsContact O-N 3.16Å; P119-A122 HydrophobicContact CB-CB 4.29Å; P119-A122 WeakPolarHBondContact O-CA 3.21Å; P119-A122 WeakPolarHBondContact O-CB 3.21Å; P119-A122 PolarHBondContact O-N 2.77Å; P119-I123 HydrophobicContact CG-CD1 4.32Å; P119-I123 HydrophobicContact CG-CG1 4.42Å; P119-I123 WeakPolarHBondContact O-CG1 3.41Å; P119-I123 PolarHBondContact O-N 3.29Å; P119-L137 HydrophobicContact CG-CD1 4.17Å; P119-M213 HydrophobicContact CB-CE 4.3Å; P119-M213 HydrophobicContact CG-CE 3.92Å; P119-L215 HydrophobicContact CG-CD1 3.69Å
120F98Very high96.9Very high1 Ų143.2 Ų43.20%0.00423%0.226CC..Hα-helixtrans-56.4-37.8-171.3-62.3-45.8000113.5A40 L41 V44 F108 L110 F118 A122 I123 M124 I178A40-F120 HydrophobicContact CB-CD2 4.09Å; A40-F120 HydrophobicContact CB-CE2 3.55Å; L41-F120 HydrophobicContact CB-CE2 4.35Å; L41-F120 HydrophobicContact CD2-CD1 4.29Å; L41-F120 HydrophobicContact CD2-CD2 3.92Å; L41-F120 HydrophobicContact CD2-CE1 4.03Å; L41-F120 HydrophobicContact CD2-CE2 3.59Å; L41-F120 HydrophobicContact CD2-CG 4.27Å; L41-F120 HydrophobicContact CD2-CZ 3.69Å; L41-F120 HydrophobicContact CG-CD2 4.25Å; L41-F120 HydrophobicContact CG-CE2 3.6Å; L41-F120 HydrophobicContact CG-CZ 3.9Å; V44-F120 HydrophobicContact CB-CB 4.37Å; V44-F120 HydrophobicContact CG1-CB 3.9Å; V44-F120 HydrophobicContact CG2-CB 3.74Å; V44-F120 HydrophobicContact CG2-CD2 4.25Å; V44-F120 HydrophobicContact CG2-CG 4.36Å; F108-F120 HydrophobicContact CD1-CD1 4Å; F108-F120 HydrophobicContact CD1-CE1 4.37Å; F108-F120 HydrophobicContact CE1-CB 4.22Å; F108-F120 AromaticContact CE1-CD1 3.58Å; F108-F120 HydrophobicContact CE1-CD1 3.58Å; F108-F120 HydrophobicContact CE1-CE1 4.38Å; F108-F120 HydrophobicContact CE1-CG 4.23Å; F108-F120 HydrophobicContact CE2-CB 4.38Å; F108-F120 HydrophobicContact CZ-CB 3.74Å; F108-F120 AromaticContact CZ-CD1 3.92Å; F108-F120 HydrophobicContact CZ-CD1 3.92Å; F108-F120 HydrophobicContact CZ-CG 4.09Å; L110-F120 HydrophobicContact CD2-CE1 4.01Å; L110-F120 HydrophobicContact CD2-CZ 3.75Å; F118-F120 HydrophobicContact CB-CD2 4.05Å; F118-F120 HydrophobicContact CB-CE1 4.36Å; F118-F120 HydrophobicContact CB-CE2 3.62Å; F118-F120 HydrophobicContact CB-CZ 3.76Å; F118-F120 HydrophobicContact CD1-CE1 4.31Å; F118-F120 HydrophobicContact CD1-CE2 4.22Å; F118-F120 AromaticContact CD1-CZ 3.63Å; F118-F120 HydrophobicContact CD1-CZ 3.63Å; F118-F120 HydrophobicContact CG-CE2 4.11Å; F118-F120 AromaticContact CG-CZ 3.98Å; F118-F120 HydrophobicContact CG-CZ 3.98Å; F118-F120 PolarHBondContact O-N 3.42Å; F120-A122 VanDerWaalsContact C-N 3.32Å; F120-A122 PolarHBondContact O-N 3.47Å; F120-I123 HydrophobicContact CD1-CD1 4.15Å; F120-I123 PolarHBondContact O-N 2.75Å; F120-M124 VanDerWaalsContact O-CG 3.25Å; F120-M124 WeakPolarHBondContact O-CG 3.31Å; F120-M124 PolarHBondContact O-N 2.78Å; F120-I178 HydrophobicContact CD1-CG2 4.45Å; F120-I178 HydrophobicContact CE1-CG2 3.87Å
121K97.5Very high96.8Very high169 Ų16945.8 Ų45.874%0.73525%0.252SS*.Hα-helixtrans-61.9-40.3176-173.1177.4-179.6179.60112.1V44 P119 A125V44-K121 HydrophobicContact CG1-CB 4.19Å; P119-K121 VanDerWaalsContact C-N 3.27Å; P119-K121 PolarHBondContact O-N 2.67Å; P119-K121 VanDerWaalsContact O-N 3.16Å; K121-A125 PolarHBondContact O-N 3.22Å; K121-A125 VanDerWaalsContact O-N 3.13Å
122A97.7Very high96.9Very high48 Ų4848 Ų4840%0.39726%0.26SS..Hα-helixtrans-69.8-40.9176.300000111.1P119 F120 M124 A125 F126 M213P119-A122 HydrophobicContact CB-CB 4.29Å; P119-A122 WeakPolarHBondContact O-CA 3.21Å; P119-A122 WeakPolarHBondContact O-CB 3.21Å; P119-A122 PolarHBondContact O-N 2.77Å; F120-A122 VanDerWaalsContact C-N 3.32Å; F120-A122 PolarHBondContact O-N 3.47Å; A122-M124 VanDerWaalsContact C-N 3.34Å; A122-M124 PolarHBondContact O-N 3.13Å; A122-A125 PolarHBondContact O-N 3.4Å; A122-F126 WeakPolarHBondContact O-CB 3.47Å; A122-F126 PolarHBondContact O-N 2.79Å; A122-M213 HydrophobicContact CB-CE 4.07Å; A122-M213 HydrophobicContact CB-SD 4.09Å
123I98.2Very high97Very high3 Ų348.2 Ų48.22%0.01526%0.262CS..Hα-helixtrans-58-46.6174.6-61.7171.1000110.4F108 P119 F120 A125 F126 H127 T135 L137 I178 L180 M213F108-I123 HydrophobicContact CE1-CB 4.31Å; F108-I123 HydrophobicContact CE1-CD1 4.48Å; F108-I123 HydrophobicContact CE1-CG2 4Å; P119-I123 HydrophobicContact CG-CD1 4.32Å; P119-I123 HydrophobicContact CG-CG1 4.42Å; P119-I123 WeakPolarHBondContact O-CG1 3.41Å; P119-I123 PolarHBondContact O-N 3.29Å; F120-I123 HydrophobicContact CD1-CD1 4.15Å; F120-I123 PolarHBondContact O-N 2.75Å; I123-A125 PolarHBondContact O-N 2.83Å; I123-F126 PolarHBondContact O-N 3Å; I123-H127 WeakPolarHBondContact O-CB 3.47Å; I123-H127 PolarHBondContact O-N 3.39Å; I123-T135 HydrophobicContact CG2-CG2 4.2Å; I123-L137 HydrophobicContact CD1-CD1 4.16Å; I123-L137 HydrophobicContact CG1-CD1 4.33Å; I123-I178 HydrophobicContact CD1-CG2 3.96Å; I123-L180 HydrophobicContact CG2-CB 3.68Å; I123-L180 HydrophobicContact CG2-CD2 3.97Å; I123-L180 HydrophobicContact CG2-CG 4.49Å; I123-M213 HydrophobicContact CB-CE 4.43Å; I123-M213 HydrophobicContact CD1-CE 4.46Å; I123-M213 HydrophobicContact CG1-CE 3.43Å; I123-M213 VanDerWaalsContact CG1-CE 3.43Å; I123-M213 HydrophobicContact CG1-SD 4.35Å
124M98.2Very high97.2Very high57 Ų5747.3 Ų47.328%0.28126%0.257SS..Hα-helixtrans-61.5-44.6178.3-69.6166.370.900112.5M1 V44 F108 F120 A122 K128 L180M1-M124 HydrophobicContact CE-CE 3.86Å; M1-M124 HydrophobicContact SD-CE 3.86Å; M1-M124 HydrophobicContact SD-CG 4.47Å; M1-M124 HydrophobicContact SD-SD 4.16Å; V44-M124 HydrophobicContact CB-SD 4.11Å; V44-M124 HydrophobicContact CG2-SD 4.27Å; F108-M124 HydrophobicContact CE2-CG 4.19Å; F108-M124 HydrophobicContact CE2-SD 4.24Å; F108-M124 HydrophobicContact CZ-CG 3.75Å; F108-M124 HydrophobicContact CZ-SD 4.21Å; F120-M124 VanDerWaalsContact O-CG 3.25Å; F120-M124 WeakPolarHBondContact O-CG 3.31Å; F120-M124 PolarHBondContact O-N 2.78Å; A122-M124 VanDerWaalsContact C-N 3.34Å; A122-M124 PolarHBondContact O-N 3.13Å; M124-K128 WeakPolarHBondContact O-CB 3.5Å; M124-K128 PolarHBondContact O-N 2.9Å; M124-L180 HydrophobicContact CB-CD2 4.43Å; M124-L180 HydrophobicContact CG-CD2 4.03Å
125A98.1Very high97.3Very high62 Ų6247.2 Ų47.251%0.51226%0.256SS..Hα-helixtrans-64.3-45.1178.700000111.6K121 A122 I123 K128 N129K121-A125 PolarHBondContact O-N 3.22Å; K121-A125 VanDerWaalsContact O-N 3.13Å; A122-A125 PolarHBondContact O-N 3.4Å; I123-A125 PolarHBondContact O-N 2.83Å; A125-K128 PolarHBondContact O-N 3.44Å; A125-N129 WeakPolarHBondContact O-CB 3.19Å; A125-N129 PolarHBondContact O-N 2.81Å; A125-N129 VanDerWaalsContact O-N 3.07Å
126F98.2Very high97.4Very high49 Ų4947.2 Ų47.222%0.21526%0.256CS..Hα-helixtrans-63.1-45.7177.1-179.6-98.4000111.9A122 I123 K128 N129 H130 T135 Y211 C212 M213A122-F126 WeakPolarHBondContact O-CB 3.47Å; A122-F126 PolarHBondContact O-N 2.79Å; I123-F126 PolarHBondContact O-N 3Å; F126-K128 PolarHBondContact O-N 3.5Å; F126-N129 WeakPolarHBondContact O-CB 3.32Å; F126-N129 PolarHBondContact O-N 2.95Å; F126-N129 VanDerWaalsContact O-N 3.1Å; F126-H130 AromaticContact CD1-CD2 3.8Å; F126-H130 AromaticContact CE1-CD2 3.66Å; F126-H130 PolarHBondContact O-CD2 2.87Å; F126-H130 PolarHBondContact O-N 3.49Å; F126-T135 HydrophobicContact CD1-CG2 3.65Å; F126-T135 HydrophobicContact CE1-CG2 3.94Å; F126-Y211 HydrophobicContact CZ-CD1 4.37Å; F126-C212 WeakPolarHBondContact CE1-O 3.08Å; F126-C212 WeakPolarHBondContact CZ-O 3.48Å; F126-M213 HydrophobicContact CB-SD 4.07Å; F126-M213 HydrophobicContact CD1-CB 4.09Å; F126-M213 HydrophobicContact CE1-CB 4.28Å; F126-M213 HydrophobicContact CG-CB 4.41Å; F126-M213 HydrophobicContact CG-CG 4.46Å; F126-M213 HydrophobicContact CG-SD 4.41Å
127H98.4Very high97.4Very high9 Ų947.2 Ų47.24%0.04226%0.256CS..Hα-helixtrans-58.4-47.1178-173.886.9000112.1I123 N129 H130 G131 K132 T135 L180 N182I123-H127 WeakPolarHBondContact O-CB 3.47Å; I123-H127 PolarHBondContact O-N 3.39Å; H127-N129 VanDerWaalsContact C-N 3.28Å; H127-N129 PolarHBondContact O-N 3Å; H127-H130 WeakPolarHBondContact CA-NE2 3.33Å; H127-H130 AromaticContact ND1-CE1 3.97Å; H127-H130 AromaticContact ND1-NE2 3.89Å; H127-G131 PolarHBondContact O-N 3.05Å; H127-K132 PolarHBondContact CE1-O 3.26Å; H127-T135 WeakPolarHBondContact CA-OG1 3.33Å; H127-T135 VanDerWaalsContact CB-OG1 3.31Å; H127-T135 WeakPolarHBondContact CB-OG1 3.42Å; H127-T135 PolarHBondContact ND1-OG1 2.85Å; H127-L180 HydrophobicContact CB-CD2 3.55Å; H127-L180 HydrophobicContact CB-CG 4.3Å; H127-L180 PolarHBondContact CE1-O 3.18Å; H127-L180 PolarHBondContact ND1-O 2.68Å; H127-N182 PolarHBondContact NE2-OD1 2.92Å; H127-N182 VanDerWaalsContact NE2-OD1 3.11Å
128K97.6Very high97.7Very high180 Ų18045 Ų4578%0.78324%0.244SC*.Hα-helixtrans-61-37.1176.1-174.8178179.6-179.40112.1M124 A125 F126M124-K128 WeakPolarHBondContact O-CB 3.5Å; M124-K128 PolarHBondContact O-N 2.9Å; A125-K128 PolarHBondContact O-N 3.44Å; F126-K128 PolarHBondContact O-N 3.5Å
129N97.8Very high97.7Very high141 Ų14144.3 Ų44.375%0.75424%0.243SC*.Hα-helixtrans-68.3-42.6-177-17361.5000113A125 F126 H127A125-N129 WeakPolarHBondContact O-CB 3.19Å; A125-N129 PolarHBondContact O-N 2.81Å; A125-N129 VanDerWaalsContact O-N 3.07Å; F126-N129 WeakPolarHBondContact O-CB 3.32Å; F126-N129 PolarHBondContact O-N 2.95Å; F126-N129 VanDerWaalsContact O-N 3.1Å; H127-N129 VanDerWaalsContact C-N 3.28Å; H127-N129 PolarHBondContact O-N 3Å
130H97.3Very high97.7Very high26 Ų2648.3 Ų48.312%0.1226%0.259CS..Hα-helixtrans-83.9-24.8178.97272.6000113.2F126 H127 K132 T135 Y211F126-H130 AromaticContact CD1-CD2 3.8Å; F126-H130 AromaticContact CE1-CD2 3.66Å; F126-H130 PolarHBondContact O-CD2 2.87Å; F126-H130 PolarHBondContact O-N 3.49Å; H127-H130 WeakPolarHBondContact CA-NE2 3.33Å; H127-H130 AromaticContact ND1-CE1 3.97Å; H127-H130 AromaticContact ND1-NE2 3.89Å; H130-K132 VanDerWaalsContact C-N 3.32Å; H130-K132 WeakPolarHBondContact ND1-CB 3.35Å; H130-K132 PolarHBondContact ND1-N 3.36Å; H130-K132 PolarHBondContact O-N 3.13Å; H130-T135 PolarHBondContact NE2-OG1 3.35Å; H130-Y211 HydrophobicContact CB-CD1 3.76Å; H130-Y211 HydrophobicContact CB-CD2 4.41Å; H130-Y211 HydrophobicContact CB-CE1 3.82Å; H130-Y211 HydrophobicContact CB-CG 4.08Å; H130-Y211 AromaticContact CD2-CG 3.79Å; H130-Y211 AromaticContact CG-CD1 3.84Å; H130-Y211 AromaticContact CG-CD2 3.98Å; H130-Y211 AromaticContact CG-CG 3.66Å; H130-Y211 AromaticContact ND1-CD2 3.69Å; H130-Y211 AromaticContact ND1-CG 3.8Å
131G96.4Very high97.4Very high53 Ų5349.6 Ų49.655%0.54627%0.266SS..  trans62.330.8171.200000115.2H127H127-G131 PolarHBondContact O-N 3.05Å
132K97.8Very high96.9Very high81 Ų8150.5 Ų50.535%0.35227%0.273SS..SBendtrans-110.5172.3179.5-57.1-53.5-178-1760111.2H127 H130 G134 N182 Y211H127-K132 PolarHBondContact CE1-O 3.26Å; H130-K132 VanDerWaalsContact C-N 3.32Å; H130-K132 WeakPolarHBondContact ND1-CB 3.35Å; H130-K132 PolarHBondContact ND1-N 3.36Å; H130-K132 PolarHBondContact O-N 3.13Å; K132-G134 VanDerWaalsContact C-N 3.29Å; K132-G134 PolarHBondContact O-N 2.96Å; K132-G134 VanDerWaalsContact O-N 3.17Å; K132-N182 PolarHBondContact O-ND2 3.45Å; K132-Y211 HydrophobicContact CB-CD2 4.02Å; K132-Y211 HydrophobicContact CB-CE2 4.02Å; K132-Y211 HydrophobicContact CG-CD2 3.98Å; K132-Y211 HydrophobicContact CG-CE2 3.48Å; K132-Y211 VanDerWaalsContact CG-CE2 3.48Å
133S97.4Very high96.4Very high11 Ų1153.4 Ų53.48%0.07728%0.279CS..SBendtrans-60-27.4-168.8-55.60000116.1N182 Q209S133-N182 PolarHBondContact O-N 2.88Å; S133-Q209 PolarHBondContact N-O 3.31Å; S133-Q209 PolarHBondContact OG-OE1 2.95Å
134G98.4Very high95.9Very high0 Ų053.7 Ų53.70%028%0.281CS..EExtended strand (participates in β ladder)trans-154.4147-178.100000115.2K132 L180 Q209 Y211K132-G134 VanDerWaalsContact C-N 3.29Å; K132-G134 PolarHBondContact O-N 2.96Å; K132-G134 VanDerWaalsContact O-N 3.17Å; G134-L180 WeakPolarHBondContact CA-O 3.5Å; G134-Q209 PolarHBondContact N-O 2.89Å; G134-Q209 VanDerWaalsContact N-O 3.12Å; G134-Y211 PolarHBondContact O-N 3.03Å
135T98.7Very high95.4Very high1 Ų153.6 Ų53.61%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-116.3132165.3-52.60000109.4I123 F126 H127 H130 Y179 L180 Y211 M213I123-T135 HydrophobicContact CG2-CG2 4.2Å; F126-T135 HydrophobicContact CD1-CG2 3.65Å; F126-T135 HydrophobicContact CE1-CG2 3.94Å; H127-T135 WeakPolarHBondContact CA-OG1 3.33Å; H127-T135 VanDerWaalsContact CB-OG1 3.31Å; H127-T135 WeakPolarHBondContact CB-OG1 3.42Å; H127-T135 PolarHBondContact ND1-OG1 2.85Å; H130-T135 PolarHBondContact NE2-OG1 3.35Å; T135-Y179 CarbonylContact O-C 3.43Å; T135-Y179 WeakPolarHBondContact O-CA 3.41Å; T135-L180 PolarHBondContact N-O 2.83Å; T135-L180 PolarHBondContact O-N 3.37Å; T135-Y211 CarbonylContact C-O 3.53Å; T135-Y211 VanDerWaalsContact CA-O 3.24Å; T135-Y211 WeakPolarHBondContact CA-O 3.44Å; T135-M213 HydrophobicContact CG2-CB 4.44Å
136I98.2Very high94.9Very high0 Ų056.6 Ų56.60%029%0.287CS..EExtended strand (participates in β ladder)trans-113.2139.4169.663.8174.6000110.6V138 V150 V159 F162 Y179 F201 L210 Y211 C212 M213I136-V138 HydrophobicContact CD1-CG1 4.4Å; I136-V138 HydrophobicContact CG1-CG1 4.34Å; I136-V150 HydrophobicContact CD1-CG1 4.04Å; I136-V150 HydrophobicContact CD1-CG2 3.78Å; I136-V159 HydrophobicContact CD1-CG2 4.36Å; I136-F162 HydrophobicContact CD1-CD2 3.9Å; I136-F162 HydrophobicContact CD1-CE2 3.9Å; I136-Y179 HydrophobicContact CB-CD1 4.01Å; I136-Y179 HydrophobicContact CB-CE1 4.5Å; I136-Y179 HydrophobicContact CG2-CD1 3.63Å; I136-Y179 HydrophobicContact CG2-CE1 4.23Å; I136-Y179 HydrophobicContact CG2-CG 4.37Å; I136-F201 HydrophobicContact CG2-CD1 4.39Å; I136-F201 HydrophobicContact CG2-CE1 3.81Å; I136-F201 HydrophobicContact CG2-CE2 3.98Å; I136-F201 HydrophobicContact CG2-CZ 3.58Å; I136-L210 HydrophobicContact CD1-CD2 4.24Å; I136-L210 HydrophobicContact CG2-CD1 3.9Å; I136-Y211 PolarHBondContact N-O 3.44Å; I136-C212 HydrophobicContact CD1-CB 4.39Å; I136-C212 HydrophobicContact CG1-CB 3.64Å; I136-C212 CarbonylContact O-C 3.57Å; I136-C212 WeakPolarHBondContact O-CA 3.45Å; I136-C212 VanDerWaalsContact O-CB 3.31Å; I136-C212 WeakPolarHBondContact O-CB 3.4Å; I136-M213 PolarHBondContact O-N 3.18Å
137L98.1Very high94.6Very high2 Ų256.2 Ų56.21%0.0129%0.285CS..EExtended strand (participates in β ladder)trans-79.4135.3171.5-167.371.8000109.1P119 I123 A176 I178 M213 L215P119-L137 HydrophobicContact CG-CD1 4.17Å; I123-L137 HydrophobicContact CD1-CD1 4.16Å; I123-L137 HydrophobicContact CG1-CD1 4.33Å; L137-A176 HydrophobicContact CB-CB 4.07Å; L137-A176 HydrophobicContact CD2-CB 4.12Å; L137-A176 HydrophobicContact CG-CB 4.05Å; L137-A176 VanDerWaalsContact O-CB 3.27Å; L137-A176 WeakPolarHBondContact O-CB 3.18Å; L137-A176 PolarHBondContact O-N 2.9Å; L137-I178 HydrophobicContact CB-CB 4.03Å; L137-I178 WeakPolarHBondContact CB-O 3.28Å; L137-I178 HydrophobicContact CD2-CB 4.09Å; L137-I178 HydrophobicContact CD2-CD1 3.91Å; L137-I178 HydrophobicContact CD2-CG1 4.43Å; L137-I178 PolarHBondContact N-O 2.85Å; L137-M213 WeakPolarHBondContact CA-O 3.29Å; L137-M213 HydrophobicContact CD1-CE 3.68Å; L137-M213 WeakPolarHBondContact CD1-O 3.36Å; L137-L215 HydrophobicContact CD1-CB 4.12Å; L137-L215 HydrophobicContact CD1-CD1 4.41Å; L137-L215 HydrophobicContact CD2-CB 4.33Å; L137-L215 HydrophobicContact CD2-CD1 4.14Å; L137-L215 HydrophobicContact CD2-CD2 4.15Å; L137-L215 HydrophobicContact CD2-CG 4.46Å; L137-L215 HydrophobicContact CG-CB 4.15Å
138V97.7Very high94.3Very high0 Ų056 Ų560%028%0.284CS..EExtended strand (participates in β ladder)trans-121.7148.4176.3-62.20000111.4I136 V150 Y152 I174 C212 M213 T214 L215I136-V138 HydrophobicContact CD1-CG1 4.4Å; I136-V138 HydrophobicContact CG1-CG1 4.34Å; V138-V150 HydrophobicContact CG1-CB 3.84Å; V138-V150 HydrophobicContact CG1-CG1 4.06Å; V138-V150 HydrophobicContact CG1-CG2 3.64Å; V138-Y152 HydrophobicContact CG2-CE1 4.12Å; V138-I174 CarbonylContact C-O 3.55Å; V138-I174 WeakPolarHBondContact CA-O 3.44Å; V138-I174 WeakPolarHBondContact CB-O 3.24Å; V138-C212 HydrophobicContact CG1-CB 3.77Å; V138-C212 HydrophobicContact CG2-CB 4.26Å; V138-M213 PolarHBondContact N-O 3.37Å; V138-T214 WeakPolarHBondContact CG2-OG1 3.37Å; V138-T214 WeakPolarHBondContact O-CA 3.37Å; V138-L215 WeakPolarHBondContact O-CB 3.37Å; V138-L215 PolarHBondContact O-N 2.88Å
139T96.7Very high94.2Very high11 Ų1147.4 Ų47.47%0.06725%0.247CC..EExtended strand (participates in β ladder)trans-132.4163.5174.5-170.10000110.6V141 K173 I174 A176 W219T139-V141 HydrophobicContact CG2-CG1 4.21Å; T139-K173 CarbonylContact O-C 3.58Å; T139-K173 WeakPolarHBondContact O-CA 3.32Å; T139-I174 HydrophobicContact CG2-CD1 3.85Å; T139-I174 HydrophobicContact CG2-CG1 3.63Å; T139-I174 PolarHBondContact N-O 3.38Å; T139-I174 PolarHBondContact O-N 3.39Å; T139-A176 HydrophobicContact CG2-CB 4.26Å; T139-W219 HydrophobicContact CG2-CB 4.22Å; T139-W219 HydrophobicContact CG2-CD2 3.6Å; T139-W219 HydrophobicContact CG2-CE3 3.82Å; T139-W219 HydrophobicContact CG2-CG 3.78Å; T139-W219 HydrophobicContact CG2-CZ3 4.4Å
140Q94.6Very high94.2Very high111 Ų11140.9 Ų40.952%0.51921%0.213SC..EExtended strand (participates in β ladder)trans-99.1131.3175.2-172.1171-27.500110.5N172 K173Q140-N172 WeakPolarHBondContact CA-O 3.13Å; Q140-N172 HydrophobicContact CG-CB 4.37Å; Q140-N172 PolarHBondContact NE2-ND2 3.33Å; Q140-K173 HydrophobicContact CB-CD 3.9Å; Q140-K173 HydrophobicContact CG-CD 4.25Å
141V92.3Very high94.1Very high27 Ų2742.3 Ų42.316%0.16422%0.223CC..  trans-129.8154.5176.3-620000110.7T139 P144 Y147 N172 I174 W219T139-V141 HydrophobicContact CG2-CG1 4.21Å; V141-P144 HydrophobicContact CG2-CB 4.12Å; V141-Y147 HydrophobicContact CG2-CD2 4.42Å; V141-N172 PolarHBondContact N-O 3.13Å; V141-N172 WeakPolarHBondContact O-CB 3.44Å; V141-I174 HydrophobicContact CG1-CD1 3.68Å; V141-I174 HydrophobicContact CG1-CG1 3.9Å; V141-I174 HydrophobicContact CG2-CB 4.37Å; V141-I174 HydrophobicContact CG2-CD1 4.08Å; V141-I174 HydrophobicContact CG2-CG1 3.9Å; V141-I174 HydrophobicContact CG2-CG2 3.58Å; V141-W219 HydrophobicContact CG1-CE3 4.35Å; V141-W219 HydrophobicContact CG1-CZ3 4.09Å
142E87.8Confident94.2Very high188 Ų18840.7 Ų40.788%0.87920%0.2SC*.SBendtrans-71.4-39175.7-67.3175173.800111.8P144E142-P144 WeakPolarHBondContact O-CD 3.34Å
143E87.4Confident94.2Very high110 Ų11039.4 Ų39.451%0.51420%0.197SC..  trans-116.892.7-177.1-177.353.4-112.200110.8S145E143-S145 WeakPolarHBondContact OE1-CB 3.36Å; E143-S145 PolarHBondContact OE1-N 2.7Å; E143-S145 PolarHBondContact OE1-OG 2.58Å
144P87.4Confident94Very high9 Ų945.6 Ų45.66%0.05823%0.225CC..  trans-83.6-12.2-173.732.8-35.9000114.4V141 E142 K146 Y147 V149 F169 G171 I174V141-P144 HydrophobicContact CG2-CB 4.12Å; E142-P144 WeakPolarHBondContact O-CD 3.34Å; P144-K146 PolarHBondContact O-N 2.88Å; P144-Y147 PolarHBondContact O-N 2.9Å; P144-V149 HydrophobicContact CB-CG2 3.96Å; P144-F169 HydrophobicContact CG-CD2 4.01Å; P144-F169 HydrophobicContact CG-CE2 3.96Å; P144-G171 WeakPolarHBondContact CB-O 3.18Å; P144-G171 WeakPolarHBondContact CG-O 3.38Å; P144-I174 HydrophobicContact CB-CG2 3.72Å
145S87.5Confident93.8Very high55 Ų5550.1 Ų50.139%0.38526%0.262SS..THydrogen-bonded Turntrans-57-23.5-170.257.30000115.2E143 Y147E143-S145 WeakPolarHBondContact OE1-CB 3.36Å; E143-S145 PolarHBondContact OE1-N 2.7Å; E143-S145 PolarHBondContact OE1-OG 2.58Å; S145-Y147 VanDerWaalsContact C-N 3.34Å
146K86.3Confident93.7Very high124 Ų12453.2 Ų53.254%0.53928%0.282SS..THydrogen-bonded Turntrans-84.4-7-179.8-62.1176.4-174.7170.20113.7P144 K165P144-K146 PolarHBondContact O-N 2.88Å; K146-K165 WeakPolarHBondContact O-CE 3.43Å
147Y91.9Very high93.6Very high42 Ų4253.6 Ų53.617%0.16529%0.285CS..SBendtrans-129.8166.4-167.6-51.7-76.5000112.1V141 P144 S145 K165 I174 W219V141-Y147 HydrophobicContact CG2-CD2 4.42Å; P144-Y147 PolarHBondContact O-N 2.9Å; S145-Y147 VanDerWaalsContact C-N 3.34Å; Y147-K165 WeakPolarHBondContact O-CA 3.3Å; Y147-K165 PolarHBondContact O-N 3.06Å; Y147-K165 VanDerWaalsContact O-N 3.09Å; Y147-I174 HydrophobicContact CD1-CD1 3.94Å; Y147-I174 HydrophobicContact CD2-CD1 3.68Å; Y147-I174 HydrophobicContact CD2-CG2 4.35Å; Y147-I174 HydrophobicContact CE1-CD1 4.45Å; Y147-I174 HydrophobicContact CE2-CD1 4.2Å; Y147-I174 HydrophobicContact CG-CB 4.42Å; Y147-I174 HydrophobicContact CG-CD1 3.52Å; Y147-I174 HydrophobicContact CG-CG2 4.42Å; Y147-W219 HydrophobicContact CD1-CH2 4.28Å; Y147-W219 AromaticContact CE1-CH2 3.74Å; Y147-W219 HydrophobicContact CE1-CH2 3.74Å; Y147-W219 AromaticContact CZ-CH2 3.94Å
148G93.2Very high93.6Very high3 Ų356.9 Ų56.93%0.03130%0.298CS..EExtended strand (participates in β ladder)trans-75.3124.3169.400000111V163 E164 I174 N175G148-V163 CarbonylContact C-O 3.5Å; G148-V163 WeakPolarHBondContact CA-O 3.36Å; G148-E164 VanDerWaalsContact CA-OE2 3.28Å; G148-E164 WeakPolarHBondContact CA-OE2 3.25Å; G148-E164 PolarHBondContact N-OE2 3.42Å; G148-I174 CarbonylContact O-C 3.55Å; G148-I174 WeakPolarHBondContact O-CA 3.22Å; G148-N175 PolarHBondContact O-N 3.49Å
149V95.5Very high93.7Very high0 Ų056.9 Ų56.90%030%0.298CS..EExtended strand (participates in β ladder)trans-89137178176.60000110P144 V163 P166 V170 K173 I174P144-V149 HydrophobicContact CB-CG2 3.96Å; V149-V163 PolarHBondContact N-O 2.95Å; V149-V163 PolarHBondContact O-N 2.83Å; V149-P166 HydrophobicContact CB-CG 4.19Å; V149-P166 HydrophobicContact CG2-CG 3.6Å; V149-V170 HydrophobicContact CG1-CB 4.04Å; V149-V170 HydrophobicContact CG1-CG1 4.07Å; V149-K173 WeakPolarHBondContact CA-O 3.27Å; V149-I174 HydrophobicContact CG2-CG2 4.38Å
150V97Very high93.7Very high5 Ų560.1 Ų60.13%0.0331%0.314CS..EExtended strand (participates in β ladder)trans-115.2119.4-177.5-170.60000109.4I136 V138 Y152 V159 F162 K173 C212I136-V150 HydrophobicContact CD1-CG1 4.04Å; I136-V150 HydrophobicContact CD1-CG2 3.78Å; V138-V150 HydrophobicContact CG1-CB 3.84Å; V138-V150 HydrophobicContact CG1-CG1 4.06Å; V138-V150 HydrophobicContact CG1-CG2 3.64Å; V150-Y152 HydrophobicContact CB-CD1 4.43Å; V150-Y152 HydrophobicContact CG1-CD1 3.99Å; V150-V159 HydrophobicContact CG1-CB 4.38Å; V150-V159 HydrophobicContact CG1-CG1 3.75Å; V150-V159 HydrophobicContact CG1-CG2 3.75Å; V150-F162 HydrophobicContact CG2-CD2 3.89Å; V150-F162 HydrophobicContact CG2-CE2 3.86Å; V150-K173 PolarHBondContact N-O 3.36Å; V150-C212 HydrophobicContact CG1-CB 4.41Å
151V96.7Very high93.7Very high55 Ų5562.5 Ų62.533%0.33332%0.319SS..EExtended strand (participates in β ladder)trans-103.3123.8172.3-175.50000107.7D160 R161 V170V151-D160 PolarHBondContact O-N 3.26Å; V151-R161 HydrophobicContact CB-CB 4.17Å; V151-R161 PolarHBondContact N-O 3.48Å; V151-R161 PolarHBondContact O-N 3.35Å; V151-V170 HydrophobicContact CG2-CG1 3.64Å
152Y97.8Very high93.9Very high20 Ų2061.6 Ų61.68%0.07831%0.312CS..EExtended strand (participates in β ladder)trans-150.6154.5-171.464.1-86.7000112.4V138 V150 Q154 R158 K173 C212 T214V138-Y152 HydrophobicContact CG2-CE1 4.12Å; V150-Y152 HydrophobicContact CB-CD1 4.43Å; V150-Y152 HydrophobicContact CG1-CD1 3.99Å; Y152-Q154 PolarHBondContact O-N 3.46Å; Y152-Q154 PolarHBondContact OH-NE2 3.13Å; Y152-R158 CarbonylContact C-O 3.49Å; Y152-R158 WeakPolarHBondContact CA-O 3.45Å; Y152-R158 WeakPolarHBondContact CB-O 3.15Å; Y152-K173 HydrophobicContact CE1-CB 4.02Å; Y152-K173 HydrophobicContact CE1-CG 4.06Å; Y152-C212 VanDerWaalsContact CB-SG 3.58Å; Y152-C212 WeakPolarHBondContact CD1-SG 3.38Å; Y152-C212 WeakPolarHBondContact CD2-SG 3.5Å; Y152-T214 PolarHBondContact OH-OG1 3.49Å
153D96.8Very high94.2Very high54 Ų5453.8 Ų53.829%0.28928%0.278SS..  trans-68.2116.5172.7176.6-86.1000109.9A155 T156 G157 R158D153-A155 VanDerWaalsContact C-N 3.25Å; D153-A155 PolarHBondContact O-N 2.98Å; D153-A155 PolarHBondContact OD1-N 2.72Å; D153-A155 VanDerWaalsContact OD1-N 3.13Å; D153-T156 PolarHBondContact O-N 2.65Å; D153-T156 WeakPolarHBondContact OD1-CB 3.45Å; D153-T156 WeakPolarHBondContact OD1-CG2 3.45Å; D153-T156 PolarHBondContact OD1-N 2.93Å; D153-T156 PolarHBondContact OD1-OG1 3.07Å; D153-G157 VanDerWaalsContact O-CA 3.25Å; D153-G157 WeakPolarHBondContact O-CA 3.41Å; D153-G157 PolarHBondContact O-N 3.16Å; D153-R158 PolarHBondContact N-O 3.33Å
154Q93.4Very high94.5Very high140 Ų14050.3 Ų50.365%0.65426%0.262SS*.THydrogen-bonded Turntrans-67.7-23.7-174.4-64-65.3-46.900113.4Y152Y152-Q154 PolarHBondContact O-N 3.46Å; Y152-Q154 PolarHBondContact OH-NE2 3.13Å
155A94.6Very high94.6Very high95 Ų9555.3 Ų55.379%0.78528%0.282SS*.THydrogen-bonded Turntrans-79.6-34.6-177.500000112.1D153D153-A155 VanDerWaalsContact C-N 3.25Å; D153-A155 PolarHBondContact O-N 2.98Å; D153-A155 PolarHBondContact OD1-N 2.72Å; D153-A155 VanDerWaalsContact OD1-N 3.13Å
156T96.3Very high94.5Very high67 Ų6753.5 Ų53.541%0.41127%0.269SS..THydrogen-bonded Turntrans-111.5-21.4-173.962.10000113.6D153 R158D153-T156 PolarHBondContact O-N 2.65Å; D153-T156 WeakPolarHBondContact OD1-CB 3.45Å; D153-T156 WeakPolarHBondContact OD1-CG2 3.45Å; D153-T156 PolarHBondContact OD1-N 2.93Å; D153-T156 PolarHBondContact OD1-OG1 3.07Å; T156-R158 VanDerWaalsContact C-N 3.25Å; T156-R158 PolarHBondContact O-N 3.46Å; T156-R158 WeakPolarHBondContact OG1-CB 3.47Å; T156-R158 PolarHBondContact OG1-N 3.47Å
157G97.3Very high94.5Very high8 Ų856.1 Ų56.18%0.08229%0.287CS..  trans74.19.5-169.500000113.8D153 V159 Y211 C212D153-G157 VanDerWaalsContact O-CA 3.25Å; D153-G157 WeakPolarHBondContact O-CA 3.41Å; D153-G157 PolarHBondContact O-N 3.16Å; G157-V159 PolarHBondContact O-N 3.2Å; G157-Y211 CarbonylContact O-C 3.53Å; G157-Y211 VanDerWaalsContact O-CA 3.26Å; G157-Y211 WeakPolarHBondContact O-CA 3.22Å; G157-C212 PolarHBondContact O-N 3.3Å
158R98.4Very high94.3Very high71 Ų7161.8 Ų61.827%0.26832%0.315SS..BIsolated β-bridgetrans-66.9127.8176.4-174.6-170.268.8-131.7-5110Y152 D153 T156 D160 Y211Y152-R158 CarbonylContact C-O 3.49Å; Y152-R158 WeakPolarHBondContact CA-O 3.45Å; Y152-R158 WeakPolarHBondContact CB-O 3.15Å; D153-R158 PolarHBondContact N-O 3.33Å; T156-R158 VanDerWaalsContact C-N 3.25Å; T156-R158 PolarHBondContact O-N 3.46Å; T156-R158 WeakPolarHBondContact OG1-CB 3.47Å; T156-R158 PolarHBondContact OG1-N 3.47Å; R158-D160 IonicContact CZ-OD1 2.83Å; R158-D160 IonicContact NE-OD1 2.62Å; R158-D160 PolarHBondContact NE-OD1 3.32Å; R158-D160 IonicContact NH2-OD1 3.56Å; R158-D160 PolarHBondContact NH2-OD1 3.43Å; R158-D160 PolarHBondContact O-N 3.09Å; R158-Y211 HydrophobicContact CB-CD1 4.16Å; R158-Y211 HydrophobicContact CB-CE1 3.72Å; R158-Y211 HydrophobicContact CB-CE2 4.26Å; R158-Y211 HydrophobicContact CG-CE1 4.34Å; R158-Y211 HydrophobicContact CG-CE2 3.99Å
159V98.4Very high94.1Very high0 Ų068.9 Ų68.90%035%0.345CS..EExtended strand (participates in β ladder)trans-77119.4176.3-178.10000109.4I136 V150 G157 A205 L210 C212I136-V159 HydrophobicContact CD1-CG2 4.36Å; V150-V159 HydrophobicContact CG1-CB 4.38Å; V150-V159 HydrophobicContact CG1-CG1 3.75Å; V150-V159 HydrophobicContact CG1-CG2 3.75Å; G157-V159 PolarHBondContact O-N 3.2Å; V159-A205 HydrophobicContact CB-CB 4.36Å; V159-A205 HydrophobicContact CG1-CB 3.88Å; V159-L210 HydrophobicContact CB-CB 4.19Å; V159-L210 HydrophobicContact CB-CD2 4.28Å; V159-L210 HydrophobicContact CB-CG 4.21Å; V159-L210 WeakPolarHBondContact CB-O 3.45Å; V159-L210 HydrophobicContact CG1-CD2 4.25Å; V159-L210 HydrophobicContact CG2-CB 4.43Å; V159-L210 HydrophobicContact CG2-CD2 4.3Å; V159-L210 HydrophobicContact CG2-CG 4.02Å; V159-L210 PolarHBondContact N-O 3.5Å; V159-C212 HydrophobicContact CG2-CB 3.84Å
160D97.2Very high93.6Very high78 Ų7871.7 Ų71.742%0.41736%0.363SS..EExtended strand (participates in β ladder)trans-87.4-35175.8-63.1-41.3000110.9V151 R158V151-D160 PolarHBondContact O-N 3.26Å; R158-D160 IonicContact CZ-OD1 2.83Å; R158-D160 IonicContact NE-OD1 2.62Å; R158-D160 PolarHBondContact NE-OD1 3.32Å; R158-D160 IonicContact NH2-OD1 3.56Å; R158-D160 PolarHBondContact NH2-OD1 3.43Å; R158-D160 PolarHBondContact O-N 3.09Å
161R95.6Very high93.3Very high161 Ų16172.3 Ų72.361%0.60837%0.37SS*.EExtended strand (participates in β ladder)trans-150.9138177.1-163.9177.9176.6178-2.8111.7V151 V163V151-R161 HydrophobicContact CB-CB 4.17Å; V151-R161 PolarHBondContact N-O 3.48Å; V151-R161 PolarHBondContact O-N 3.35Å; R161-V163 HydrophobicContact CG-CG2 3.79Å
162F96.6Very high93.2Very high8 Ų872.2 Ų72.24%0.03537%0.368CS..EExtended strand (participates in β ladder)trans-111.5127.7168.2-169.2-76.6000108.8I136 V150 E164 N175 E197 F201 P202I136-F162 HydrophobicContact CD1-CD2 3.9Å; I136-F162 HydrophobicContact CD1-CE2 3.9Å; V150-F162 HydrophobicContact CG2-CD2 3.89Å; V150-F162 HydrophobicContact CG2-CE2 3.86Å; F162-E164 HydrophobicContact CE1-CB 4.38Å; F162-N175 HydrophobicContact CE2-CB 4Å; F162-N175 HydrophobicContact CZ-CB 3.99Å; F162-E197 VanDerWaalsContact CD1-O 3.27Å; F162-E197 WeakPolarHBondContact CD1-O 3.34Å; F162-E197 HydrophobicContact CE1-CB 3.73Å; F162-E197 HydrophobicContact CE1-CG 4.37Å; F162-E197 VanDerWaalsContact CE1-O 3.28Å; F162-E197 WeakPolarHBondContact CE1-O 3.39Å; F162-E197 HydrophobicContact CZ-CB 4.04Å; F162-E197 HydrophobicContact CZ-CG 4.17Å; F162-F201 HydrophobicContact CB-CB 4.29Å; F162-F201 HydrophobicContact CD1-CB 4.23Å; F162-F201 HydrophobicContact CD2-CB 3.97Å; F162-F201 HydrophobicContact CD2-CD2 4.23Å; F162-F201 HydrophobicContact CD2-CG 4.47Å; F162-F201 HydrophobicContact CE2-CB 4.38Å; F162-F201 AromaticContact CE2-CD2 3.82Å; F162-F201 HydrophobicContact CE2-CD2 3.82Å; F162-F201 HydrophobicContact CE2-CG 4.49Å; F162-F201 HydrophobicContact CG-CB 3.89Å; F162-F201 HydrophobicContact CZ-CD2 4.02Å; F162-P202 HydrophobicContact CB-CG 4.42Å; F162-P202 HydrophobicContact CD1-CG 4.3Å
163V93.4Very high93.1Very high25 Ų2573.2 Ų73.215%0.15237%0.372CS..EExtended strand (participates in β ladder)trans-128.5106.6-177.7-168.60000110G148 V149 R161 K165 P166 V170G148-V163 CarbonylContact C-O 3.5Å; G148-V163 WeakPolarHBondContact CA-O 3.36Å; V149-V163 PolarHBondContact N-O 2.95Å; V149-V163 PolarHBondContact O-N 2.83Å; R161-V163 HydrophobicContact CG-CG2 3.79Å; V163-K165 PolarHBondContact O-N 2.87Å; V163-P166 HydrophobicContact CG1-CB 3.81Å; V163-P166 HydrophobicContact CG1-CG 4.47Å; V163-V170 HydrophobicContact CG2-CG1 4.25Å
164E94Very high93.1Very high37 Ų3770.7 Ų70.717%0.17336%0.359CS..EExtended strand (participates in β ladder)trans-72.8120.3179.3177.562.8-174.900111.7G148 F162 E197 K198G148-E164 VanDerWaalsContact CA-OE2 3.28Å; G148-E164 WeakPolarHBondContact CA-OE2 3.25Å; G148-E164 PolarHBondContact N-OE2 3.42Å; F162-E164 HydrophobicContact CE1-CB 4.38Å; E164-E197 HydrophobicContact CB-CB 4.35Å; E164-E197 HydrophobicContact CG-CB 4.23Å; E164-E197 WeakPolarHBondContact OE2-CB 3.43Å; E164-K198 HydrophobicContact CB-CG 3.96Å; E164-K198 HydrophobicContact CG-CD 4.48Å; E164-K198 HydrophobicContact CG-CG 3.77Å
165K89.2Confident93.3Very high114 Ų11464.5 Ų64.550%0.49633%0.33SS..SBendtrans4662.2173-68.3168.4-178.2127.60113.1K146 Y147 V163K146-K165 WeakPolarHBondContact O-CE 3.43Å; Y147-K165 WeakPolarHBondContact O-CA 3.3Å; Y147-K165 PolarHBondContact O-N 3.06Å; Y147-K165 VanDerWaalsContact O-N 3.09Å; V163-K165 PolarHBondContact O-N 2.87Å
166P85.6Confident93.4Very high17 Ų1760 Ų6011%0.1129%0.293CS..  trans-66.7141.9-176.631.5-35.8000110.7V149 V163 E168 V170V149-P166 HydrophobicContact CB-CG 4.19Å; V149-P166 HydrophobicContact CG2-CG 3.6Å; V163-P166 HydrophobicContact CG1-CB 3.81Å; V163-P166 HydrophobicContact CG1-CG 4.47Å; P166-E168 WeakPolarHBondContact CB-O 3.21Å; P166-V170 HydrophobicContact CB-CB 4.49Å; P166-V170 HydrophobicContact CB-CG2 3.72Å; P166-V170 HydrophobicContact CG-CB 4.4Å; P166-V170 HydrophobicContact CG-CG2 4.15Å
167I86.5Confident93.4Very high179 Ų17956.9 Ų56.992%0.91827%0.274SS*.SBendtrans-73.7-41.3174.8-59.6171.4000109.9
168E87.7Confident93.5Very high161 Ų16156.5 Ų56.575%0.75227%0.27SS*.SBendtrans-92.4150.7175.5-64.3-179.8175.100110.6P166 V170P166-E168 WeakPolarHBondContact CB-O 3.21Å; E168-V170 PolarHBondContact O-N 2.73Å
169F87.7Confident93.5Very high151 Ų15153.1 Ų53.166%0.66226%0.257SS*.  trans-66.9111.8177.4-178-92.7000110.8P144 N172P144-F169 HydrophobicContact CG-CD2 4.01Å; P144-F169 HydrophobicContact CG-CE2 3.96Å; F169-N172 HydrophobicContact CE2-CB 4.24Å; F169-N172 HydrophobicContact CZ-CB 4.15Å
170V86Confident93.5Very high60 Ų6053.2 Ų53.236%0.36426%0.257SS..  trans-98-26.6175.3178.60000111.5V149 V151 V163 P166 E168V149-V170 HydrophobicContact CG1-CB 4.04Å; V149-V170 HydrophobicContact CG1-CG1 4.07Å; V151-V170 HydrophobicContact CG2-CG1 3.64Å; V163-V170 HydrophobicContact CG2-CG1 4.25Å; P166-V170 HydrophobicContact CB-CB 4.49Å; P166-V170 HydrophobicContact CB-CG2 3.72Å; P166-V170 HydrophobicContact CG-CB 4.4Å; P166-V170 HydrophobicContact CG-CG2 4.15Å; E168-V170 PolarHBondContact O-N 2.73Å
171G91.1Very high93.6Very high17 Ų1749.5 Ų49.518%0.17524%0.238CC..  trans163.7168.1-176.100000111.4P144P144-G171 WeakPolarHBondContact CB-O 3.18Å; P144-G171 WeakPolarHBondContact CG-O 3.38Å
172N93.2Very high93.7Very high54 Ų5443.6 Ų43.629%0.28922%0.218SC..SBendtrans-106.13.7-177.767.8-0.4000113.7Q140 V141 F169Q140-N172 WeakPolarHBondContact CA-O 3.13Å; Q140-N172 HydrophobicContact CG-CB 4.37Å; Q140-N172 PolarHBondContact NE2-ND2 3.33Å; V141-N172 PolarHBondContact N-O 3.13Å; V141-N172 WeakPolarHBondContact O-CB 3.44Å; F169-N172 HydrophobicContact CE2-CB 4.24Å; F169-N172 HydrophobicContact CZ-CB 4.15Å
173K96.7Very high93.7Very high41 Ų4144 Ų4418%0.17822%0.222CC..EExtended strand (participates in β ladder)trans-91.6114.6173.8-59.6-59.7-169.7176.30108.8T139 Q140 V149 V150 Y152T139-K173 CarbonylContact O-C 3.58Å; T139-K173 WeakPolarHBondContact O-CA 3.32Å; Q140-K173 HydrophobicContact CB-CD 3.9Å; Q140-K173 HydrophobicContact CG-CD 4.25Å; V149-K173 WeakPolarHBondContact CA-O 3.27Å; V150-K173 PolarHBondContact N-O 3.36Å; Y152-K173 HydrophobicContact CE1-CB 4.02Å; Y152-K173 HydrophobicContact CE1-CG 4.06Å
174I96.8Very high93.8Very high0 Ų045.5 Ų45.50%023%0.233CC..EExtended strand (participates in β ladder)trans-111.7158.8-175.763.3146.2000111.7V138 T139 V141 P144 Y147 G148 V149 A176 W219V138-I174 CarbonylContact C-O 3.55Å; V138-I174 WeakPolarHBondContact CA-O 3.44Å; V138-I174 WeakPolarHBondContact CB-O 3.24Å; T139-I174 HydrophobicContact CG2-CD1 3.85Å; T139-I174 HydrophobicContact CG2-CG1 3.63Å; T139-I174 PolarHBondContact N-O 3.38Å; T139-I174 PolarHBondContact O-N 3.39Å; V141-I174 HydrophobicContact CG1-CD1 3.68Å; V141-I174 HydrophobicContact CG1-CG1 3.9Å; V141-I174 HydrophobicContact CG2-CB 4.37Å; V141-I174 HydrophobicContact CG2-CD1 4.08Å; V141-I174 HydrophobicContact CG2-CG1 3.9Å; V141-I174 HydrophobicContact CG2-CG2 3.58Å; P144-I174 HydrophobicContact CB-CG2 3.72Å; Y147-I174 HydrophobicContact CD1-CD1 3.94Å; Y147-I174 HydrophobicContact CD2-CD1 3.68Å; Y147-I174 HydrophobicContact CD2-CG2 4.35Å; Y147-I174 HydrophobicContact CE1-CD1 4.45Å; Y147-I174 HydrophobicContact CE2-CD1 4.2Å; Y147-I174 HydrophobicContact CG-CB 4.42Å; Y147-I174 HydrophobicContact CG-CD1 3.52Å; Y147-I174 HydrophobicContact CG-CG2 4.42Å; G148-I174 CarbonylContact O-C 3.55Å; G148-I174 WeakPolarHBondContact O-CA 3.22Å; V149-I174 HydrophobicContact CG2-CG2 4.38Å; I174-A176 PolarHBondContact O-N 2.98Å; I174-W219 HydrophobicContact CD1-CH2 3.64Å; I174-W219 HydrophobicContact CD1-CZ2 4.12Å; I174-W219 HydrophobicContact CD1-CZ3 3.96Å
175N97.3Very high94Very high11 Ų1143.8 Ų43.86%0.05923%0.225CC..EExtended strand (participates in β ladder)trans-59.1121.5164.8177.66.6000110.7G148 F162 G177 Y179G148-N175 PolarHBondContact O-N 3.49Å; F162-N175 HydrophobicContact CE2-CB 4Å; F162-N175 HydrophobicContact CZ-CB 3.99Å; N175-G177 PolarHBondContact OD1-N 2.87Å; N175-Y179 PolarHBondContact ND2-OH 2.91Å; N175-Y179 WeakPolarHBondContact OD1-CE1 3.32Å
176A96.9Very high94.3Very high0 Ų038.5 Ų38.50%020%0.202CC..EExtended strand (participates in β ladder)trans-86.1-1.1179.700000114.2I114 L137 T139 I174 W219I114-A176 WeakPolarHBondContact CG2-O 3.27Å; L137-A176 HydrophobicContact CB-CB 4.07Å; L137-A176 HydrophobicContact CD2-CB 4.12Å; L137-A176 HydrophobicContact CG-CB 4.05Å; L137-A176 VanDerWaalsContact O-CB 3.27Å; L137-A176 WeakPolarHBondContact O-CB 3.18Å; L137-A176 PolarHBondContact O-N 2.9Å; T139-A176 HydrophobicContact CG2-CB 4.26Å; I174-A176 PolarHBondContact O-N 2.98Å; A176-W219 PolarHBondContact O-NE1 3.09Å
177G96.9Very high94.8Very high1 Ų143.5 Ų43.51%0.0123%0.228CC..EExtended strand (participates in β ladder)trans77.323.2177.400000115L110 N111 N175L110-G177 WeakPolarHBondContact CA-O 3.28Å; N111-G177 PolarHBondContact N-O 3.41Å; N175-G177 PolarHBondContact OD1-N 2.87Å
178I98.5Very high95.3Very high0 Ų038.1 Ų38.10%020%0.196CC..EExtended strand (participates in β ladder)trans-133.3124.5177.6-60.8177000108.9L110 I114 C116 F118 F120 I123 L137L110-I178 HydrophobicContact CD2-CG1 4.27Å; L110-I178 HydrophobicContact CG-CG1 4.31Å; L110-I178 HydrophobicContact CG-CG2 4.36Å; I114-I178 HydrophobicContact CG2-CD1 4.2Å; I114-I178 HydrophobicContact CG2-CG1 4.41Å; C116-I178 VanDerWaalsContact SG-CD1 3.55Å; F118-I178 HydrophobicContact CD1-CD1 3.95Å; F118-I178 HydrophobicContact CE1-CD1 4.18Å; F120-I178 HydrophobicContact CD1-CG2 4.45Å; F120-I178 HydrophobicContact CE1-CG2 3.87Å; I123-I178 HydrophobicContact CD1-CG2 3.96Å; L137-I178 HydrophobicContact CB-CB 4.03Å; L137-I178 WeakPolarHBondContact CB-O 3.28Å; L137-I178 HydrophobicContact CD2-CB 4.09Å; L137-I178 HydrophobicContact CD2-CD1 3.91Å; L137-I178 HydrophobicContact CD2-CG1 4.43Å; L137-I178 PolarHBondContact N-O 2.85Å
179Y98.5Very high95.7Very high1 Ų131 Ų310%0.00416%0.163CC..EExtended strand (participates in β ladder)trans-130.3149.5-173.1-36.9-47.8000110.7F108 V109 T135 I136 N175 I196 F201F108-Y179 CarbonylContact C-O 3.57Å; F108-Y179 VanDerWaalsContact CA-O 3.25Å; F108-Y179 WeakPolarHBondContact CA-O 3.36Å; F108-Y179 WeakPolarHBondContact CD1-O 3.35Å; V109-Y179 HydrophobicContact CB-CD2 3.77Å; V109-Y179 HydrophobicContact CB-CG 4.45Å; V109-Y179 HydrophobicContact CG1-CD2 3.77Å; V109-Y179 HydrophobicContact CG1-CE2 4.25Å; V109-Y179 PolarHBondContact N-O 2.85Å; V109-Y179 PolarHBondContact O-N 2.91Å; T135-Y179 CarbonylContact O-C 3.43Å; T135-Y179 WeakPolarHBondContact O-CA 3.41Å; I136-Y179 HydrophobicContact CB-CD1 4.01Å; I136-Y179 HydrophobicContact CB-CE1 4.5Å; I136-Y179 HydrophobicContact CG2-CD1 3.63Å; I136-Y179 HydrophobicContact CG2-CE1 4.23Å; I136-Y179 HydrophobicContact CG2-CG 4.37Å; N175-Y179 PolarHBondContact ND2-OH 2.91Å; N175-Y179 WeakPolarHBondContact OD1-CE1 3.32Å; Y179-I196 HydrophobicContact CD2-CD1 4.35Å; Y179-I196 HydrophobicContact CE2-CG2 4.22Å; Y179-F201 HydrophobicContact CD1-CE2 4.15Å; Y179-F201 AromaticContact CD1-CZ 3.81Å; Y179-F201 HydrophobicContact CD1-CZ 3.81Å; Y179-F201 HydrophobicContact CD2-CE2 4.46Å; Y179-F201 AromaticContact CD2-CZ 3.89Å; Y179-F201 HydrophobicContact CD2-CZ 3.89Å; Y179-F201 AromaticContact CE1-CE2 3.8Å; Y179-F201 HydrophobicContact CE1-CE2 3.8Å; Y179-F201 AromaticContact CE1-CZ 3.93Å; Y179-F201 HydrophobicContact CE1-CZ 3.93Å; Y179-F201 HydrophobicContact CE2-CE2 4.16Å; Y179-F201 HydrophobicContact CE2-CZ 4.04Å; Y179-F201 AromaticContact CG-CZ 3.82Å; Y179-F201 HydrophobicContact CG-CZ 3.82Å; Y179-F201 AromaticContact CZ-CE2 3.83Å
180L98.6Very high96.1Very high1 Ų126 Ų261%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-123.8115.7164.4-177.860.3000107.9P106 F108 I123 M124 H127 G134 T135P106-L180 HydrophobicContact CB-CD1 3.88Å; P106-L180 HydrophobicContact CB-CG 4.21Å; P106-L180 HydrophobicContact CG-CD1 4.48Å; F108-L180 HydrophobicContact CD1-CB 4.15Å; F108-L180 HydrophobicContact CD1-CD1 4Å; F108-L180 HydrophobicContact CD2-CD1 4.15Å; F108-L180 HydrophobicContact CE1-CB 4.07Å; F108-L180 HydrophobicContact CE1-CD1 4.03Å; F108-L180 HydrophobicContact CE1-CD2 4.33Å; F108-L180 HydrophobicContact CE1-CG 4.38Å; F108-L180 HydrophobicContact CE2-CD1 4.18Å; F108-L180 HydrophobicContact CG-CD1 4.07Å; F108-L180 HydrophobicContact CZ-CD1 4.12Å; F108-L180 HydrophobicContact CZ-CD2 4.33Å; I123-L180 HydrophobicContact CG2-CB 3.68Å; I123-L180 HydrophobicContact CG2-CD2 3.97Å; I123-L180 HydrophobicContact CG2-CG 4.49Å; M124-L180 HydrophobicContact CB-CD2 4.43Å; M124-L180 HydrophobicContact CG-CD2 4.03Å; H127-L180 HydrophobicContact CB-CD2 3.55Å; H127-L180 HydrophobicContact CB-CG 4.3Å; H127-L180 PolarHBondContact CE1-O 3.18Å; H127-L180 PolarHBondContact ND1-O 2.68Å; G134-L180 WeakPolarHBondContact CA-O 3.5Å; T135-L180 PolarHBondContact N-O 2.83Å; T135-L180 PolarHBondContact O-N 3.37Å
181L98.6Very high96.5Very high0 Ų029.1 Ų29.10%016%0.16CC..EExtended strand (participates in β ladder)trans-122.8142-168-56178.1000110.5I93 P106 F107 V109 V185 I196 F201I93-L181 HydrophobicContact CD1-CD1 4.33Å; P106-L181 CarbonylContact C-O 3.54Å; P106-L181 WeakPolarHBondContact CA-O 3.28Å; P106-L181 WeakPolarHBondContact CB-O 3.41Å; F107-L181 HydrophobicContact CE2-CB 4.27Å; F107-L181 HydrophobicContact CE2-CD1 4.43Å; F107-L181 HydrophobicContact CZ-CB 4.13Å; F107-L181 PolarHBondContact N-O 3.06Å; F107-L181 PolarHBondContact O-N 2.76Å; V109-L181 HydrophobicContact CB-CD1 4.42Å; V109-L181 HydrophobicContact CG2-CD1 3.86Å; L181-V185 HydrophobicContact CB-CB 4.45Å; L181-V185 HydrophobicContact CB-CG2 4.23Å; L181-V185 HydrophobicContact CD1-CG1 4.25Å; L181-V185 HydrophobicContact CD2-CG2 4.5Å; L181-I196 HydrophobicContact CD1-CD1 4.01Å; L181-F201 HydrophobicContact CD2-CE1 4.22Å
182N97.9Very high96.6Very high38 Ų3833.6 Ų33.620%0.20317%0.172CC..  trans-77.9152.4170-75.1-30.2000111H127 K132 S133 S184 V185H127-N182 PolarHBondContact NE2-OD1 2.92Å; H127-N182 VanDerWaalsContact NE2-OD1 3.11Å; K132-N182 PolarHBondContact O-ND2 3.45Å; S133-N182 PolarHBondContact O-N 2.88Å; N182-S184 PolarHBondContact O-N 2.93Å; N182-V185 WeakPolarHBondContact O-CB 3.2Å; N182-V185 WeakPolarHBondContact O-CG2 3.41Å; N182-V185 PolarHBondContact O-N 2.82Å
183P96.9Very high96.7Very high17 Ų1734.1 Ų34.111%0.1118%0.178CC..G310 helixtrans-44.2-37.3172.2-35.940000115.4L101 V185 I186L101-P183 HydrophobicContact CD2-CB 3.58Å; L101-P183 HydrophobicContact CD2-CG 4.28Å; P183-V185 PolarHBondContact O-N 2.95Å; P183-I186 WeakPolarHBondContact O-CB 3.32Å; P183-I186 WeakPolarHBondContact O-CG1 3.43Å; P183-I186 PolarHBondContact O-N 3.39Å
184S95.4Very high96.6Very high56 Ų5632.3 Ų32.339%0.39217%0.17SC..G310 helixtrans-61-16.5179.761.30000114.7N182 I186N182-S184 PolarHBondContact O-N 2.93Å; S184-I186 VanDerWaalsContact C-N 3.26Å
185V97.1Very high96.6Very high0 Ų033.4 Ų33.40%018%0.178CC..G310 helixtrans-68.3-29.5173.6176.10000111.2L181 N182 P183 D187 R188 I189 I200 M204L181-V185 HydrophobicContact CB-CB 4.45Å; L181-V185 HydrophobicContact CB-CG2 4.23Å; L181-V185 HydrophobicContact CD1-CG1 4.25Å; L181-V185 HydrophobicContact CD2-CG2 4.5Å; N182-V185 WeakPolarHBondContact O-CB 3.2Å; N182-V185 WeakPolarHBondContact O-CG2 3.41Å; N182-V185 PolarHBondContact O-N 2.82Å; P183-V185 PolarHBondContact O-N 2.95Å; V185-D187 VanDerWaalsContact C-N 3.28Å; V185-D187 PolarHBondContact O-N 3.4Å; V185-R188 WeakPolarHBondContact O-CB 3.37Å; V185-R188 PolarHBondContact O-N 3.4Å; V185-R188 VanDerWaalsContact O-N 3.09Å; V185-I189 HydrophobicContact CG1-CD1 4.28Å; V185-I200 HydrophobicContact CG1-CG2 4.19Å; V185-M204 HydrophobicContact CG1-SD 4.23Å; V185-M204 HydrophobicContact CG2-CE 3.63Å; V185-M204 HydrophobicContact CG2-SD 4.06Å
186I96.9Very high96.6Very high3 Ų332.9 Ų32.92%0.01518%0.175CC..G310 helixtrans-62.7-37.2-177.1-58.6-175.7000111.3I93 K97 L100 L101 F107 P183 S184 R188 I189I93-I186 HydrophobicContact CG2-CG1 4.06Å; K97-I186 HydrophobicContact CB-CG2 4Å; K97-I186 HydrophobicContact CD-CG2 3.8Å; K97-I186 HydrophobicContact CG-CG2 3.86Å; L100-I186 HydrophobicContact CB-CD1 3.9Å; L100-I186 HydrophobicContact CD1-CD1 4Å; L101-I186 HydrophobicContact CD1-CD1 4.43Å; L101-I186 HydrophobicContact CD2-CD1 3.74Å; L101-I186 HydrophobicContact CG-CD1 3.89Å; F107-I186 HydrophobicContact CE1-CD1 4.01Å; F107-I186 HydrophobicContact CE1-CG1 4.16Å; F107-I186 HydrophobicContact CZ-CD1 4.1Å; F107-I186 HydrophobicContact CZ-CG1 3.99Å; P183-I186 WeakPolarHBondContact O-CB 3.32Å; P183-I186 WeakPolarHBondContact O-CG1 3.43Å; P183-I186 PolarHBondContact O-N 3.39Å; S184-I186 VanDerWaalsContact C-N 3.26Å; I186-R188 PolarHBondContact O-N 2.78Å; I186-R188 VanDerWaalsContact O-N 3.14Å; I186-I189 PolarHBondContact O-N 3.22Å
187D95.4Very high96.5Very high122 Ų12233.6 Ų33.665%0.65218%0.178SC*.G310 helixtrans-69.4-11.1-179.9-62.1-33.8000113.4K97 V185K97-D187 IonicContact NZ-OD1 3.14Å; K97-D187 PolarHBondContact NZ-OD1 3.02Å; K97-D187 VanDerWaalsContact NZ-OD1 3.14Å; V185-D187 VanDerWaalsContact C-N 3.28Å; V185-D187 PolarHBondContact O-N 3.4Å
188R96.7Very high96.5Very high66 Ų6640.2 Ų40.225%0.24921%0.207CC..G310 helixtrans-85.7-15.2172.9-56.5173.8175-95.4-3.4112.7V185 I186 P190 I200 E207V185-R188 WeakPolarHBondContact O-CB 3.37Å; V185-R188 PolarHBondContact O-N 3.4Å; V185-R188 VanDerWaalsContact O-N 3.09Å; I186-R188 PolarHBondContact O-N 2.78Å; I186-R188 VanDerWaalsContact O-N 3.14Å; R188-P190 WeakPolarHBondContact O-CD 3.14Å; R188-I200 HydrophobicContact CB-CD1 4.39Å; R188-I200 HydrophobicContact CB-CG2 4.46Å; R188-I200 WeakPolarHBondContact O-CD1 3.47Å; R188-E207 IonicContact CZ-OE1 3.86Å; R188-E207 IonicContact CZ-OE2 3.18Å; R188-E207 IonicContact NH1-OE1 2.72Å; R188-E207 PolarHBondContact NH1-OE1 3.18Å; R188-E207 IonicContact NH1-OE2 2.68Å; R188-E207 PolarHBondContact NH1-OE2 3.45Å; R188-E207 IonicContact NH2-OE1 3.99Å; R188-E207 IonicContact NH2-OE2 2.65Å; R188-E207 PolarHBondContact NH2-OE2 3.36Å
189I97.3Very high96.4Very high11 Ų1143 Ų436%0.05622%0.22CC..SBendtrans-102109.1-170.7-54.7172.5000108.5A90 I93 A94 V185 I186 T194 I200A90-I189 HydrophobicContact CB-CD1 4.09Å; A90-I189 HydrophobicContact CB-CG1 4.26Å; A90-I189 HydrophobicContact CB-CG2 3.8Å; A90-I189 WeakPolarHBondContact O-CG2 3.35Å; I93-I189 HydrophobicContact CB-CD1 3.78Å; I93-I189 HydrophobicContact CD1-CD1 4.02Å; I93-I189 HydrophobicContact CG1-CD1 4.48Å; I93-I189 HydrophobicContact CG2-CD1 3.85Å; A94-I189 HydrophobicContact CB-CB 4.02Å; A94-I189 HydrophobicContact CB-CG2 3.6Å; V185-I189 HydrophobicContact CG1-CD1 4.28Å; I186-I189 PolarHBondContact O-N 3.22Å; I189-T194 HydrophobicContact CG2-CG2 4.4Å; I189-I200 HydrophobicContact CG1-CD1 4.03Å; I189-I200 HydrophobicContact CG1-CG1 4.13Å
190P95.6Very high96.4Very high48 Ų4843.1 Ų43.131%0.31222%0.221SC..  trans-67.7149.1174.430-34.2000110.2R188 R192R188-P190 WeakPolarHBondContact O-CD 3.14Å; P190-R192 HydrophobicContact CB-CG 3.95Å; P190-R192 HydrophobicContact CG-CG 3.78Å; P190-R192 PolarHBondContact O-N 3.22Å
191L93.9Very high96.3Very high124 Ų12443 Ų4365%0.64922%0.22SC*.SBendtrans-76.966.8176.8-168.767000110.8M87 A94 L95M87-L191 HydrophobicContact CE-CD1 4.3Å; A94-L191 HydrophobicContact CB-CD1 4.17Å; L95-L191 HydrophobicContact CB-CD1 4.28Å; L95-L191 HydrophobicContact CD1-CD1 4.26Å
192R94.2Very high96.3Very high112 Ų11245 Ų4542%0.42323%0.233SC..SBendtrans-149.3173.2176.163.8169.8174.174.6-2.1108.9P190 T194 E199P190-R192 HydrophobicContact CB-CG 3.95Å; P190-R192 HydrophobicContact CG-CG 3.78Å; P190-R192 PolarHBondContact O-N 3.22Å; R192-T194 PolarHBondContact NH1-OG1 3.16Å; R192-T194 PolarHBondContact O-N 2.9Å; R192-T194 VanDerWaalsContact O-N 3.11Å; R192-T194 PolarHBondContact O-OG1 3.26Å; R192-E199 IonicContact CZ-OE2 3.74Å; R192-E199 VanDerWaalsContact CZ-OE2 3.29Å; R192-E199 IonicContact NH1-OE1 2.65Å; R192-E199 IonicContact NH1-OE2 3.46Å; R192-E199 PolarHBondContact NH1-OE2 3.09Å; R192-E199 IonicContact NH2-OE2 2.73Å; R192-E199 PolarHBondContact NH2-OE2 3.09Å
193P94Very high96.3Very high64 Ų6448.1 Ų48.142%0.41625%0.246SC..SBendtrans-54.3119.4167.4-27.636.6000111.2A86 M87A86-P193 WeakPolarHBondContact O-CG 3.34Å; M87-P193 WeakPolarHBondContact O-CA 3.32Å; M87-P193 HydrophobicContact SD-CG 4.49Å
194T95.7Very high96.3Very high3 Ų347.3 Ų47.32%0.01824%0.241CC..BIsolated β-bridgetrans-145135.9-175.4-60.80000110.2M87 G88 T89 A90 G91 I189 R192 E199 I200M87-T194 PolarHBondContact O-N 2.94Å; G88-T194 CarbonylContact C-O 3.48Å; T89-T194 PolarHBondContact N-O 2.83Å; A90-T194 HydrophobicContact CB-CG2 3.71Å; A90-T194 PolarHBondContact N-O 3.32Å; G91-T194 PolarHBondContact N-O 2.67Å; I189-T194 HydrophobicContact CG2-CG2 4.4Å; R192-T194 PolarHBondContact NH1-OG1 3.16Å; R192-T194 PolarHBondContact O-N 2.9Å; R192-T194 VanDerWaalsContact O-N 3.11Å; R192-T194 PolarHBondContact O-OG1 3.26Å; T194-E199 VanDerWaalsContact CA-OE1 3.29Å; T194-E199 WeakPolarHBondContact CA-OE1 3.4Å; T194-E199 HydrophobicContact CG2-CB 4.09Å; T194-E199 HydrophobicContact CG2-CG 4.48Å; T194-E199 WeakPolarHBondContact CG2-OE1 3.32Å; T194-I200 HydrophobicContact CG2-CD1 4.12Å; T194-I200 HydrophobicContact CG2-CG1 4.24Å
195S95.9Very high96.5Very high23 Ų2344.9 Ų44.916%0.16122%0.224CC..  trans-96.8124.8172.6165.50000110.9T89 E197 K198 E199T89-S195 WeakPolarHBondContact OG1-CA 3.48Å; S195-E197 PolarHBondContact O-N 3.03Å; S195-E197 PolarHBondContact OG-N 3.49Å; S195-E197 PolarHBondContact OG-OE2 2.78Å; S195-K198 PolarHBondContact O-N 3.26Å; S195-K198 PolarHBondContact OG-N 3.29Å; S195-K198 VanDerWaalsContact OG-N 3.13Å; S195-E199 PolarHBondContact N-OE1 3.49Å; S195-E199 WeakPolarHBondContact O-CB 3.39Å; S195-E199 PolarHBondContact O-N 3.08Å
196I97.2Very high96.5Very high0 Ų051.4 Ų51.40%026%0.26CS..Iπ-helixtrans-64-35.9176.9-158.6171.5000110.9T89 A90 I93 Y179 L181 I200 F201T89-I196 PolarHBondContact OG1-N 3.14Å; A90-I196 HydrophobicContact CB-CB 3.82Å; A90-I196 HydrophobicContact CB-CG1 4.37Å; I93-I196 HydrophobicContact CD1-CD1 3.8Å; Y179-I196 HydrophobicContact CD2-CD1 4.35Å; Y179-I196 HydrophobicContact CE2-CG2 4.22Å; L181-I196 HydrophobicContact CD1-CD1 4.01Å; I196-I200 HydrophobicContact CG1-CB 3.93Å; I196-I200 HydrophobicContact CG1-CG1 4.33Å; I196-I200 HydrophobicContact CG1-CG2 4.35Å; I196-I200 PolarHBondContact O-N 3.04Å; I196-F201 HydrophobicContact CB-CE2 4.45Å; I196-F201 HydrophobicContact CD1-CD1 4.46Å; I196-F201 HydrophobicContact CD1-CE1 3.65Å; I196-F201 HydrophobicContact CD1-CE2 4.13Å; I196-F201 HydrophobicContact CD1-CZ 3.45Å; I196-F201 VanDerWaalsContact CD1-CZ 3.45Å; I196-F201 HydrophobicContact CG1-CD1 4.09Å; I196-F201 HydrophobicContact CG1-CD2 4.27Å; I196-F201 HydrophobicContact CG1-CE1 3.76Å; I196-F201 HydrophobicContact CG1-CE2 3.96Å; I196-F201 HydrophobicContact CG1-CG 4.34Å; I196-F201 HydrophobicContact CG1-CZ 3.69Å; I196-F201 HydrophobicContact CG2-CD2 4.32Å; I196-F201 HydrophobicContact CG2-CE2 3.82Å; I196-F201 HydrophobicContact CG2-CZ 4.22Å; I196-F201 PolarHBondContact O-N 3.23Å
197E96.4Very high96.5Very high15 Ų1555.5 Ų55.57%0.0728%0.278CS..Iπ-helixtrans-74.5-33.4-177.4-55.986.2178.800113.2T89 F162 E164 S195 P202T89-E197 PolarHBondContact OG1-OE2 2.99Å; F162-E197 VanDerWaalsContact CD1-O 3.27Å; F162-E197 WeakPolarHBondContact CD1-O 3.34Å; F162-E197 HydrophobicContact CE1-CB 3.73Å; F162-E197 HydrophobicContact CE1-CG 4.37Å; F162-E197 VanDerWaalsContact CE1-O 3.28Å; F162-E197 WeakPolarHBondContact CE1-O 3.39Å; F162-E197 HydrophobicContact CZ-CB 4.04Å; F162-E197 HydrophobicContact CZ-CG 4.17Å; E164-E197 HydrophobicContact CB-CB 4.35Å; E164-E197 HydrophobicContact CG-CB 4.23Å; E164-E197 WeakPolarHBondContact OE2-CB 3.43Å; S195-E197 PolarHBondContact O-N 3.03Å; S195-E197 PolarHBondContact OG-N 3.49Å; S195-E197 PolarHBondContact OG-OE2 2.78Å; E197-P202 VanDerWaalsContact O-CD 3.29Å; E197-P202 WeakPolarHBondContact O-CD 3.3Å; E197-P202 WeakPolarHBondContact O-CG 3.37Å
198K95.3Very high96.6Very high141 Ų14155.9 Ų55.961%0.61327%0.274SS*.Iπ-helixtrans-93.2-35.7-178.2-66.3-174.8176.3-176.30114E164 S195E164-K198 HydrophobicContact CB-CG 3.96Å; E164-K198 HydrophobicContact CG-CD 4.48Å; E164-K198 HydrophobicContact CG-CG 3.77Å; S195-K198 PolarHBondContact O-N 3.26Å; S195-K198 PolarHBondContact OG-N 3.29Å; S195-K198 VanDerWaalsContact OG-N 3.13Å
199E96.8Very high96.7Very high57 Ų5755.1 Ų55.127%0.26627%0.274SS..Iπ-helixtrans-107.1-40.6-170.8-65.3171.3-9900111.7R192 T194 S195 E203R192-E199 IonicContact CZ-OE2 3.74Å; R192-E199 VanDerWaalsContact CZ-OE2 3.29Å; R192-E199 IonicContact NH1-OE1 2.65Å; R192-E199 IonicContact NH1-OE2 3.46Å; R192-E199 PolarHBondContact NH1-OE2 3.09Å; R192-E199 IonicContact NH2-OE2 2.73Å; R192-E199 PolarHBondContact NH2-OE2 3.09Å; T194-E199 VanDerWaalsContact CA-OE1 3.29Å; T194-E199 WeakPolarHBondContact CA-OE1 3.4Å; T194-E199 HydrophobicContact CG2-CB 4.09Å; T194-E199 HydrophobicContact CG2-CG 4.48Å; T194-E199 WeakPolarHBondContact CG2-OE1 3.32Å; S195-E199 PolarHBondContact N-OE1 3.49Å; S195-E199 WeakPolarHBondContact O-CB 3.39Å; S195-E199 PolarHBondContact O-N 3.08Å; E199-E203 VanDerWaalsContact O-CD 3.29Å; E199-E203 VanDerWaalsContact O-CG 3.29Å; E199-E203 WeakPolarHBondContact O-CG 3.18Å
200I97.9Very high96.8Very high4 Ų454.6 Ų54.62%0.02127%0.271CS..Iπ-helixtrans-97-50.8-167-49.2-59000112.6A90 V185 R188 I189 T194 I196 E203 M204A90-I200 HydrophobicContact CB-CG1 4.07Å; V185-I200 HydrophobicContact CG1-CG2 4.19Å; R188-I200 HydrophobicContact CB-CD1 4.39Å; R188-I200 HydrophobicContact CB-CG2 4.46Å; R188-I200 WeakPolarHBondContact O-CD1 3.47Å; I189-I200 HydrophobicContact CG1-CD1 4.03Å; I189-I200 HydrophobicContact CG1-CG1 4.13Å; T194-I200 HydrophobicContact CG2-CD1 4.12Å; T194-I200 HydrophobicContact CG2-CG1 4.24Å; I196-I200 HydrophobicContact CG1-CB 3.93Å; I196-I200 HydrophobicContact CG1-CG1 4.33Å; I196-I200 HydrophobicContact CG1-CG2 4.35Å; I196-I200 PolarHBondContact O-N 3.04Å; I200-E203 PolarHBondContact O-N 3.18Å; I200-M204 HydrophobicContact CG2-CG 4.28Å; I200-M204 HydrophobicContact CG2-SD 3.8Å; I200-M204 VanDerWaalsContact O-CG 3.31Å; I200-M204 WeakPolarHBondContact O-CG 3.32Å; I200-M204 PolarHBondContact O-N 2.91Å
201F98.2Very high96.9Very high0 Ų054 Ų540%026%0.263CS..Hα-helixtrans-64-39.9-178.9-69.9-28.3000114.1I136 F162 Y179 L181 I196 E203 M204 A205 L210I136-F201 HydrophobicContact CG2-CD1 4.39Å; I136-F201 HydrophobicContact CG2-CE1 3.81Å; I136-F201 HydrophobicContact CG2-CE2 3.98Å; I136-F201 HydrophobicContact CG2-CZ 3.58Å; F162-F201 HydrophobicContact CB-CB 4.29Å; F162-F201 HydrophobicContact CD1-CB 4.23Å; F162-F201 HydrophobicContact CD2-CB 3.97Å; F162-F201 HydrophobicContact CD2-CD2 4.23Å; F162-F201 HydrophobicContact CD2-CG 4.47Å; F162-F201 HydrophobicContact CE2-CB 4.38Å; F162-F201 AromaticContact CE2-CD2 3.82Å; F162-F201 HydrophobicContact CE2-CD2 3.82Å; F162-F201 HydrophobicContact CE2-CG 4.49Å; F162-F201 HydrophobicContact CG-CB 3.89Å; F162-F201 HydrophobicContact CZ-CD2 4.02Å; Y179-F201 HydrophobicContact CD1-CE2 4.15Å; Y179-F201 AromaticContact CD1-CZ 3.81Å; Y179-F201 HydrophobicContact CD1-CZ 3.81Å; Y179-F201 HydrophobicContact CD2-CE2 4.46Å; Y179-F201 AromaticContact CD2-CZ 3.89Å; Y179-F201 HydrophobicContact CD2-CZ 3.89Å; Y179-F201 AromaticContact CE1-CE2 3.8Å; Y179-F201 HydrophobicContact CE1-CE2 3.8Å; Y179-F201 AromaticContact CE1-CZ 3.93Å; Y179-F201 HydrophobicContact CE1-CZ 3.93Å; Y179-F201 HydrophobicContact CE2-CE2 4.16Å; Y179-F201 HydrophobicContact CE2-CZ 4.04Å; Y179-F201 AromaticContact CG-CZ 3.82Å; Y179-F201 HydrophobicContact CG-CZ 3.82Å; Y179-F201 AromaticContact CZ-CE2 3.83Å; L181-F201 HydrophobicContact CD2-CE1 4.22Å; I196-F201 HydrophobicContact CB-CE2 4.45Å; I196-F201 HydrophobicContact CD1-CD1 4.46Å; I196-F201 HydrophobicContact CD1-CE1 3.65Å; I196-F201 HydrophobicContact CD1-CE2 4.13Å; I196-F201 HydrophobicContact CD1-CZ 3.45Å; I196-F201 VanDerWaalsContact CD1-CZ 3.45Å; I196-F201 HydrophobicContact CG1-CD1 4.09Å; I196-F201 HydrophobicContact CG1-CD2 4.27Å; I196-F201 HydrophobicContact CG1-CE1 3.76Å; I196-F201 HydrophobicContact CG1-CE2 3.96Å; I196-F201 HydrophobicContact CG1-CG 4.34Å; I196-F201 HydrophobicContact CG1-CZ 3.69Å; I196-F201 HydrophobicContact CG2-CD2 4.32Å; I196-F201 HydrophobicContact CG2-CE2 3.82Å; I196-F201 HydrophobicContact CG2-CZ 4.22Å; I196-F201 PolarHBondContact O-N 3.23Å; F201-E203 VanDerWaalsContact C-N 3.33Å; F201-E203 PolarHBondContact O-N 3.32Å; F201-M204 HydrophobicContact CD1-SD 4.17Å; F201-M204 PolarHBondContact O-N 3.04Å; F201-A205 WeakPolarHBondContact O-CB 3.49Å; F201-A205 PolarHBondContact O-N 3.43Å; F201-L210 HydrophobicContact CB-CD2 3.78Å; F201-L210 HydrophobicContact CD1-CD1 3.92Å; F201-L210 HydrophobicContact CD1-CD2 3.96Å; F201-L210 HydrophobicContact CE1-CD1 4.18Å; F201-L210 HydrophobicContact CG-CD2 4.03Å
202P97.6Very high97.1Very high42 Ų4248.2 Ų48.227%0.27323%0.233SC..Hα-helixtrans-60-41.6174.6-2838.8000112.7F162 E197 A205 N206F162-P202 HydrophobicContact CB-CG 4.42Å; F162-P202 HydrophobicContact CD1-CG 4.3Å; E197-P202 VanDerWaalsContact O-CD 3.29Å; E197-P202 WeakPolarHBondContact O-CD 3.3Å; E197-P202 WeakPolarHBondContact O-CG 3.37Å; P202-A205 PolarHBondContact O-N 3.02Å; P202-N206 PolarHBondContact O-N 3.39Å
203E97.5Very high97.3Very high102 Ų10244.3 Ų44.348%0.47722%0.219SC..Hα-helixtrans-65.2-48.1176-69.8-179.1176.600111.4E199 I200 F201 A205 N206 E207E199-E203 VanDerWaalsContact O-CD 3.29Å; E199-E203 VanDerWaalsContact O-CG 3.29Å; E199-E203 WeakPolarHBondContact O-CG 3.18Å; I200-E203 PolarHBondContact O-N 3.18Å; F201-E203 VanDerWaalsContact C-N 3.33Å; F201-E203 PolarHBondContact O-N 3.32Å; E203-A205 VanDerWaalsContact C-N 3.28Å; E203-A205 PolarHBondContact O-N 3.16Å; E203-N206 WeakPolarHBondContact O-CB 3.32Å; E203-N206 PolarHBondContact O-N 2.85Å; E203-E207 WeakPolarHBondContact O-CG 3.09Å; E203-E207 PolarHBondContact O-N 3.29Å
204M98.2Very high97.4Very high0 Ų044 Ų440%022%0.217CC..Hα-helixtrans-61-35.9177.4-69.3176.769.100112.6V185 I200 F201 K208 Q209 L210V185-M204 HydrophobicContact CG1-SD 4.23Å; V185-M204 HydrophobicContact CG2-CE 3.63Å; V185-M204 HydrophobicContact CG2-SD 4.06Å; I200-M204 HydrophobicContact CG2-CG 4.28Å; I200-M204 HydrophobicContact CG2-SD 3.8Å; I200-M204 VanDerWaalsContact O-CG 3.31Å; I200-M204 WeakPolarHBondContact O-CG 3.32Å; I200-M204 PolarHBondContact O-N 2.91Å; F201-M204 HydrophobicContact CD1-SD 4.17Å; F201-M204 PolarHBondContact O-N 3.04Å; M204-K208 PolarHBondContact O-N 2.82Å; M204-Q209 HydrophobicContact CB-CB 4.42Å; M204-Q209 WeakPolarHBondContact O-CA 3.43Å; M204-Q209 PolarHBondContact O-N 2.91Å; M204-L210 HydrophobicContact CB-CB 3.98Å; M204-L210 HydrophobicContact CE-CD1 4.02Å; M204-L210 PolarHBondContact O-N 3.26Å
205A98Very high97.4Very high5 Ų544.4 Ų44.44%0.04122%0.219CC..Hα-helixtrans-65.6-47.4174.700000111.2V159 F201 P202 E203 E207 K208 L210V159-A205 HydrophobicContact CB-CB 4.36Å; V159-A205 HydrophobicContact CG1-CB 3.88Å; F201-A205 WeakPolarHBondContact O-CB 3.49Å; F201-A205 PolarHBondContact O-N 3.43Å; P202-A205 PolarHBondContact O-N 3.02Å; E203-A205 VanDerWaalsContact C-N 3.28Å; E203-A205 PolarHBondContact O-N 3.16Å; A205-E207 PolarHBondContact O-N 2.83Å; A205-K208 PolarHBondContact O-N 2.88Å; A205-L210 HydrophobicContact CB-CB 4.46Å; A205-L210 HydrophobicContact CB-CD2 4.37Å
206N97.6Very high97.1Very high138 Ų13849.1 Ų49.174%0.73825%0.252SS*.Hα-helixtrans-58.5-35.9176.9-173.857.4000112.2P202 E203 K208P202-N206 PolarHBondContact O-N 3.39Å; E203-N206 WeakPolarHBondContact O-CB 3.32Å; E203-N206 PolarHBondContact O-N 2.85Å; N206-K208 VanDerWaalsContact C-N 3.27Å; N206-K208 PolarHBondContact O-N 3.02Å
207E97.8Very high96.8Very high88 Ų8850.5 Ų50.541%0.41127%0.266SS..THydrogen-bonded Turntrans-81.61.3176.1-66.6175-150.800114.5R188 E203 A205 Q209R188-E207 IonicContact CZ-OE1 3.86Å; R188-E207 IonicContact CZ-OE2 3.18Å; R188-E207 IonicContact NH1-OE1 2.72Å; R188-E207 PolarHBondContact NH1-OE1 3.18Å; R188-E207 IonicContact NH1-OE2 2.68Å; R188-E207 PolarHBondContact NH1-OE2 3.45Å; R188-E207 IonicContact NH2-OE1 3.99Å; R188-E207 IonicContact NH2-OE2 2.65Å; R188-E207 PolarHBondContact NH2-OE2 3.36Å; E203-E207 WeakPolarHBondContact O-CG 3.09Å; E203-E207 PolarHBondContact O-N 3.29Å; A205-E207 PolarHBondContact O-N 2.83Å; E207-Q209 HydrophobicContact CB-CG 3.98Å; E207-Q209 PolarHBondContact O-N 2.78Å
208K97.8Very high96.7Very high131 Ų13151.1 Ų51.157%0.5727%0.268SS*.THydrogen-bonded Turntrans59.130.6-176.2-54.2174.2-176.3175.90113.3M204 A205 N206M204-K208 PolarHBondContact O-N 2.82Å; A205-K208 PolarHBondContact O-N 2.88Å; N206-K208 VanDerWaalsContact C-N 3.27Å; N206-K208 PolarHBondContact O-N 3.02Å
209Q98.3Very high96.7Very high50 Ų5045.5 Ų45.523%0.23424%0.243CC..  trans-99.9-5178.9-67.7-60-26.600113.7S133 G134 M204 E207S133-Q209 PolarHBondContact N-O 3.31Å; S133-Q209 PolarHBondContact OG-OE1 2.95Å; G134-Q209 PolarHBondContact N-O 2.89Å; G134-Q209 VanDerWaalsContact N-O 3.12Å; M204-Q209 HydrophobicContact CB-CB 4.42Å; M204-Q209 WeakPolarHBondContact O-CA 3.43Å; M204-Q209 PolarHBondContact O-N 2.91Å; E207-Q209 HydrophobicContact CB-CG 3.98Å; E207-Q209 PolarHBondContact O-N 2.78Å
210L98.7Very high96.7Very high0 Ų043.4 Ų43.40%023%0.234CC..EExtended strand (participates in β ladder)trans-111.6129.4-178.1-164.263.4000111.4I136 V159 F201 M204 A205I136-L210 HydrophobicContact CD1-CD2 4.24Å; I136-L210 HydrophobicContact CG2-CD1 3.9Å; V159-L210 HydrophobicContact CB-CB 4.19Å; V159-L210 HydrophobicContact CB-CD2 4.28Å; V159-L210 HydrophobicContact CB-CG 4.21Å; V159-L210 WeakPolarHBondContact CB-O 3.45Å; V159-L210 HydrophobicContact CG1-CD2 4.25Å; V159-L210 HydrophobicContact CG2-CB 4.43Å; V159-L210 HydrophobicContact CG2-CD2 4.3Å; V159-L210 HydrophobicContact CG2-CG 4.02Å; V159-L210 PolarHBondContact N-O 3.5Å; F201-L210 HydrophobicContact CB-CD2 3.78Å; F201-L210 HydrophobicContact CD1-CD1 3.92Å; F201-L210 HydrophobicContact CD1-CD2 3.96Å; F201-L210 HydrophobicContact CE1-CD1 4.18Å; F201-L210 HydrophobicContact CG-CD2 4.03Å; M204-L210 HydrophobicContact CB-CB 3.98Å; M204-L210 HydrophobicContact CE-CD1 4.02Å; M204-L210 PolarHBondContact O-N 3.26Å; A205-L210 HydrophobicContact CB-CB 4.46Å; A205-L210 HydrophobicContact CB-CD2 4.37Å
211Y98.8Very high96.6Very high34 Ų3443.9 Ų43.913%0.13324%0.236CC..EExtended strand (participates in β ladder)trans-123.5159.9174.3-77.1-113.6000109.1F126 H130 K132 G134 T135 I136 G157 R158F126-Y211 HydrophobicContact CZ-CD1 4.37Å; H130-Y211 HydrophobicContact CB-CD1 3.76Å; H130-Y211 HydrophobicContact CB-CD2 4.41Å; H130-Y211 HydrophobicContact CB-CE1 3.82Å; H130-Y211 HydrophobicContact CB-CG 4.08Å; H130-Y211 AromaticContact CD2-CG 3.79Å; H130-Y211 AromaticContact CG-CD1 3.84Å; H130-Y211 AromaticContact CG-CD2 3.98Å; H130-Y211 AromaticContact CG-CG 3.66Å; H130-Y211 AromaticContact ND1-CD2 3.69Å; H130-Y211 AromaticContact ND1-CG 3.8Å; K132-Y211 HydrophobicContact CB-CD2 4.02Å; K132-Y211 HydrophobicContact CB-CE2 4.02Å; K132-Y211 HydrophobicContact CG-CD2 3.98Å; K132-Y211 HydrophobicContact CG-CE2 3.48Å; K132-Y211 VanDerWaalsContact CG-CE2 3.48Å; G134-Y211 PolarHBondContact O-N 3.03Å; T135-Y211 CarbonylContact C-O 3.53Å; T135-Y211 VanDerWaalsContact CA-O 3.24Å; T135-Y211 WeakPolarHBondContact CA-O 3.44Å; I136-Y211 PolarHBondContact N-O 3.44Å; G157-Y211 CarbonylContact O-C 3.53Å; G157-Y211 VanDerWaalsContact O-CA 3.26Å; G157-Y211 WeakPolarHBondContact O-CA 3.22Å; R158-Y211 HydrophobicContact CB-CD1 4.16Å; R158-Y211 HydrophobicContact CB-CE1 3.72Å; R158-Y211 HydrophobicContact CB-CE2 4.26Å; R158-Y211 HydrophobicContact CG-CE1 4.34Å; R158-Y211 HydrophobicContact CG-CE2 3.99Å
212C98.4Very high96.5Very high3 Ų343.9 Ų43.92%0.0224%0.236CC..EExtended strand (participates in β ladder)trans-133151.4175.366.20000112.7F126 I136 V138 V150 Y152 G157 V159F126-C212 WeakPolarHBondContact CE1-O 3.08Å; F126-C212 WeakPolarHBondContact CZ-O 3.48Å; I136-C212 HydrophobicContact CD1-CB 4.39Å; I136-C212 HydrophobicContact CG1-CB 3.64Å; I136-C212 CarbonylContact O-C 3.57Å; I136-C212 WeakPolarHBondContact O-CA 3.45Å; I136-C212 VanDerWaalsContact O-CB 3.31Å; I136-C212 WeakPolarHBondContact O-CB 3.4Å; V138-C212 HydrophobicContact CG1-CB 3.77Å; V138-C212 HydrophobicContact CG2-CB 4.26Å; V150-C212 HydrophobicContact CG1-CB 4.41Å; Y152-C212 VanDerWaalsContact CB-SG 3.58Å; Y152-C212 WeakPolarHBondContact CD1-SG 3.38Å; Y152-C212 WeakPolarHBondContact CD2-SG 3.5Å; G157-C212 PolarHBondContact O-N 3.3Å; V159-C212 HydrophobicContact CG2-CB 3.84Å
213M97.7Very high96.3Very high30 Ų3042 Ų4215%0.14822%0.224CC..EExtended strand (participates in β ladder)trans-119.9130.2173.5-169.6-176.781.600108.9P119 A122 I123 F126 T135 I136 L137 V138P119-M213 HydrophobicContact CB-CE 4.3Å; P119-M213 HydrophobicContact CG-CE 3.92Å; A122-M213 HydrophobicContact CB-CE 4.07Å; A122-M213 HydrophobicContact CB-SD 4.09Å; I123-M213 HydrophobicContact CB-CE 4.43Å; I123-M213 HydrophobicContact CD1-CE 4.46Å; I123-M213 HydrophobicContact CG1-CE 3.43Å; I123-M213 VanDerWaalsContact CG1-CE 3.43Å; I123-M213 HydrophobicContact CG1-SD 4.35Å; F126-M213 HydrophobicContact CB-SD 4.07Å; F126-M213 HydrophobicContact CD1-CB 4.09Å; F126-M213 HydrophobicContact CE1-CB 4.28Å; F126-M213 HydrophobicContact CG-CB 4.41Å; F126-M213 HydrophobicContact CG-CG 4.46Å; F126-M213 HydrophobicContact CG-SD 4.41Å; T135-M213 HydrophobicContact CG2-CB 4.44Å; I136-M213 PolarHBondContact O-N 3.18Å; L137-M213 WeakPolarHBondContact CA-O 3.29Å; L137-M213 HydrophobicContact CD1-CE 3.68Å; L137-M213 WeakPolarHBondContact CD1-O 3.36Å; V138-M213 PolarHBondContact N-O 3.37Å
214T96.7Very high96.2Very high59 Ų5939.6 Ų39.636%0.36221%0.213SC..EExtended strand (participates in β ladder)trans-78.8128.4176.9-60.60000110.6V138 Y152V138-T214 WeakPolarHBondContact CG2-OG1 3.37Å; V138-T214 WeakPolarHBondContact O-CA 3.37Å; Y152-T214 PolarHBondContact OH-OG1 3.49Å
215L95.5Very high96.1Very high11 Ų1139.7 Ų39.76%0.05821%0.214CC..  trans-71.3126.5172.5-17660.2000110.4C116 D117 P119 L137 V138 W219C116-L215 HydrophobicContact CB-CD2 3.86Å; D117-L215 WeakPolarHBondContact OD1-CD1 3.48Å; P119-L215 HydrophobicContact CG-CD1 3.69Å; L137-L215 HydrophobicContact CD1-CB 4.12Å; L137-L215 HydrophobicContact CD1-CD1 4.41Å; L137-L215 HydrophobicContact CD2-CB 4.33Å; L137-L215 HydrophobicContact CD2-CD1 4.14Å; L137-L215 HydrophobicContact CD2-CD2 4.15Å; L137-L215 HydrophobicContact CD2-CG 4.46Å; L137-L215 HydrophobicContact CG-CB 4.15Å; V138-L215 WeakPolarHBondContact O-CB 3.37Å; V138-L215 PolarHBondContact O-N 2.88Å; L215-W219 HydrophobicContact CD2-CB 3.74Å; L215-W219 HydrophobicContact CD2-CG 4.22Å
216S88.7Confident96.1Very high122 Ų12244.4 Ų44.485%0.85324%0.235SC*.  trans-89.8-12.4177.553.40000114
217G90.2Very high96Very high29 Ų2938.7 Ų38.730%0.29920%0.204SC..SBendtrans-101.8-170.7-176.300000114.1
218F94.6Very high96Very high27 Ų2734.6 Ų34.612%0.11819%0.185CC..  trans-67.9152.3175.982.9-82.6000111.2M115 C116 D117 L234 Y235 Y238M115-F218 HydrophobicContact CB-CE2 4.21Å; C116-F218 VanDerWaalsContact C-CE1 3.45Å; C116-F218 WeakPolarHBondContact CA-O 3.44Å; C116-F218 WeakPolarHBondContact CB-O 3.28Å; C116-F218 WeakPolarHBondContact O-CZ 3.43Å; D117-F218 HydrophobicContact CB-CE1 4.38Å; F218-L234 HydrophobicContact CB-CB 4.03Å; F218-L234 HydrophobicContact CB-CD1 4.46Å; F218-L234 HydrophobicContact CB-CD2 4.48Å; F218-L234 HydrophobicContact CD2-CB 3.76Å; F218-L234 HydrophobicContact CG-CB 4.1Å; F218-Y235 HydrophobicContact CE1-CD2 4.47Å; F218-Y235 HydrophobicContact CE2-CD2 4.48Å; F218-Y235 AromaticContact CZ-CD2 3.79Å; F218-Y235 HydrophobicContact CZ-CD2 3.79Å; F218-Y238 HydrophobicContact CD1-CD2 4.28Å; F218-Y238 AromaticContact CD1-CG 3.99Å; F218-Y238 HydrophobicContact CD1-CG 3.99Å; F218-Y238 AromaticContact CE1-CD1 3.93Å; F218-Y238 HydrophobicContact CE1-CD1 3.93Å; F218-Y238 HydrophobicContact CE1-CD2 4.05Å; F218-Y238 AromaticContact CE1-CG 3.58Å; F218-Y238 HydrophobicContact CE1-CG 3.58Å
219W96.8Very high96Very high23 Ų2328.9 Ų28.99%0.08716%0.161CC..EExtended strand (participates in β ladder)trans-145140.1173.5179.490.2000110I114 M115 T139 V141 Y147 I174 A176 L215 D221I114-W219 HydrophobicContact CD1-CZ2 3.67Å; M115-W219 CarbonylContact O-C 3.54Å; M115-W219 WeakPolarHBondContact O-CA 3.37Å; T139-W219 HydrophobicContact CG2-CB 4.22Å; T139-W219 HydrophobicContact CG2-CD2 3.6Å; T139-W219 HydrophobicContact CG2-CE3 3.82Å; T139-W219 HydrophobicContact CG2-CG 3.78Å; T139-W219 HydrophobicContact CG2-CZ3 4.4Å; V141-W219 HydrophobicContact CG1-CE3 4.35Å; V141-W219 HydrophobicContact CG1-CZ3 4.09Å; Y147-W219 HydrophobicContact CD1-CH2 4.28Å; Y147-W219 AromaticContact CE1-CH2 3.74Å; Y147-W219 HydrophobicContact CE1-CH2 3.74Å; Y147-W219 AromaticContact CZ-CH2 3.94Å; I174-W219 HydrophobicContact CD1-CH2 3.64Å; I174-W219 HydrophobicContact CD1-CZ2 4.12Å; I174-W219 HydrophobicContact CD1-CZ3 3.96Å; A176-W219 PolarHBondContact O-NE1 3.09Å; L215-W219 HydrophobicContact CD2-CB 3.74Å; L215-W219 HydrophobicContact CD2-CG 4.22Å; W219-D221 HydrophobicContact CH2-CB 4.06Å; W219-D221 HydrophobicContact CZ2-CB 4.43Å
220M96.2Very high96Very high13 Ų1331.5 Ų31.56%0.06417%0.171CC..EExtended strand (participates in β ladder)trans-151.4137.2171-166.158.257.100111.8M115 V222 D227 K230 L234M115-M220 PolarHBondContact N-O 2.81Å; M115-M220 PolarHBondContact O-N 2.82Å; M220-V222 HydrophobicContact CB-CG1 4.15Å; M220-V222 HydrophobicContact CG-CG1 3.89Å; M220-D227 HydrophobicContact CG-CB 4.37Å; M220-D227 WeakPolarHBondContact CG-O 3.45Å; M220-D227 HydrophobicContact SD-CB 3.98Å; M220-K230 HydrophobicContact CE-CB 4.14Å; M220-K230 HydrophobicContact CE-CD 3.56Å; M220-K230 HydrophobicContact CE-CG 3.64Å; M220-K230 HydrophobicContact SD-CD 4.38Å; M220-L234 HydrophobicContact CB-CD1 4.42Å; M220-L234 HydrophobicContact CE-CD1 3.32Å
221D94.9Very high95.9Very high14 Ų1431.5 Ų31.58%0.07517%0.171CC..EExtended strand (participates in β ladder)trans-82.4107.5158.4171.6-2.2000108.1R13 I114 W219 G223 D227R13-D221 IonicContact NH2-OD2 3.19Å; I114-D221 HydrophobicContact CD1-CB 4.08Å; W219-D221 HydrophobicContact CH2-CB 4.06Å; W219-D221 HydrophobicContact CZ2-CB 4.43Å; D221-G223 PolarHBondContact O-N 2.95Å; D221-G223 WeakPolarHBondContact OD1-CA 2.86Å; D221-G223 PolarHBondContact OD1-N 3.04Å; D221-D227 WeakPolarHBondContact O-CB 3.21Å
222V95.9Very high95.9Very high0 Ų030 Ų300%017%0.165CC..  trans-90.925.3-178.3-60.20000112.8F28 L33 D113 M115 M220 Q224 F228F28-V222 HydrophobicContact CD2-CG1 4.25Å; F28-V222 HydrophobicContact CE2-CB 4.49Å; F28-V222 HydrophobicContact CE2-CG1 3.73Å; F28-V222 HydrophobicContact CZ-CG1 4.22Å; L33-V222 HydrophobicContact CD1-CG2 3.49Å; L33-V222 VanDerWaalsContact CD1-CG2 3.49Å; L33-V222 HydrophobicContact CD2-CG2 3.84Å; L33-V222 HydrophobicContact CG-CG2 4.33Å; D113-V222 VanDerWaalsContact O-CG2 3.32Å; D113-V222 WeakPolarHBondContact O-CG2 3.43Å; D113-V222 PolarHBondContact O-N 3.35Å; M115-V222 HydrophobicContact CB-CG1 4.38Å; M115-V222 HydrophobicContact CG-CG1 4.18Å; M115-V222 HydrophobicContact CG-CG2 4.11Å; M220-V222 HydrophobicContact CB-CG1 4.15Å; M220-V222 HydrophobicContact CG-CG1 3.89Å; V222-Q224 PolarHBondContact O-N 2.81Å; V222-F228 HydrophobicContact CB-CB 4.46Å; V222-F228 HydrophobicContact CB-CD2 4.19Å
223G93.6Very high95.9Very high2 Ų232.4 Ų32.42%0.02118%0.178CC..SBendtrans-72.9-5.3-176.500000115.9R13 D221R13-G223 VanDerWaalsContact CB-O 3.28Å; R13-G223 WeakPolarHBondContact CB-O 3.27Å; D221-G223 PolarHBondContact O-N 2.95Å; D221-G223 WeakPolarHBondContact OD1-CA 2.86Å; D221-G223 PolarHBondContact OD1-N 3.04Å
224Q95.2Very high95.9Very high53 Ų5333.3 Ų33.325%0.24818%0.183CC..SBendtrans-144.5155.3177.962.8-177.7-13.400112.5R13 V222 H226 D227 F228R13-Q224 HydrophobicContact CB-CB 4.17Å; V222-Q224 PolarHBondContact O-N 2.81Å; Q224-H226 PolarHBondContact O-N 3.29Å; Q224-D227 HydrophobicContact CG-CB 4Å; Q224-D227 VanDerWaalsContact CG-OD2 3.27Å; Q224-D227 WeakPolarHBondContact CG-OD2 3.46Å; Q224-D227 PolarHBondContact NE2-OD2 2.84Å; Q224-D227 PolarHBondContact O-N 3.3Å; Q224-D227 VanDerWaalsContact O-N 3.12Å; Q224-F228 WeakPolarHBondContact O-CB 3.39Å; Q224-F228 PolarHBondContact O-N 3.41Å
225P97.6Very high96Very high2 Ų231.6 Ų31.61%0.01317%0.17CC..Hα-helixtrans-55.1-45.1-169-32.137.7000116R13 L14 D227 F228 L229 I311 V327 V329R13-P225 WeakPolarHBondContact O-CD 3.23Å; L14-P225 HydrophobicContact CD1-CG 4.35Å; P225-D227 PolarHBondContact O-N 3.26Å; P225-F228 WeakPolarHBondContact O-CB 3.44Å; P225-F228 PolarHBondContact O-N 3Å; P225-L229 PolarHBondContact O-N 2.66Å; P225-I311 HydrophobicContact CB-CD1 3.92Å; P225-V327 HydrophobicContact CB-CG1 3.61Å; P225-V329 HydrophobicContact CB-CG2 3.66Å; P225-V329 HydrophobicContact CG-CG2 3.83Å
226H96.3Very high96.1Very high103 Ų10331.1 Ų31.148%0.47717%0.168SC..Hα-helixtrans-59.6-48.4178.1170.7-87.6000111.4Q224 F228 L229 K230 V327Q224-H226 PolarHBondContact O-N 3.29Å; H226-F228 VanDerWaalsContact C-N 3.33Å; H226-F228 PolarHBondContact O-N 3.16Å; H226-L229 PolarHBondContact O-N 2.57Å; H226-K230 PolarHBondContact O-N 3.19Å; H226-V327 HydrophobicContact CB-CG1 4.42Å; H226-V327 HydrophobicContact CB-CG2 4.46Å
227D95.8Very high96.5Very high18 Ų1828 Ų2810%0.09614%0.141CC..Hα-helixtrans-74.1-27.4-178.6-59.9-18.9000111.8M220 D221 Q224 P225 K230 G231M220-D227 HydrophobicContact CG-CB 4.37Å; M220-D227 WeakPolarHBondContact CG-O 3.45Å; M220-D227 HydrophobicContact SD-CB 3.98Å; D221-D227 WeakPolarHBondContact O-CB 3.21Å; Q224-D227 HydrophobicContact CG-CB 4Å; Q224-D227 VanDerWaalsContact CG-OD2 3.27Å; Q224-D227 WeakPolarHBondContact CG-OD2 3.46Å; Q224-D227 PolarHBondContact NE2-OD2 2.84Å; Q224-D227 PolarHBondContact O-N 3.3Å; Q224-D227 VanDerWaalsContact O-N 3.12Å; P225-D227 PolarHBondContact O-N 3.26Å; D227-K230 PolarHBondContact O-N 2.83Å; D227-G231 WeakPolarHBondContact O-CA 3.45Å; D227-G231 PolarHBondContact O-N 3.25Å
228F98.3Very high96.8Very high2 Ų230.2 Ų30.21%0.00914%0.142CC..Hα-helixtrans-61.2-45.5170.2-175.3-79.2000111.4L14 V26 E27 F28 V222 Q224 P225 H226 T232 T294 I311L14-F228 HydrophobicContact CD1-CB 4.32Å; L14-F228 HydrophobicContact CD1-CD2 4.26Å; V26-F228 HydrophobicContact CG1-CE2 4.39Å; E27-F228 WeakPolarHBondContact O-CZ 3.36Å; F28-F228 HydrophobicContact CB-CE2 4.22Å; F28-F228 HydrophobicContact CB-CZ 4.35Å; F28-F228 HydrophobicContact CD2-CD2 4.07Å; F28-F228 HydrophobicContact CD2-CE1 4.3Å; F28-F228 AromaticContact CD2-CE2 3.73Å; F28-F228 HydrophobicContact CD2-CE2 3.73Å; F28-F228 HydrophobicContact CD2-CG 4.5Å; F28-F228 AromaticContact CD2-CZ 3.86Å; F28-F228 HydrophobicContact CD2-CZ 3.86Å; F28-F228 HydrophobicContact CG-CE2 4.48Å; V222-F228 HydrophobicContact CB-CB 4.46Å; V222-F228 HydrophobicContact CB-CD2 4.19Å; Q224-F228 WeakPolarHBondContact O-CB 3.39Å; Q224-F228 PolarHBondContact O-N 3.41Å; P225-F228 WeakPolarHBondContact O-CB 3.44Å; P225-F228 PolarHBondContact O-N 3Å; H226-F228 VanDerWaalsContact C-N 3.33Å; H226-F228 PolarHBondContact O-N 3.16Å; F228-T232 WeakPolarHBondContact O-CB 3.45Å; F228-T232 PolarHBondContact O-N 3.23Å; F228-T232 PolarHBondContact O-OG1 3.3Å; F228-T294 HydrophobicContact CE1-CG2 4.31Å; F228-I311 HydrophobicContact CB-CD1 4.22Å; F228-I311 HydrophobicContact CD1-CD1 3.7Å; F228-I311 HydrophobicContact CD1-CG1 4.32Å; F228-I311 HydrophobicContact CE1-CD1 4.38Å; F228-I311 HydrophobicContact CG-CD1 4.14Å
229L98.5Very high96.9Very high11 Ų1129 Ų296%0.05814%0.136CC..Hα-helixtrans-68.1-42.2175.8-68.4176.3000111.9P225 H226 G231 T232 N233 N292 T309 I311 V327P225-L229 PolarHBondContact O-N 2.66Å; H226-L229 PolarHBondContact O-N 2.57Å; L229-G231 PolarHBondContact O-N 2.99Å; L229-T232 WeakPolarHBondContact O-CB 3.45Å; L229-T232 PolarHBondContact O-N 2.95Å; L229-N233 PolarHBondContact O-N 2.77Å; L229-N292 WeakPolarHBondContact CD2-O 3.27Å; L229-T309 HydrophobicContact CD1-CG2 3.64Å; L229-I311 HydrophobicContact CD1-CG1 4.24Å; L229-I311 HydrophobicContact CD2-CD1 4.35Å; L229-I311 HydrophobicContact CD2-CG1 3.66Å; L229-I311 HydrophobicContact CG-CD1 4.17Å; L229-I311 HydrophobicContact CG-CG1 3.89Å; L229-V327 HydrophobicContact CD1-CG1 4.48Å
230K97.3Very high96.9Very high106 Ų10633.6 Ų33.646%0.46116%0.157SC..Hα-helixtrans-61.7-43.8174.6-169.7179175.5178.20111.6M220 H226 D227 T232 N233 L234M220-K230 HydrophobicContact CE-CB 4.14Å; M220-K230 HydrophobicContact CE-CD 3.56Å; M220-K230 HydrophobicContact CE-CG 3.64Å; M220-K230 HydrophobicContact SD-CD 4.38Å; H226-K230 PolarHBondContact O-N 3.19Å; D227-K230 PolarHBondContact O-N 2.83Å; K230-T232 VanDerWaalsContact C-N 3.32Å; K230-T232 PolarHBondContact O-N 3.21Å; K230-N233 WeakPolarHBondContact O-CB 3.39Å; K230-N233 PolarHBondContact O-N 3.26Å; K230-L234 WeakPolarHBondContact O-CG 3.45Å; K230-L234 PolarHBondContact O-N 2.97Å
231G97.9Very high96.8Very high0 Ų041.1 Ų41.10%019%0.192CC..Hα-helixtrans-60.9-42.1174.600000111.5F28 D227 L229 N233 L234 Y235F28-G231 VanDerWaalsContact CZ-C 3.4Å; F28-G231 WeakPolarHBondContact CZ-O 3.23Å; D227-G231 WeakPolarHBondContact O-CA 3.45Å; D227-G231 PolarHBondContact O-N 3.25Å; L229-G231 PolarHBondContact O-N 2.99Å; G231-N233 VanDerWaalsContact C-N 3.32Å; G231-N233 PolarHBondContact O-N 3.13Å; G231-L234 PolarHBondContact O-N 3.09Å; G231-Y235 WeakPolarHBondContact O-CB 3.46Å; G231-Y235 PolarHBondContact O-N 3.06Å
232T98.5Very high96.7Very high1 Ų141.6 Ų41.61%0.00620%0.196CC..Hα-helixtrans-56.3-47.9175-62.90000110.4F228 L229 K230 L234 Y235 L236 V277F228-T232 WeakPolarHBondContact O-CB 3.45Å; F228-T232 PolarHBondContact O-N 3.23Å; F228-T232 PolarHBondContact O-OG1 3.3Å; L229-T232 WeakPolarHBondContact O-CB 3.45Å; L229-T232 PolarHBondContact O-N 2.95Å; K230-T232 VanDerWaalsContact C-N 3.32Å; K230-T232 PolarHBondContact O-N 3.21Å; T232-L234 PolarHBondContact O-N 3.34Å; T232-Y235 PolarHBondContact O-N 3.35Å; T232-L236 HydrophobicContact CG2-CD1 3.96Å; T232-L236 HydrophobicContact CG2-CG 4.36Å; T232-L236 WeakPolarHBondContact O-CB 3.37Å; T232-L236 VanDerWaalsContact O-CG 3.23Å; T232-L236 WeakPolarHBondContact O-CG 3.34Å; T232-L236 PolarHBondContact O-N 2.81Å; T232-V277 HydrophobicContact CG2-CG2 3.49Å; T232-V277 VanDerWaalsContact CG2-CG2 3.49Å
233N98.3Very high96.4Very high55 Ų5549.1 Ų49.129%0.29424%0.237SC..Hα-helixtrans-57.4-50175.8-177.3-84.9000112.4L229 K230 G231 Y235 L236 N237 S275L229-N233 PolarHBondContact O-N 2.77Å; K230-N233 WeakPolarHBondContact O-CB 3.39Å; K230-N233 PolarHBondContact O-N 3.26Å; G231-N233 VanDerWaalsContact C-N 3.32Å; G231-N233 PolarHBondContact O-N 3.13Å; N233-Y235 PolarHBondContact O-N 2.93Å; N233-L236 PolarHBondContact O-N 3.33Å; N233-N237 VanDerWaalsContact O-CG 3.29Å; N233-N237 PolarHBondContact O-N 2.93Å; N233-N237 PolarHBondContact O-ND2 3.36Å; N233-N237 PolarHBondContact OD1-ND2 2.84Å; N233-S275 VanDerWaalsContact CA-OG 3.24Å; N233-S275 WeakPolarHBondContact CA-OG 3.34Å; N233-S275 WeakPolarHBondContact CB-OG 3.33Å; N233-S275 PolarHBondContact N-OG 2.62Å; N233-S275 WeakPolarHBondContact ND2-CB 3.14Å
234L97.7Very high96.2Very high48 Ų4852.5 Ų52.525%0.25125%0.252SS..Hα-helixtrans-60.4-44179.4-69.1175.2000112.2F218 M220 K230 G231 T232 N237 Y238F218-L234 HydrophobicContact CB-CB 4.03Å; F218-L234 HydrophobicContact CB-CD1 4.46Å; F218-L234 HydrophobicContact CB-CD2 4.48Å; F218-L234 HydrophobicContact CD2-CB 3.76Å; F218-L234 HydrophobicContact CG-CB 4.1Å; M220-L234 HydrophobicContact CB-CD1 4.42Å; M220-L234 HydrophobicContact CE-CD1 3.32Å; K230-L234 WeakPolarHBondContact O-CG 3.45Å; K230-L234 PolarHBondContact O-N 2.97Å; G231-L234 PolarHBondContact O-N 3.09Å; T232-L234 PolarHBondContact O-N 3.34Å; L234-N237 PolarHBondContact O-N 3.45Å; L234-Y238 PolarHBondContact O-N 3.46Å
235Y98Very high96.1Very high23 Ų2352.1 Ų52.19%0.0926%0.255CS..Hα-helixtrans-65.2-42178.6-177.7-98.1000111.8F28 C29 H36 M115 F218 G231 T232 N233 N237 Y238 L239F28-Y235 HydrophobicContact CE1-CD1 4.25Å; F28-Y235 HydrophobicContact CE1-CD2 4.13Å; F28-Y235 AromaticContact CE1-CG 3.77Å; F28-Y235 HydrophobicContact CE1-CG 3.77Å; F28-Y235 HydrophobicContact CZ-CG 4.46Å; C29-Y235 HydrophobicContact CB-CD1 3.57Å; C29-Y235 HydrophobicContact CB-CE1 3.57Å; C29-Y235 WeakPolarHBondContact SG-CD1 3.4Å; H36-Y235 AromaticContact CE1-CZ 3.64Å; H36-Y235 PolarHBondContact CE1-OH 2.85Å; H36-Y235 AromaticContact ND1-CZ 3.91Å; M115-Y235 HydrophobicContact CE-CD2 4.08Å; M115-Y235 HydrophobicContact CE-CE2 4.14Å; F218-Y235 HydrophobicContact CE1-CD2 4.47Å; F218-Y235 HydrophobicContact CE2-CD2 4.48Å; F218-Y235 AromaticContact CZ-CD2 3.79Å; F218-Y235 HydrophobicContact CZ-CD2 3.79Å; G231-Y235 WeakPolarHBondContact O-CB 3.46Å; G231-Y235 PolarHBondContact O-N 3.06Å; T232-Y235 PolarHBondContact O-N 3.35Å; N233-Y235 PolarHBondContact O-N 2.93Å; Y235-N237 VanDerWaalsContact C-N 3.33Å; Y235-N237 PolarHBondContact O-N 3.32Å; Y235-Y238 HydrophobicContact CD2-CD1 4.17Å; Y235-Y238 HydrophobicContact CE2-CD1 4.15Å; Y235-Y238 HydrophobicContact CE2-CE1 4.35Å; Y235-Y238 WeakPolarHBondContact O-CB 3.33Å; Y235-Y238 PolarHBondContact O-N 2.98Å; Y235-L239 HydrophobicContact CD1-CD1 4.06Å; Y235-L239 HydrophobicContact CD1-CG 4.07Å; Y235-L239 HydrophobicContact CE1-CD1 3.58Å; Y235-L239 HydrophobicContact CE1-CD2 3.93Å; Y235-L239 HydrophobicContact CE1-CG 3.71Å; Y235-L239 WeakPolarHBondContact O-CG 3.35Å; Y235-L239 PolarHBondContact O-N 3.06Å
236L98.2Very high96Very high1 Ų161.3 Ų61.31%0.00530%0.295CS..Hα-helixtrans-64.5-37176-68.5176.7000112.1T232 N233 L239 K240 L248 N257 L259 V277T232-L236 HydrophobicContact CG2-CD1 3.96Å; T232-L236 HydrophobicContact CG2-CG 4.36Å; T232-L236 WeakPolarHBondContact O-CB 3.37Å; T232-L236 VanDerWaalsContact O-CG 3.23Å; T232-L236 WeakPolarHBondContact O-CG 3.34Å; T232-L236 PolarHBondContact O-N 2.81Å; N233-L236 PolarHBondContact O-N 3.33Å; L236-L239 HydrophobicContact CD2-CD1 4.32Å; L236-L239 PolarHBondContact O-N 3.43Å; L236-K240 PolarHBondContact O-N 3.44Å; L236-L248 HydrophobicContact CD2-CD2 3.82Å; L236-N257 HydrophobicContact CB-CB 3.85Å; L236-L259 HydrophobicContact CD2-CB 3.7Å; L236-L259 HydrophobicContact CD2-CD2 4.37Å; L236-V277 HydrophobicContact CD1-CG2 4.12Å; L236-V277 HydrophobicContact CD2-CG2 4.4Å
237N97.6Very high95.9Very high56 Ų5661.2 Ų61.230%0.29929%0.294SS..Hα-helixtrans-65.1-40172.2-68.2-28.1000111.8N233 L234 Y235 K240 Q241 N257N233-N237 VanDerWaalsContact O-CG 3.29Å; N233-N237 PolarHBondContact O-N 2.93Å; N233-N237 PolarHBondContact O-ND2 3.36Å; N233-N237 PolarHBondContact OD1-ND2 2.84Å; L234-N237 PolarHBondContact O-N 3.45Å; Y235-N237 VanDerWaalsContact C-N 3.33Å; Y235-N237 PolarHBondContact O-N 3.32Å; N237-K240 WeakPolarHBondContact O-CB 3.44Å; N237-K240 PolarHBondContact O-N 3.05Å; N237-Q241 WeakPolarHBondContact O-CG 3.34Å; N237-Q241 PolarHBondContact O-N 3.25Å; N237-N257 PolarHBondContact OD1-ND2 3.39Å
238Y96.1Very high96Very high77 Ų7761 Ų6130%0.30229%0.293SS..Hα-helixtrans-60.3-47.5172.3160.3-100.8000111.6D117 F218 L234 Y235 K240 Q241 S242D117-Y238 HydrophobicContact CB-CD2 4.31Å; D117-Y238 HydrophobicContact CB-CE2 3.89Å; F218-Y238 HydrophobicContact CD1-CD2 4.28Å; F218-Y238 AromaticContact CD1-CG 3.99Å; F218-Y238 HydrophobicContact CD1-CG 3.99Å; F218-Y238 AromaticContact CE1-CD1 3.93Å; F218-Y238 HydrophobicContact CE1-CD1 3.93Å; F218-Y238 HydrophobicContact CE1-CD2 4.05Å; F218-Y238 AromaticContact CE1-CG 3.58Å; F218-Y238 HydrophobicContact CE1-CG 3.58Å; L234-Y238 PolarHBondContact O-N 3.46Å; Y235-Y238 HydrophobicContact CD2-CD1 4.17Å; Y235-Y238 HydrophobicContact CE2-CD1 4.15Å; Y235-Y238 HydrophobicContact CE2-CE1 4.35Å; Y235-Y238 WeakPolarHBondContact O-CB 3.33Å; Y235-Y238 PolarHBondContact O-N 2.98Å; Y238-K240 VanDerWaalsContact C-N 3.26Å; Y238-K240 PolarHBondContact O-N 3.22Å; Y238-Q241 PolarHBondContact O-N 3.48Å; Y238-S242 PolarHBondContact O-N 2.91Å
239L96Very high96Very high1 Ų162.1 Ų62.11%0.00530%0.302CS..Hα-helixtrans-56.5-42.9176.9-70.3-172.8000111.5Y235 L236 Q241 S242 H244 S245 L248Y235-L239 HydrophobicContact CD1-CD1 4.06Å; Y235-L239 HydrophobicContact CD1-CG 4.07Å; Y235-L239 HydrophobicContact CE1-CD1 3.58Å; Y235-L239 HydrophobicContact CE1-CD2 3.93Å; Y235-L239 HydrophobicContact CE1-CG 3.71Å; Y235-L239 WeakPolarHBondContact O-CG 3.35Å; Y235-L239 PolarHBondContact O-N 3.06Å; L236-L239 HydrophobicContact CD2-CD1 4.32Å; L236-L239 PolarHBondContact O-N 3.43Å; L239-Q241 PolarHBondContact O-N 3.07Å; L239-S242 WeakPolarHBondContact CA-OG 3.43Å; L239-S242 PolarHBondContact O-N 2.89Å; L239-S242 PolarHBondContact O-OG 2.8Å; L239-H244 HydrophobicContact CD2-CB 3.74Å; L239-S245 WeakPolarHBondContact O-CA 3.14Å; L239-S245 PolarHBondContact O-N 2.73Å; L239-S245 VanDerWaalsContact O-N 3.16Å; L239-L248 HydrophobicContact CB-CD1 4.41Å; L239-L248 HydrophobicContact CB-CD2 4.41Å; L239-L248 HydrophobicContact CB-CG 4.47Å; L239-L248 HydrophobicContact CD1-CD2 4.29Å
240K96.5Very high95.9Very high119 Ų11967.8 Ų67.852%0.51734%0.338SS..Hα-helixtrans-58.7-31.8178.4-177.159.7178.3-177.80113.3L236 N237 Y238 L248L236-K240 PolarHBondContact O-N 3.44Å; N237-K240 WeakPolarHBondContact O-CB 3.44Å; N237-K240 PolarHBondContact O-N 3.05Å; Y238-K240 VanDerWaalsContact C-N 3.26Å; Y238-K240 PolarHBondContact O-N 3.22Å; K240-L248 HydrophobicContact CB-CD1 3.71Å; K240-L248 HydrophobicContact CD-CD1 3.94Å; K240-L248 HydrophobicContact CG-CD1 4.41Å
241Q94.2Very high95.8Very high172 Ų17264.8 Ų64.880%0.80434%0.337SS*.THydrogen-bonded Turntrans-92-1.4-180-63.3174.71700113.2N237 Y238 L239N237-Q241 WeakPolarHBondContact O-CG 3.34Å; N237-Q241 PolarHBondContact O-N 3.25Å; Y238-Q241 PolarHBondContact O-N 3.48Å; L239-Q241 PolarHBondContact O-N 3.07Å
242S92.2Very high95.7Very high23 Ų2370.8 Ų70.816%0.16138%0.379CS..SBendtrans-109.8175-177.377.70000112.3Y238 L239 H244 S245Y238-S242 PolarHBondContact O-N 2.91Å; L239-S242 WeakPolarHBondContact CA-OG 3.43Å; L239-S242 PolarHBondContact O-N 2.89Å; L239-S242 PolarHBondContact O-OG 2.8Å; S242-H244 PolarHBondContact O-N 2.81Å; S242-H244 VanDerWaalsContact O-N 3.09Å; S242-H244 WeakPolarHBondContact OG-CB 3.33Å; S242-H244 PolarHBondContact OG-N 2.88Å; S242-H244 VanDerWaalsContact OG-N 3.13Å; S242-S245 WeakPolarHBondContact O-CB 3.2Å; S242-S245 PolarHBondContact O-N 2.86Å; S242-S245 VanDerWaalsContact O-N 3.08Å; S242-S245 PolarHBondContact O-OG 3.49Å
243D89.9Confident95.7Very high159 Ų15972.2 Ų72.285%0.8539%0.387SS*.G310 helixtrans-61.6-15172.1-65-31.3000113.3S245D243-S245 VanDerWaalsContact C-N 3.29Å; D243-S245 PolarHBondContact O-N 3.22Å
244H91.1Very high95.7Very high73 Ų7370.8 Ų70.834%0.33838%0.378SS..G310 helixtrans-84.55176.2-61.8-79000113.8L239 S242 K246 E247L239-H244 HydrophobicContact CD2-CB 3.74Å; S242-H244 PolarHBondContact O-N 2.81Å; S242-H244 VanDerWaalsContact O-N 3.09Å; S242-H244 WeakPolarHBondContact OG-CB 3.33Å; S242-H244 PolarHBondContact OG-N 2.88Å; S242-H244 VanDerWaalsContact OG-N 3.13Å; H244-K246 PolarHBondContact O-N 3.3Å; H244-E247 HydrophobicContact CB-CG 4.46Å; H244-E247 IonicContact CE1-OE1 3.96Å; H244-E247 IonicContact CG-OE1 3.21Å; H244-E247 IonicContact ND1-OE1 3.65Å; H244-E247 PolarHBondContact ND1-OE1 3.33Å; H244-E247 WeakPolarHBondContact O-CB 3.27Å; H244-E247 PolarHBondContact O-N 3.06Å
245S93Very high95.7Very high45 Ų4573.1 Ų73.132%0.31539%0.388SS..G310 helixtrans-56.6-22.8178.358.60000114.1L239 S242 D243 E247 L248L239-S245 WeakPolarHBondContact O-CA 3.14Å; L239-S245 PolarHBondContact O-N 2.73Å; L239-S245 VanDerWaalsContact O-N 3.16Å; S242-S245 WeakPolarHBondContact O-CB 3.2Å; S242-S245 PolarHBondContact O-N 2.86Å; S242-S245 VanDerWaalsContact O-N 3.08Å; S242-S245 PolarHBondContact O-OG 3.49Å; D243-S245 VanDerWaalsContact C-N 3.29Å; D243-S245 PolarHBondContact O-N 3.22Å; S245-E247 VanDerWaalsContact C-N 3.26Å; S245-E247 PolarHBondContact O-N 3.5Å; S245-L248 PolarHBondContact O-N 2.82Å
246K94.6Very high95.6Very high195 Ų19574.7 Ų74.785%0.84841%0.411SS*.G310 helixtrans-70.3-17.2174.8-62176.9-176.7172.40113.9H244 L248H244-K246 PolarHBondContact O-N 3.3Å; K246-L248 VanDerWaalsContact C-N 3.29Å
247E94.9Very high95.6Very high101 Ų10175.9 Ų75.947%0.47242%0.417SS..G310 helixtrans-77.6-19.8175.9-61.3178.6-159.700111.9H244 S245 L259H244-E247 HydrophobicContact CB-CG 4.46Å; H244-E247 IonicContact CE1-OE1 3.96Å; H244-E247 IonicContact CG-OE1 3.21Å; H244-E247 IonicContact ND1-OE1 3.65Å; H244-E247 PolarHBondContact ND1-OE1 3.33Å; H244-E247 WeakPolarHBondContact O-CB 3.27Å; H244-E247 PolarHBondContact O-N 3.06Å; S245-E247 VanDerWaalsContact C-N 3.26Å; S245-E247 PolarHBondContact O-N 3.5Å; E247-L259 HydrophobicContact CB-CD1 4.21Å; E247-L259 WeakPolarHBondContact O-CD1 3.42Å
248L97.7Very high95.7Very high13 Ų1373.2 Ų73.27%0.06840%0.403CS..BIsolated β-bridgetrans-75.4136.8177.3-61.1175.6000110.4L236 L239 K240 S245 K246 N257 V258 L259L236-L248 HydrophobicContact CD2-CD2 3.82Å; L239-L248 HydrophobicContact CB-CD1 4.41Å; L239-L248 HydrophobicContact CB-CD2 4.41Å; L239-L248 HydrophobicContact CB-CG 4.47Å; L239-L248 HydrophobicContact CD1-CD2 4.29Å; K240-L248 HydrophobicContact CB-CD1 3.71Å; K240-L248 HydrophobicContact CD-CD1 3.94Å; K240-L248 HydrophobicContact CG-CD1 4.41Å; S245-L248 PolarHBondContact O-N 2.82Å; K246-L248 VanDerWaalsContact C-N 3.29Å; L248-N257 HydrophobicContact CD1-CB 4.24Å; L248-N257 HydrophobicContact CD2-CB 4.5Å; L248-V258 CarbonylContact C-O 3.55Å; L248-V258 WeakPolarHBondContact CA-O 3.46Å; L248-L259 HydrophobicContact CD2-CB 4.45Å
249A97.5Very high95.8Very high25 Ų2570.1 Ų70.121%0.20739%0.392CS..  trans-65.2148.8177.900000111.4I254 V258 I260A249-I254 HydrophobicContact CB-CD1 4.35Å; A249-I254 HydrophobicContact CB-CG1 4.29Å; A249-I254 HydrophobicContact CB-CG2 4.45Å; A249-V258 HydrophobicContact CB-CB 4.42Å; A249-V258 HydrophobicContact CB-CG1 4.42Å; A249-V258 PolarHBondContact N-O 2.88Å; A249-I260 HydrophobicContact CB-CD1 3.7Å; A249-I260 HydrophobicContact CB-CG1 3.91Å
250T96.1Very high95.9Very high131 Ų13172.1 Ų72.180%0.80440%0.402SS*.  trans-133.6146.6175.560.10000109.5
251G95.6Very high96Very high43 Ų4369.1 Ų69.144%0.44339%0.39SS..SBendtrans163.1164.617800000110.7N253 I254G251-N253 PolarHBondContact O-N 2.67Å; G251-N253 VanDerWaalsContact O-N 3.15Å; G251-I254 PolarHBondContact O-N 3.44Å; G251-I254 VanDerWaalsContact O-N 3.14Å
252S96.3Very high96.2Very high125 Ų12566.8 Ų66.887%0.87439%0.39SS*.THydrogen-bonded Turntrans-62.9-19.3177.253.50000113.1
253N97.6Very high96.5Very high32 Ų3269.3 Ų69.317%0.17140%0.404CS..THydrogen-bonded Turntrans-101.75.5-179.669.7-41.2000114.2G251 C270 V271 L272G251-N253 PolarHBondContact O-N 2.67Å; G251-N253 VanDerWaalsContact O-N 3.15Å; N253-C270 WeakPolarHBondContact CB-O 3.34Å; N253-C270 PolarHBondContact ND2-O 2.98Å; N253-V271 WeakPolarHBondContact O-CA 3.39Å; N253-L272 PolarHBondContact O-N 3.33Å
254I98.3Very high96.9Very high24 Ų2462.7 Ų62.712%0.12337%0.371CS..BIsolated β-bridgetrans-108.4123.2178.7-55.4-58.3000109A249 G251 V258 I260 L272A249-I254 HydrophobicContact CB-CD1 4.35Å; A249-I254 HydrophobicContact CB-CG1 4.29Å; A249-I254 HydrophobicContact CB-CG2 4.45Å; G251-I254 PolarHBondContact O-N 3.44Å; G251-I254 VanDerWaalsContact O-N 3.14Å; I254-V258 HydrophobicContact CD1-CG1 4.5Å; I254-V258 HydrophobicContact CG2-CB 3.77Å; I254-V258 HydrophobicContact CG2-CG2 3.69Å; I254-I260 HydrophobicContact CD1-CD1 4.28Å; I254-L272 HydrophobicContact CD1-CB 3.93Å; I254-L272 HydrophobicContact CD1-CD1 4.07Å; I254-L272 HydrophobicContact CD1-CG 4.26Å
255H97.7Very high97.3Very high98 Ų9862.8 Ų62.845%0.45438%0.381SS..  trans-116.6124.4178.3-60.4-84.6000111V271 L272 G273 P274H255-V271 WeakPolarHBondContact CD2-CG1 3.23Å; H255-V271 WeakPolarHBondContact NE2-CG1 3.4Å; H255-L272 PolarHBondContact N-O 2.56Å; H255-G273 CarbonylContact O-C 3.55Å; H255-G273 VanDerWaalsContact O-CA 3.24Å; H255-G273 WeakPolarHBondContact O-CA 3.18Å; H255-P274 WeakPolarHBondContact O-CA 3.21Å
256G97.3Very high97.5Very high56 Ų5662.4 Ų62.458%0.57738%0.376SS*.SBendtrans68.1-150.5-17600000112.2
257N98.4Very high97.7Very high25 Ų2553.8 Ų53.813%0.13434%0.34CS..  trans-90.3122.2-176.7-59.9-40.9000110.8L236 N237 L248 S275 V276L236-N257 HydrophobicContact CB-CB 3.85Å; N237-N257 PolarHBondContact OD1-ND2 3.39Å; L248-N257 HydrophobicContact CD1-CB 4.24Å; L248-N257 HydrophobicContact CD2-CB 4.5Å; N257-S275 WeakPolarHBondContact O-CA 3.37Å; N257-S275 PolarHBondContact O-N 3.03Å; N257-V276 PolarHBondContact O-N 2.93Å
258V98.8Very high97.8Very high0 Ų054.3 Ų54.30%035%0.353CS..EExtended strand (participates in β ladder)trans-134.1134.3178178.20000108.7L248 A249 I254 I260 L272 V276L248-V258 CarbonylContact C-O 3.55Å; L248-V258 WeakPolarHBondContact CA-O 3.46Å; A249-V258 HydrophobicContact CB-CB 4.42Å; A249-V258 HydrophobicContact CB-CG1 4.42Å; A249-V258 PolarHBondContact N-O 2.88Å; I254-V258 HydrophobicContact CD1-CG1 4.5Å; I254-V258 HydrophobicContact CG2-CB 3.77Å; I254-V258 HydrophobicContact CG2-CG2 3.69Å; V258-I260 HydrophobicContact CG1-CD1 4.24Å; V258-I260 HydrophobicContact CG1-CG1 3.87Å; V258-L272 HydrophobicContact CG1-CB 4.13Å; V258-L272 HydrophobicContact CG1-CD1 4.24Å; V258-L272 HydrophobicContact CG2-CB 4.22Å; V258-V276 CarbonylContact C-O 3.53Å; V258-V276 VanDerWaalsContact CA-O 3.29Å; V258-V276 WeakPolarHBondContact CA-O 3.44Å; V258-V276 HydrophobicContact CG1-CB 4.01Å; V258-V276 HydrophobicContact CG1-CG1 4.16Å; V258-V276 HydrophobicContact CG2-CB 4.1Å
259L98.6Very high97.8Very high12 Ų1257 Ų576%0.06337%0.37CS..EExtended strand (participates in β ladder)trans-113.1121.8176-178.267.4000109C29 N30 L236 E247 L248 V276 V277 I278C29-L259 HydrophobicContact CB-CD2 3.91Å; N30-L259 HydrophobicContact CB-CD2 4.36Å; L236-L259 HydrophobicContact CD2-CB 3.7Å; L236-L259 HydrophobicContact CD2-CD2 4.37Å; E247-L259 HydrophobicContact CB-CD1 4.21Å; E247-L259 WeakPolarHBondContact O-CD1 3.42Å; L248-L259 HydrophobicContact CD2-CB 4.45Å; L259-V276 PolarHBondContact N-O 3.42Å; L259-V277 HydrophobicContact CB-CG2 4.33Å; L259-V277 HydrophobicContact CD2-CG1 4.45Å; L259-V277 CarbonylContact O-C 3.4Å; L259-V277 WeakPolarHBondContact O-CA 3.32Å; L259-I278 PolarHBondContact O-N 3.28Å
260I98.5Very high97.9Very high44 Ų4455.8 Ų55.823%0.22636%0.36CS..EExtended strand (participates in β ladder)trans-120.2122.8179.7-55.1177.9000108A249 I254 V258 A264 V266 L272 I278A249-I260 HydrophobicContact CB-CD1 3.7Å; A249-I260 HydrophobicContact CB-CG1 3.91Å; I254-I260 HydrophobicContact CD1-CD1 4.28Å; V258-I260 HydrophobicContact CG1-CD1 4.24Å; V258-I260 HydrophobicContact CG1-CG1 3.87Å; I260-A264 HydrophobicContact CG2-CB 3.92Å; I260-V266 HydrophobicContact CD1-CG2 4.45Å; I260-V266 HydrophobicContact CG2-CG2 4.23Å; I260-L272 HydrophobicContact CD1-CD1 3.85Å; I260-L272 HydrophobicContact CG1-CD1 4.49Å; I260-I278 HydrophobicContact CB-CB 4.46Å; I260-I278 HydrophobicContact CG1-CB 4.33Å; I260-I278 HydrophobicContact CG1-CG1 4.12Å; I260-I278 HydrophobicContact CG2-CB 4.18Å; I260-I278 HydrophobicContact CG2-CG2 4.46Å
261H98.5Very high98Very high56 Ų5651 Ų5126%0.25933%0.33SS..  trans-64.1138.9175.1-168.9-88.8000110N30 T263 A264 I278 P280N30-H261 PolarHBondContact ND2-N 3.1Å; H261-T263 PolarHBondContact CE1-OG1 3.27Å; H261-T263 PolarHBondContact ND1-N 3.11Å; H261-T263 PolarHBondContact ND1-OG1 2.84Å; H261-T263 PolarHBondContact O-N 2.83Å; H261-A264 WeakPolarHBondContact O-CB 3.23Å; H261-A264 PolarHBondContact O-N 3.37Å; H261-I278 WeakPolarHBondContact CB-O 3.43Å; H261-I278 PolarHBondContact N-O 3.02Å; H261-P280 HydrophobicContact CB-CB 4.39Å
262P97.7Very high98.2Very high123 Ų12349 Ų4980%0.79931%0.309SS*.THydrogen-bonded Turntrans-58.4-18.7-176.2-28.535.5000116.1
263T98.4Very high98.2Very high75 Ų7543.1 Ų43.146%0.4627%0.268SS..THydrogen-bonded Turntrans-95.2-0.9178.265.20000113.8H261 P280 K281H261-T263 PolarHBondContact CE1-OG1 3.27Å; H261-T263 PolarHBondContact ND1-N 3.11Å; H261-T263 PolarHBondContact ND1-OG1 2.84Å; H261-T263 PolarHBondContact O-N 2.83Å; T263-P280 WeakPolarHBondContact OG1-CA 3.31Å; T263-K281 WeakPolarHBondContact O-CA 3.47Å; T263-K281 PolarHBondContact OG1-N 2.93Å
264A98.6Very high98.3Very high20 Ų2044.2 Ų44.217%0.16528%0.277CS..  trans-78.1147.2173.900000110.5I260 H261 I278 C282I260-A264 HydrophobicContact CG2-CB 3.92Å; H261-A264 WeakPolarHBondContact O-CB 3.23Å; H261-A264 PolarHBondContact O-N 3.37Å; A264-I278 HydrophobicContact CB-CG2 3.67Å; A264-C282 CarbonylContact C-O 3.51Å; A264-C282 WeakPolarHBondContact CA-O 3.23Å; A264-C282 HydrophobicContact CB-CB 4.48Å
265S98.6Very high98.2Very high76 Ų7643.3 Ų43.353%0.53127%0.273SS..EExtended strand (participates in β ladder)trans-110.8119.3173.1-176.30000109C282 I283 V284S265-C282 PolarHBondContact N-O 3.39Å; S265-I283 CarbonylContact O-C 3.57Å; S265-I283 WeakPolarHBondContact O-CA 3.46Å; S265-V284 PolarHBondContact O-N 3.13Å
266V98.5Very high98.3Very high37 Ų3738.7 Ų38.722%0.22425%0.252CS..EExtended strand (participates in β ladder)trans-125.3126.7-179.1179.20000108.3I260 C270 L272 I278 V284I260-V266 HydrophobicContact CD1-CG2 4.45Å; I260-V266 HydrophobicContact CG2-CG2 4.23Å; V266-C270 HydrophobicContact CG1-CB 3.91Å; V266-L272 HydrophobicContact CG1-CD1 3.88Å; V266-I278 HydrophobicContact CG2-CG2 4.38Å; V266-V284 HydrophobicContact CB-CB 4.5Å; V266-V284 HydrophobicContact CG1-CB 4.28Å; V266-V284 HydrophobicContact CG2-CB 4.24Å; V266-V284 HydrophobicContact CG2-CG2 4.15Å
267S98.2Very high98.4Very high13 Ų1336 Ų369%0.09122%0.224CC..  trans-61.2140.3175.2170.30000111.5T269 C270 V284 D286S267-T269 PolarHBondContact O-N 3.23Å; S267-T269 VanDerWaalsContact O-N 3.1Å; S267-T269 PolarHBondContact OG-N 3.49Å; S267-T269 PolarHBondContact OG-OG1 3.44Å; S267-C270 WeakPolarHBondContact O-CB 3.21Å; S267-C270 PolarHBondContact O-N 2.63Å; S267-C270 VanDerWaalsContact O-N 3.09Å; S267-C270 PolarHBondContact O-SG 3.42Å; S267-V284 PolarHBondContact N-O 2.95Å; S267-D286 WeakPolarHBondContact CB-OD1 3.45Å; S267-D286 PolarHBondContact OG-OD1 2.89Å
268P97Very high98.4Very high113 Ų11334.8 Ų34.873%0.73422%0.218SC*.THydrogen-bonded Turntrans-63.3-14.7174.827.3-35.5000113.3
269T98.2Very high98.4Very high69 Ų6934.9 Ų34.942%0.42322%0.218SC..THydrogen-bonded Turntrans-89.3-9.8177.568.70000113.6S267 D286 G287 R289S267-T269 PolarHBondContact O-N 3.23Å; S267-T269 VanDerWaalsContact O-N 3.1Å; S267-T269 PolarHBondContact OG-N 3.49Å; S267-T269 PolarHBondContact OG-OG1 3.44Å; T269-D286 VanDerWaalsContact OG1-CA 3.29Å; T269-D286 WeakPolarHBondContact OG1-CA 3.31Å; T269-G287 PolarHBondContact OG1-N 3.15Å; T269-R289 PolarHBondContact O-NH1 2.93Å
270C98.5Very high98.4Very high0 Ų035.2 Ų35.20%022%0.221CC..  trans-64152.7171.5-560000110N253 V266 S267 L272 V284 E285 V288N253-C270 WeakPolarHBondContact CB-O 3.34Å; N253-C270 PolarHBondContact ND2-O 2.98Å; V266-C270 HydrophobicContact CG1-CB 3.91Å; S267-C270 WeakPolarHBondContact O-CB 3.21Å; S267-C270 PolarHBondContact O-N 2.63Å; S267-C270 VanDerWaalsContact O-N 3.09Å; S267-C270 PolarHBondContact O-SG 3.42Å; C270-L272 HydrophobicContact CB-CD2 4.24Å; C270-L272 HydrophobicContact CB-CG 4.47Å; C270-V284 VanDerWaalsContact SG-CG1 3.58Å; C270-E285 PolarHBondContact SG-O 3.34Å; C270-V288 CarbonylContact C-O 3.51Å; C270-V288 VanDerWaalsContact CA-O 3.22Å; C270-V288 WeakPolarHBondContact CA-O 3.22Å
271V98.7Very high98.4Very high31 Ų3139.6 Ų39.619%0.18824%0.239CC..EExtended strand (participates in β ladder)trans-122.6120.5167178.60000108.4N253 H255 V288 R289 I290N253-V271 WeakPolarHBondContact O-CA 3.39Å; H255-V271 WeakPolarHBondContact CD2-CG1 3.23Å; H255-V271 WeakPolarHBondContact NE2-CG1 3.4Å; V271-V288 PolarHBondContact N-O 3.12Å; V271-R289 VanDerWaalsContact CB-CD 3.5Å; V271-R289 VanDerWaalsContact CG2-CZ 3.46Å; V271-R289 WeakPolarHBondContact O-CA 3.46Å; V271-I290 PolarHBondContact O-N 2.8Å; V271-I290 VanDerWaalsContact O-N 3.13Å
272L98.8Very high98.4Very high0 Ų037 Ų370%023%0.226CC..EExtended strand (participates in β ladder)trans-116.2138.6-173.7-53.5-176.7000110.7N253 I254 H255 V258 I260 V266 C270 I278 I290N253-L272 PolarHBondContact O-N 3.33Å; I254-L272 HydrophobicContact CD1-CB 3.93Å; I254-L272 HydrophobicContact CD1-CD1 4.07Å; I254-L272 HydrophobicContact CD1-CG 4.26Å; H255-L272 PolarHBondContact N-O 2.56Å; V258-L272 HydrophobicContact CG1-CB 4.13Å; V258-L272 HydrophobicContact CG1-CD1 4.24Å; V258-L272 HydrophobicContact CG2-CB 4.22Å; I260-L272 HydrophobicContact CD1-CD1 3.85Å; I260-L272 HydrophobicContact CG1-CD1 4.49Å; V266-L272 HydrophobicContact CG1-CD1 3.88Å; C270-L272 HydrophobicContact CB-CD2 4.24Å; C270-L272 HydrophobicContact CB-CG 4.47Å; L272-I278 HydrophobicContact CD1-CG1 4.19Å; L272-I290 HydrophobicContact CD2-CB 3.88Å; L272-I290 HydrophobicContact CD2-CD1 4.01Å; L272-I290 HydrophobicContact CD2-CG1 3.86Å
273G98.1Very high98.5Very high1 Ų134.6 Ų34.61%0.0121%0.206CC..  trans104166.5169.400000115H255 I290 R291H255-G273 CarbonylContact O-C 3.55Å; H255-G273 VanDerWaalsContact O-CA 3.24Å; H255-G273 WeakPolarHBondContact O-CA 3.18Å; G273-I290 PolarHBondContact N-O 3.17Å; G273-R291 WeakPolarHBondContact O-CG 3.32Å
274P98Very high98.5Very high56 Ų5631.1 Ų31.136%0.36419%0.185SC..SBendcis-77.1167.76.933.6-37.2000113.7H255 N292H255-P274 WeakPolarHBondContact O-CA 3.21Å; P274-N292 PolarHBondContact O-N 2.78Å
275S98.1Very high98.5Very high5 Ų532.5 Ų32.54%0.03519%0.188CC..SBendtrans57.554.1169.6-169.90000113.9N233 N257 N292 S293N233-S275 VanDerWaalsContact CA-OG 3.24Å; N233-S275 WeakPolarHBondContact CA-OG 3.34Å; N233-S275 WeakPolarHBondContact CB-OG 3.33Å; N233-S275 PolarHBondContact N-OG 2.62Å; N233-S275 WeakPolarHBondContact ND2-CB 3.14Å; N257-S275 WeakPolarHBondContact O-CA 3.37Å; N257-S275 PolarHBondContact O-N 3.03Å; S275-N292 CarbonylContact O-C 3.29Å; S275-N292 VanDerWaalsContact O-CA 3.25Å; S275-N292 WeakPolarHBondContact O-CA 3.29Å; S275-N292 PolarHBondContact O-N 3.21Å; S275-S293 PolarHBondContact O-N 2.94Å; S275-S293 VanDerWaalsContact O-N 3.13Å
276V98.8Very high98.5Very high0 Ų032.9 Ų32.90%018%0.184CC..EExtended strand (participates in β ladder)trans-113.3136179.4171.20000110.8N257 V258 L259 I278 I290 S293N257-V276 PolarHBondContact O-N 2.93Å; V258-V276 CarbonylContact C-O 3.53Å; V258-V276 VanDerWaalsContact CA-O 3.29Å; V258-V276 WeakPolarHBondContact CA-O 3.44Å; V258-V276 HydrophobicContact CG1-CB 4.01Å; V258-V276 HydrophobicContact CG1-CG1 4.16Å; V258-V276 HydrophobicContact CG2-CB 4.1Å; L259-V276 PolarHBondContact N-O 3.42Å; V276-I278 HydrophobicContact CG1-CD1 3.54Å; V276-I278 HydrophobicContact CG1-CG1 3.99Å; V276-I290 HydrophobicContact CG1-CB 4.34Å; V276-I290 HydrophobicContact CG1-CG2 3.93Å; V276-I290 HydrophobicContact CG2-CB 4.15Å; V276-I290 HydrophobicContact CG2-CG2 3.75Å; V276-I290 WeakPolarHBondContact CG2-O 3.24Å; V276-S293 VanDerWaalsContact CA-O 3.31Å; V276-S293 WeakPolarHBondContact CA-O 2.88Å
277V98.9Very high98.5Very high0 Ų031.8 Ų31.80%018%0.18CC..EExtended strand (participates in β ladder)trans-120.4122171178.10000108.8N30 T232 L236 L259 S293 T294 L295N30-V277 WeakPolarHBondContact OD1-CG1 3.48Å; T232-V277 HydrophobicContact CG2-CG2 3.49Å; T232-V277 VanDerWaalsContact CG2-CG2 3.49Å; L236-V277 HydrophobicContact CD1-CG2 4.12Å; L236-V277 HydrophobicContact CD2-CG2 4.4Å; L259-V277 HydrophobicContact CB-CG2 4.33Å; L259-V277 HydrophobicContact CD2-CG1 4.45Å; L259-V277 CarbonylContact O-C 3.4Å; L259-V277 WeakPolarHBondContact O-CA 3.32Å; V277-S293 PolarHBondContact N-O 2.87Å; V277-T294 HydrophobicContact CB-CG2 4.1Å; V277-T294 HydrophobicContact CG1-CG2 4.29Å; V277-T294 WeakPolarHBondContact O-CA 3.38Å; V277-L295 PolarHBondContact O-N 2.84Å
278I98.9Very high98.5Very high0 Ų031.2 Ų31.20%018%0.176CC..EExtended strand (participates in β ladder)trans-107114.9173.5-50.1-60.2000108.6N30 L259 I260 H261 A264 V266 L272 V276 C282 V284 I290 L295N30-I278 PolarHBondContact ND2-O 3.49Å; N30-I278 PolarHBondContact OD1-O 3.44Å; L259-I278 PolarHBondContact O-N 3.28Å; I260-I278 HydrophobicContact CB-CB 4.46Å; I260-I278 HydrophobicContact CG1-CB 4.33Å; I260-I278 HydrophobicContact CG1-CG1 4.12Å; I260-I278 HydrophobicContact CG2-CB 4.18Å; I260-I278 HydrophobicContact CG2-CG2 4.46Å; H261-I278 WeakPolarHBondContact CB-O 3.43Å; H261-I278 PolarHBondContact N-O 3.02Å; A264-I278 HydrophobicContact CB-CG2 3.67Å; V266-I278 HydrophobicContact CG2-CG2 4.38Å; L272-I278 HydrophobicContact CD1-CG1 4.19Å; V276-I278 HydrophobicContact CG1-CD1 3.54Å; V276-I278 HydrophobicContact CG1-CG1 3.99Å; I278-C282 HydrophobicContact CG2-CB 3.72Å; I278-V284 HydrophobicContact CD1-CG2 4.35Å; I278-V284 HydrophobicContact CG2-CG2 4.38Å; I278-I290 HydrophobicContact CD1-CD1 4.06Å; I278-L295 HydrophobicContact CD1-CD1 3.62Å; I278-L295 HydrophobicContact CD1-CG 3.88Å
279G98.7Very high98.6Very high1 Ų129.8 Ų29.81%0.0116%0.156CC..  trans-69.9170.8-178.700000115.3N30 C282 L295N30-G279 VanDerWaalsContact OD1-CA 3.3Å; N30-G279 WeakPolarHBondContact OD1-CA 3.45Å; G279-C282 PolarHBondContact O-N 3.25Å; G279-C282 PolarHBondContact O-SG 2.78Å; G279-C282 VanDerWaalsContact O-SG 3.37Å; G279-L295 WeakPolarHBondContact CA-O 3.4Å; G279-L295 PolarHBondContact N-O 2.92Å
280P98.5Very high98.6Very high19 Ų1926.5 Ų26.512%0.12314%0.136CC..THydrogen-bonded Turntrans-59.1140.5178.619.4-27.5000111.8H261 T263 C282 Q297 G298H261-P280 HydrophobicContact CB-CB 4.39Å; T263-P280 WeakPolarHBondContact OG1-CA 3.31Å; P280-C282 PolarHBondContact O-N 3.45Å; P280-Q297 HydrophobicContact CB-CG 4.31Å; P280-Q297 HydrophobicContact CG-CB 3.87Å; P280-Q297 HydrophobicContact CG-CG 3.84Å; P280-Q297 VanDerWaalsContact O-CA 3.32Å; P280-Q297 WeakPolarHBondContact O-CA 3.14Å; P280-Q297 WeakPolarHBondContact O-CG 3.24Å; P280-G298 PolarHBondContact O-N 2.99Å
281K98.6Very high98.6Very high137 Ų13731.3 Ų31.360%0.59615%0.154SC*.THydrogen-bonded Turntrans58.414.2176.2-51.8178179.4179.40114.7T263T263-K281 WeakPolarHBondContact O-CA 3.47Å; T263-K281 PolarHBondContact OG1-N 2.93Å
282C98.9Very high98.6Very high0 Ų032.1 Ų32.10%016%0.158CC..  trans-68.9149.1171.6-65.80000110.3A264 S265 I278 G279 P280 L296 S299A264-C282 CarbonylContact C-O 3.51Å; A264-C282 WeakPolarHBondContact CA-O 3.23Å; A264-C282 HydrophobicContact CB-CB 4.48Å; S265-C282 PolarHBondContact N-O 3.39Å; I278-C282 HydrophobicContact CG2-CB 3.72Å; G279-C282 PolarHBondContact O-N 3.25Å; G279-C282 PolarHBondContact O-SG 2.78Å; G279-C282 VanDerWaalsContact O-SG 3.37Å; P280-C282 PolarHBondContact O-N 3.45Å; C282-L296 PolarHBondContact SG-O 2.93Å; C282-S299 CarbonylContact C-O 3.6Å; C282-S299 WeakPolarHBondContact CA-O 3.33Å; C282-S299 WeakPolarHBondContact CB-O 3.25Å
283I98.9Very high98.6Very high73 Ų7332.2 Ų32.237%0.37416%0.158SC..EExtended strand (participates in β ladder)trans-121.1123.2175.4-58174.4000107.5S265 E285 S299 I300 I301S265-I283 CarbonylContact O-C 3.57Å; S265-I283 WeakPolarHBondContact O-CA 3.46Å; I283-E285 HydrophobicContact CG2-CG 4.39Å; I283-S299 PolarHBondContact N-O 3.04Å; I283-I300 HydrophobicContact CB-CG1 4.26Å; I283-I300 HydrophobicContact CB-CG2 4.29Å; I283-I300 HydrophobicContact CD1-CD1 4.46Å; I283-I300 HydrophobicContact CD1-CG1 4.42Å; I283-I300 CarbonylContact O-C 3.54Å; I283-I300 VanDerWaalsContact O-CA 3.32Å; I283-I300 WeakPolarHBondContact O-CA 3.17Å; I283-I301 PolarHBondContact O-N 3.03Å
284V98.9Very high98.7Very high2 Ų232.1 Ų32.11%0.01216%0.157CC..EExtended strand (participates in β ladder)trans-120111.1176.8-170.60000107.7S265 V266 S267 C270 I278 V288 I290 L295 I301S265-V284 PolarHBondContact O-N 3.13Å; V266-V284 HydrophobicContact CB-CB 4.5Å; V266-V284 HydrophobicContact CG1-CB 4.28Å; V266-V284 HydrophobicContact CG2-CB 4.24Å; V266-V284 HydrophobicContact CG2-CG2 4.15Å; S267-V284 PolarHBondContact N-O 2.95Å; C270-V284 VanDerWaalsContact SG-CG1 3.58Å; I278-V284 HydrophobicContact CD1-CG2 4.35Å; I278-V284 HydrophobicContact CG2-CG2 4.38Å; V284-V288 HydrophobicContact CG1-CB 3.67Å; V284-V288 HydrophobicContact CG1-CG1 3.54Å; V284-V288 HydrophobicContact CG1-CG2 4.1Å; V284-I290 HydrophobicContact CG1-CD1 4.13Å; V284-I290 HydrophobicContact CG2-CD1 4.47Å; V284-L295 HydrophobicContact CG2-CD1 3.97Å; V284-I301 HydrophobicContact CG1-CB 4.42Å
285E98.8Very high98.7Very high49 Ų4929.5 Ų29.523%0.22914%0.14CC..  trans-82.2-176.9-173.9-61.8-174.9174.500113C270 I283 V288 I301 R302 S303C270-E285 PolarHBondContact SG-O 3.34Å; I283-E285 HydrophobicContact CG2-CG 4.39Å; E285-V288 VanDerWaalsContact O-CG2 3.26Å; E285-V288 WeakPolarHBondContact O-CG2 3.37Å; E285-I301 PolarHBondContact N-O 3.02Å; E285-R302 WeakPolarHBondContact OE1-CD 3.47Å; E285-R302 IonicContact OE1-NE 3.66Å; E285-R302 IonicContact OE1-NH1 3.87Å; E285-R302 VanDerWaalsContact OE2-CA 3.27Å; E285-R302 WeakPolarHBondContact OE2-CA 3.25Å; E285-R302 WeakPolarHBondContact OE2-CD 3.32Å; E285-S303 VanDerWaalsContact CB-OG 3.31Å; E285-S303 WeakPolarHBondContact CB-OG 3.47Å; E285-S303 PolarHBondContact OE2-N 3.49Å; E285-S303 PolarHBondContact OE2-OG 2.98Å
286D98.7Very high98.8Very high85 Ų8529.4 Ų29.446%0.45514%0.139SC..THydrogen-bonded Turntrans-60.6142.4-169.6-68.6-19.5000113.4S267 T269 V288 S303 H304S267-D286 WeakPolarHBondContact CB-OD1 3.45Å; S267-D286 PolarHBondContact OG-OD1 2.89Å; T269-D286 VanDerWaalsContact OG1-CA 3.29Å; T269-D286 WeakPolarHBondContact OG1-CA 3.31Å; D286-V288 PolarHBondContact O-N 3.48Å; D286-S303 CarbonylContact O-C 3.53Å; D286-S303 WeakPolarHBondContact O-CA 3.23Å; D286-S303 WeakPolarHBondContact O-CB 3.3Å; D286-H304 PolarHBondContact O-N 2.94Å
287G98.3Very high98.7Very high14 Ų1432.6 Ų32.614%0.14415%0.154CC..THydrogen-bonded Turntrans68.21.6173.400000115.9T269 R289T269-G287 PolarHBondContact OG1-N 3.15Å; G287-R289 VanDerWaalsContact C-NH1 3.26Å; G287-R289 PolarHBondContact O-NH1 2.86Å
288V98.9Very high98.7Very high0 Ų033.7 Ų33.70%017%0.166CC..  trans-62.7146.4178.2173.10000111.5C270 V271 V284 E285 D286 I290 I301 R302 S305C270-V288 CarbonylContact C-O 3.51Å; C270-V288 VanDerWaalsContact CA-O 3.22Å; C270-V288 WeakPolarHBondContact CA-O 3.22Å; V271-V288 PolarHBondContact N-O 3.12Å; V284-V288 HydrophobicContact CG1-CB 3.67Å; V284-V288 HydrophobicContact CG1-CG1 3.54Å; V284-V288 HydrophobicContact CG1-CG2 4.1Å; E285-V288 VanDerWaalsContact O-CG2 3.26Å; E285-V288 WeakPolarHBondContact O-CG2 3.37Å; D286-V288 PolarHBondContact O-N 3.48Å; V288-I290 HydrophobicContact CG1-CD1 3.95Å; V288-I290 HydrophobicContact CG1-CG1 3.66Å; V288-I301 HydrophobicContact CG1-CB 4.42Å; V288-I301 HydrophobicContact CG1-CG2 3.69Å; V288-I301 HydrophobicContact CG2-CG2 3.99Å; V288-R302 WeakPolarHBondContact CG2-O 3.18Å; V288-S305 WeakPolarHBondContact CA-O 3.3Å
289R98.8Very high98.7Very high83 Ų8333.7 Ų33.731%0.31317%0.166SC..EExtended strand (participates in β ladder)trans-126.9125.2177.2-57.3-64.4178-105.28.1109.4T269 V271 G287 S305 W306 L307T269-R289 PolarHBondContact O-NH1 2.93Å; V271-R289 VanDerWaalsContact CB-CD 3.5Å; V271-R289 VanDerWaalsContact CG2-CZ 3.46Å; V271-R289 WeakPolarHBondContact O-CA 3.46Å; G287-R289 VanDerWaalsContact C-NH1 3.26Å; G287-R289 PolarHBondContact O-NH1 2.86Å; R289-S305 PolarHBondContact N-O 2.86Å; R289-W306 HydrophobicContact CB-CD2 4.08Å; R289-W306 HydrophobicContact CB-CE3 3.25Å; R289-W306 HydrophobicContact CB-CZ3 3.59Å; R289-W306 HydrophobicContact CG-CE3 3.73Å; R289-W306 HydrophobicContact CG-CZ3 3.94Å; R289-W306 WeakPolarHBondContact O-CA 3.32Å; R289-L307 PolarHBondContact O-N 2.87Å
290I98.9Very high98.7Very high1 Ų135.6 Ų35.61%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-131.6132.4-178.3-48.9-173.9000110V271 L272 G273 V276 I278 V284 V288 L295 L307V271-I290 PolarHBondContact O-N 2.8Å; V271-I290 VanDerWaalsContact O-N 3.13Å; L272-I290 HydrophobicContact CD2-CB 3.88Å; L272-I290 HydrophobicContact CD2-CD1 4.01Å; L272-I290 HydrophobicContact CD2-CG1 3.86Å; G273-I290 PolarHBondContact N-O 3.17Å; V276-I290 HydrophobicContact CG1-CB 4.34Å; V276-I290 HydrophobicContact CG1-CG2 3.93Å; V276-I290 HydrophobicContact CG2-CB 4.15Å; V276-I290 HydrophobicContact CG2-CG2 3.75Å; V276-I290 WeakPolarHBondContact CG2-O 3.24Å; I278-I290 HydrophobicContact CD1-CD1 4.06Å; V284-I290 HydrophobicContact CG1-CD1 4.13Å; V284-I290 HydrophobicContact CG2-CD1 4.47Å; V288-I290 HydrophobicContact CG1-CD1 3.95Å; V288-I290 HydrophobicContact CG1-CG1 3.66Å; I290-L295 HydrophobicContact CD1-CD1 3.96Å; I290-L307 CarbonylContact C-O 3.49Å; I290-L307 VanDerWaalsContact CA-O 3.28Å; I290-L307 WeakPolarHBondContact CA-O 3.26Å; I290-L307 HydrophobicContact CG1-CB 4.4Å; I290-L307 HydrophobicContact CG2-CB 4.2Å
291R98.6Very high98.7Very high101 Ų10134.7 Ų34.738%0.38117%0.169SC..EExtended strand (participates in β ladder)trans-139.5144.6175.9-55.5-167.5168.2166.20111.3G273 S293 L307 E308 T309G273-R291 WeakPolarHBondContact O-CG 3.32Å; R291-S293 WeakPolarHBondContact O-CB 3.39Å; R291-S293 PolarHBondContact O-N 2.84Å; R291-S293 PolarHBondContact O-OG 2.85Å; R291-L307 PolarHBondContact N-O 2.97Å; R291-E308 HydrophobicContact CB-CG 4.4Å; R291-E308 WeakPolarHBondContact O-CA 3.31Å; R291-T309 PolarHBondContact O-N 3.02Å
292N98.7Very high98.7Very high48 Ų4832.9 Ų32.926%0.25716%0.158SC..SBendtrans48.736.7174.1-56.8-45.5000113.5L229 P274 S275 T309L229-N292 WeakPolarHBondContact CD2-O 3.27Å; P274-N292 PolarHBondContact O-N 2.78Å; S275-N292 CarbonylContact O-C 3.29Å; S275-N292 VanDerWaalsContact O-CA 3.25Å; S275-N292 WeakPolarHBondContact O-CA 3.29Å; S275-N292 PolarHBondContact O-N 3.21Å; N292-T309 VanDerWaalsContact O-CA 3.23Å; N292-T309 WeakPolarHBondContact O-CA 3.17Å
293S98.9Very high98.7Very high1 Ų133.8 Ų33.81%0.00717%0.165CC..  trans-136.9153.2-167.5-60.50000112.4S275 V276 V277 R291 T309 C310S275-S293 PolarHBondContact O-N 2.94Å; S275-S293 VanDerWaalsContact O-N 3.13Å; V276-S293 VanDerWaalsContact CA-O 3.31Å; V276-S293 WeakPolarHBondContact CA-O 2.88Å; V277-S293 PolarHBondContact N-O 2.87Å; R291-S293 WeakPolarHBondContact O-CB 3.39Å; R291-S293 PolarHBondContact O-N 2.84Å; R291-S293 PolarHBondContact O-OG 2.85Å; S293-T309 PolarHBondContact OG-N 2.82Å; S293-T309 VanDerWaalsContact OG-N 3.15Å; S293-C310 CarbonylContact C-O 3.54Å; S293-C310 WeakPolarHBondContact CA-O 3.4Å; S293-C310 VanDerWaalsContact CB-O 3.25Å; S293-C310 WeakPolarHBondContact CB-O 3.33Å; S293-C310 PolarHBondContact OG-N 2.93Å
294T98.8Very high98.7Very high0 Ų034.3 Ų34.30%017%0.166CC..EExtended strand (participates in β ladder)trans-122.7130.6178.3-66.40000109.8F228 V277 L296 C310 I311 I312F228-T294 HydrophobicContact CE1-CG2 4.31Å; V277-T294 HydrophobicContact CB-CG2 4.1Å; V277-T294 HydrophobicContact CG1-CG2 4.29Å; V277-T294 WeakPolarHBondContact O-CA 3.38Å; T294-L296 HydrophobicContact CG2-CD2 3.84Å; T294-C310 PolarHBondContact N-O 2.89Å; T294-I311 WeakPolarHBondContact O-CA 3.35Å; T294-I312 PolarHBondContact O-N 2.84Å
295L98.9Very high98.7Very high0 Ų034.3 Ų34.30%017%0.165CC..EExtended strand (participates in β ladder)trans-105.9121.2169.7-49.4-171.7000109.3V277 I278 G279 V284 I290 I301 L307 I312V277-L295 PolarHBondContact O-N 2.84Å; I278-L295 HydrophobicContact CD1-CD1 3.62Å; I278-L295 HydrophobicContact CD1-CG 3.88Å; G279-L295 WeakPolarHBondContact CA-O 3.4Å; G279-L295 PolarHBondContact N-O 2.92Å; V284-L295 HydrophobicContact CG2-CD1 3.97Å; I290-L295 HydrophobicContact CD1-CD1 3.96Å; L295-I301 HydrophobicContact CD1-CD1 4.23Å; L295-I301 HydrophobicContact CD1-CG1 3.58Å; L295-I301 HydrophobicContact CD2-CD1 4.05Å; L295-I301 HydrophobicContact CD2-CG1 4.2Å; L295-L307 HydrophobicContact CD2-CD2 3.95Å; L295-I312 HydrophobicContact CD2-CB 3.55Å; L295-I312 HydrophobicContact CD2-CG1 3.29Å; L295-I312 HydrophobicContact CD2-CG2 4.33Å
296L98.7Very high98.7Very high3 Ų335.2 Ų35.22%0.01617%0.167CC..  trans-86169.1174.2-56.7-176.8000111.4L17 V26 E27 C282 T294 G298 S299 I312 W314L17-L296 HydrophobicContact CD1-CD1 4.46Å; L17-L296 HydrophobicContact CD2-CD1 3.98Å; V26-L296 HydrophobicContact CG1-CD1 4.4Å; E27-L296 HydrophobicContact CB-CD2 4.34Å; C282-L296 PolarHBondContact SG-O 2.93Å; T294-L296 HydrophobicContact CG2-CD2 3.84Å; L296-G298 PolarHBondContact O-N 3.15Å; L296-S299 PolarHBondContact O-N 3.14Å; L296-S299 PolarHBondContact O-OG 2.95Å; L296-I312 WeakPolarHBondContact CB-O 3.49Å; L296-I312 PolarHBondContact N-O 2.7Å; L296-W314 HydrophobicContact CB-CD2 4.29Å; L296-W314 HydrophobicContact CB-CG 4.13Å; L296-W314 HydrophobicContact CD1-CD2 3.99Å; L296-W314 HydrophobicContact CD1-CE3 4.3Å; L296-W314 HydrophobicContact CD1-CH2 3.78Å; L296-W314 HydrophobicContact CD1-CZ2 3.43Å; L296-W314 VanDerWaalsContact CD1-CZ2 3.43Å; L296-W314 HydrophobicContact CD1-CZ3 4.21Å
297Q98.3Very high98.7Very high68 Ų6831.2 Ų31.232%0.31815%0.145SC..THydrogen-bonded Turntrans-49133.5-163.7-177.9179.3-71.900114.4P280 S299 W314 R315P280-Q297 HydrophobicContact CB-CG 4.31Å; P280-Q297 HydrophobicContact CG-CB 3.87Å; P280-Q297 HydrophobicContact CG-CG 3.84Å; P280-Q297 VanDerWaalsContact O-CA 3.32Å; P280-Q297 WeakPolarHBondContact O-CA 3.14Å; P280-Q297 WeakPolarHBondContact O-CG 3.24Å; Q297-S299 VanDerWaalsContact C-N 3.29Å; Q297-S299 PolarHBondContact O-N 2.84Å; Q297-W314 WeakPolarHBondContact O-CA 3.22Å; Q297-R315 PolarHBondContact O-N 2.8Å
298G98.4Very high98.7Very high23 Ų2333.3 Ų33.324%0.23715%0.151CC..THydrogen-bonded Turntrans76.212.2166.800000115P280 L296P280-G298 PolarHBondContact O-N 2.99Å; L296-G298 PolarHBondContact O-N 3.15Å
299S98.8Very high98.7Very high0 Ų035 Ų350%016%0.162CC..  trans-81.8143.7178.7-68.70000112.3C282 I283 L296 Q297 G313 R315 C316C282-S299 CarbonylContact C-O 3.6Å; C282-S299 WeakPolarHBondContact CA-O 3.33Å; C282-S299 WeakPolarHBondContact CB-O 3.25Å; I283-S299 PolarHBondContact N-O 3.04Å; L296-S299 PolarHBondContact O-N 3.14Å; L296-S299 PolarHBondContact O-OG 2.95Å; Q297-S299 VanDerWaalsContact C-N 3.29Å; Q297-S299 PolarHBondContact O-N 2.84Å; S299-G313 PolarHBondContact OG-O 2.83Å; S299-R315 PolarHBondContact OG-N 2.84Å; S299-C316 CarbonylContact C-O 3.5Å; S299-C316 VanDerWaalsContact CA-O 3.23Å; S299-C316 WeakPolarHBondContact CA-O 3.39Å; S299-C316 PolarHBondContact OG-N 2.93Å
300I98.9Very high98.7Very high41 Ų4131.1 Ų31.121%0.2115%0.147CC..EExtended strand (participates in β ladder)trans-113.9122.2-177.9-55.1177.3000108.3I283 C316 T317 V318I283-I300 HydrophobicContact CB-CG1 4.26Å; I283-I300 HydrophobicContact CB-CG2 4.29Å; I283-I300 HydrophobicContact CD1-CD1 4.46Å; I283-I300 HydrophobicContact CD1-CG1 4.42Å; I283-I300 CarbonylContact O-C 3.54Å; I283-I300 VanDerWaalsContact O-CA 3.32Å; I283-I300 WeakPolarHBondContact O-CA 3.17Å; I300-C316 PolarHBondContact N-O 3.19Å; I300-T317 CarbonylContact O-C 3.56Å; I300-T317 WeakPolarHBondContact O-CA 3.38Å; I300-V318 PolarHBondContact O-N 2.48Å
301I98.9Very high98.7Very high0 Ų031 Ų310%015%0.147CC..EExtended strand (participates in β ladder)trans-107.7110.3171.3-47.4-56.3000107.5I283 V284 E285 V288 L295 L307 I312 V318I283-I301 PolarHBondContact O-N 3.03Å; V284-I301 HydrophobicContact CG1-CB 4.42Å; E285-I301 PolarHBondContact N-O 3.02Å; V288-I301 HydrophobicContact CG1-CB 4.42Å; V288-I301 HydrophobicContact CG1-CG2 3.69Å; V288-I301 HydrophobicContact CG2-CG2 3.99Å; L295-I301 HydrophobicContact CD1-CD1 4.23Å; L295-I301 HydrophobicContact CD1-CG1 3.58Å; L295-I301 HydrophobicContact CD2-CD1 4.05Å; L295-I301 HydrophobicContact CD2-CG1 4.2Å; I301-L307 HydrophobicContact CD1-CD2 3.77Å; I301-L307 HydrophobicContact CG1-CD2 4.23Å; I301-L307 HydrophobicContact CG2-CD1 3.84Å; I301-L307 HydrophobicContact CG2-CD2 4.39Å; I301-I312 HydrophobicContact CD1-CG1 4.39Å; I301-I312 HydrophobicContact CD1-CG2 4.4Å; I301-V318 HydrophobicContact CD1-CB 3.73Å; I301-V318 HydrophobicContact CD1-CG2 3.59Å; I301-V318 HydrophobicContact CG2-CB 4.44Å
302R98.8Very high98.7Very high98 Ų9826.2 Ų26.237%0.3713%0.129SC..  trans-73.9164.5-177.8-60-66.2-171.4119.63111.8E285 V288 S305 T317 V318 Q320E285-R302 WeakPolarHBondContact OE1-CD 3.47Å; E285-R302 IonicContact OE1-NE 3.66Å; E285-R302 IonicContact OE1-NH1 3.87Å; E285-R302 VanDerWaalsContact OE2-CA 3.27Å; E285-R302 WeakPolarHBondContact OE2-CA 3.25Å; E285-R302 WeakPolarHBondContact OE2-CD 3.32Å; V288-R302 WeakPolarHBondContact CG2-O 3.18Å; R302-S305 PolarHBondContact O-OG 3.09Å; R302-T317 HydrophobicContact CG-CG2 4.41Å; R302-V318 VanDerWaalsContact CB-O 3.25Å; R302-V318 WeakPolarHBondContact CB-O 3.27Å; R302-V318 WeakPolarHBondContact CG-O 3.01Å; R302-V318 PolarHBondContact N-O 3.1Å; R302-Q320 HydrophobicContact CB-CG 3.74Å
303S98.7Very high98.7Very high19 Ų1924 Ų2413%0.13312%0.117CC..THydrogen-bonded Turntrans-53.4143.7-168.5-59.20000113.8E285 D286 S305 Q320 W321E285-S303 VanDerWaalsContact CB-OG 3.31Å; E285-S303 WeakPolarHBondContact CB-OG 3.47Å; E285-S303 PolarHBondContact OE2-N 3.49Å; E285-S303 PolarHBondContact OE2-OG 2.98Å; D286-S303 CarbonylContact O-C 3.53Å; D286-S303 WeakPolarHBondContact O-CA 3.23Å; D286-S303 WeakPolarHBondContact O-CB 3.3Å; S303-S305 PolarHBondContact O-N 3.01Å; S303-Q320 VanDerWaalsContact O-CA 3.3Å; S303-Q320 WeakPolarHBondContact O-CA 3.25Å; S303-W321 PolarHBondContact O-N 3.25Å
304H98.6Very high98.7Very high85 Ų8524 Ų2439%0.39412%0.117SC..THydrogen-bonded Turntrans62.415.4174.8-50.5-65.5000116.9D286 W321D286-H304 PolarHBondContact O-N 2.94Å; H304-W321 HydrophobicContact CB-CD2 3.62Å; H304-W321 HydrophobicContact CB-CE3 3.46Å; H304-W321 VanDerWaalsContact CB-CE3 3.46Å; H304-W321 HydrophobicContact CB-CG 4.42Å; H304-W321 HydrophobicContact CB-CH2 3.62Å; H304-W321 HydrophobicContact CB-CZ2 3.76Å; H304-W321 HydrophobicContact CB-CZ3 3.48Å; H304-W321 VanDerWaalsContact CB-CZ3 3.48Å; H304-W321 AromaticContact CD2-CE2 3.77Å; H304-W321 AromaticContact CD2-CH2 3.77Å; H304-W321 AromaticContact CD2-CZ2 3.34Å; H304-W321 WeakPolarHBondContact CD2-CZ2 3.37Å; H304-W321 AromaticContact CG-CE2 3.97Å; H304-W321 AromaticContact CG-CH2 3.51Å; H304-W321 AromaticContact CG-CZ2 3.55Å; H304-W321 AromaticContact CG-CZ3 3.91Å
305S98.8Very high98.7Very high1 Ų128.1 Ų28.11%0.00713%0.132CC..  trans-81.4150.1175.4-66.20000113.3V288 R289 R302 S303 G319 W321 V322V288-S305 WeakPolarHBondContact CA-O 3.3Å; R289-S305 PolarHBondContact N-O 2.86Å; R302-S305 PolarHBondContact O-OG 3.09Å; S303-S305 PolarHBondContact O-N 3.01Å; S305-G319 PolarHBondContact OG-O 3.24Å; S305-W321 PolarHBondContact OG-N 3.13Å; S305-V322 CarbonylContact C-O 3.55Å; S305-V322 VanDerWaalsContact CA-O 3.25Å; S305-V322 WeakPolarHBondContact CA-O 3.11Å; S305-V322 WeakPolarHBondContact CB-O 3.42Å; S305-V322 PolarHBondContact OG-N 3.41Å
306W98.7Very high98.7Very high69 Ų6928.1 Ų28.126%0.26113%0.132SC..EExtended strand (participates in β ladder)trans-117.5119.1179.2176.5-81.6000110.5R289 E308 V322 R323 M324R289-W306 HydrophobicContact CB-CD2 4.08Å; R289-W306 HydrophobicContact CB-CE3 3.25Å; R289-W306 HydrophobicContact CB-CZ3 3.59Å; R289-W306 HydrophobicContact CG-CE3 3.73Å; R289-W306 HydrophobicContact CG-CZ3 3.94Å; R289-W306 WeakPolarHBondContact O-CA 3.32Å; W306-E308 PolarHBondContact NE1-OE2 2.96Å; W306-V322 PolarHBondContact N-O 2.67Å; W306-R323 HydrophobicContact CB-CG 4.47Å; W306-R323 CarbonylContact O-C 3.57Å; W306-R323 WeakPolarHBondContact O-CA 3.22Å; W306-M324 PolarHBondContact O-N 3.02Å
307L98.8Very high98.7Very high0 Ų029.7 Ų29.70%014%0.142CC..EExtended strand (participates in β ladder)trans-120.4119.2177.7-78.164.6000109.6R289 I290 R291 L295 I301 I312 V318 M324R289-L307 PolarHBondContact O-N 2.87Å; I290-L307 CarbonylContact C-O 3.49Å; I290-L307 VanDerWaalsContact CA-O 3.28Å; I290-L307 WeakPolarHBondContact CA-O 3.26Å; I290-L307 HydrophobicContact CG1-CB 4.4Å; I290-L307 HydrophobicContact CG2-CB 4.2Å; R291-L307 PolarHBondContact N-O 2.97Å; L295-L307 HydrophobicContact CD2-CD2 3.95Å; I301-L307 HydrophobicContact CD1-CD2 3.77Å; I301-L307 HydrophobicContact CG1-CD2 4.23Å; I301-L307 HydrophobicContact CG2-CD1 3.84Å; I301-L307 HydrophobicContact CG2-CD2 4.39Å; L307-I312 HydrophobicContact CD2-CD1 3.97Å; L307-I312 HydrophobicContact CD2-CG1 3.71Å; L307-V318 HydrophobicContact CD1-CG1 4.37Å; L307-M324 HydrophobicContact CG-CB 4.34Å; L307-M324 HydrophobicContact CG-SD 4.3Å
308E98.6Very high98.7Very high58 Ų5826.5 Ų26.527%0.27113%0.127SC..EExtended strand (participates in β ladder)trans-129.5129.4175.2178.3163.9-159.900110.8R291 W306 C310 M324 E325R291-E308 HydrophobicContact CB-CG 4.4Å; R291-E308 WeakPolarHBondContact O-CA 3.31Å; W306-E308 PolarHBondContact NE1-OE2 2.96Å; E308-C310 PolarHBondContact O-N 3.27Å; E308-C310 PolarHBondContact O-SG 3.42Å; E308-M324 PolarHBondContact N-O 2.86Å; E308-E325 HydrophobicContact CB-CG 4.47Å; E308-E325 VanDerWaalsContact O-CA 3.29Å; E308-E325 WeakPolarHBondContact O-CA 3.28Å
309T98.5Very high98.7Very high37 Ų3725.5 Ų25.523%0.22712%0.117CC..SBendtrans5654.6178.8-45.30000111.9L229 R291 N292 S293 V327 T328L229-T309 HydrophobicContact CD1-CG2 3.64Å; R291-T309 PolarHBondContact O-N 3.02Å; N292-T309 VanDerWaalsContact O-CA 3.23Å; N292-T309 WeakPolarHBondContact O-CA 3.17Å; S293-T309 PolarHBondContact OG-N 2.82Å; S293-T309 VanDerWaalsContact OG-N 3.15Å; T309-V327 HydrophobicContact CG2-CB 4.48Å; T309-V327 HydrophobicContact CG2-CG2 3.73Å; T309-V327 WeakPolarHBondContact O-CA 3.39Å; T309-V327 PolarHBondContact O-N 2.92Å; T309-T328 PolarHBondContact O-N 3.15Å
310C98.7Very high98.7Very high0 Ų029 Ų290%013%0.133CC..EExtended strand (participates in β ladder)trans-126.8149.5-175-68.10000112.4S293 T294 E308 I312 M324 T328S293-C310 CarbonylContact C-O 3.54Å; S293-C310 WeakPolarHBondContact CA-O 3.4Å; S293-C310 VanDerWaalsContact CB-O 3.25Å; S293-C310 WeakPolarHBondContact CB-O 3.33Å; S293-C310 PolarHBondContact OG-N 2.93Å; T294-C310 PolarHBondContact N-O 2.89Å; E308-C310 PolarHBondContact O-N 3.27Å; E308-C310 PolarHBondContact O-SG 3.42Å; C310-I312 HydrophobicContact CB-CD1 4.22Å; C310-M324 VanDerWaalsContact SG-C 3.56Å; C310-M324 WeakPolarHBondContact SG-CB 3.26Å; C310-M324 PolarHBondContact SG-O 3.49Å; C310-M324 VanDerWaalsContact SG-O 3.42Å; C310-T328 CarbonylContact C-O 3.49Å; C310-T328 VanDerWaalsContact CA-O 3.3Å; C310-T328 WeakPolarHBondContact CA-O 3.44Å
311I98.8Very high98.7Very high0 Ų034.1 Ų34.10%015%0.15CC..EExtended strand (participates in β ladder)trans-118.9107.1164.7-51.7170.1000108.3L17 P225 F228 L229 T294 T328 V329 L330L17-I311 HydrophobicContact CD1-CG2 3.77Å; L17-I311 HydrophobicContact CD2-CG2 4.34Å; P225-I311 HydrophobicContact CB-CD1 3.92Å; F228-I311 HydrophobicContact CB-CD1 4.22Å; F228-I311 HydrophobicContact CD1-CD1 3.7Å; F228-I311 HydrophobicContact CD1-CG1 4.32Å; F228-I311 HydrophobicContact CE1-CD1 4.38Å; F228-I311 HydrophobicContact CG-CD1 4.14Å; L229-I311 HydrophobicContact CD1-CG1 4.24Å; L229-I311 HydrophobicContact CD2-CD1 4.35Å; L229-I311 HydrophobicContact CD2-CG1 3.66Å; L229-I311 HydrophobicContact CG-CD1 4.17Å; L229-I311 HydrophobicContact CG-CG1 3.89Å; T294-I311 WeakPolarHBondContact O-CA 3.35Å; I311-T328 PolarHBondContact N-O 3.4Å; I311-V329 HydrophobicContact CB-CG1 4.13Å; I311-V329 HydrophobicContact CB-CG2 4.32Å; I311-V329 HydrophobicContact CD1-CG2 4.35Å; I311-V329 VanDerWaalsContact O-CA 3.3Å; I311-V329 WeakPolarHBondContact O-CA 3.29Å; I311-L330 PolarHBondContact O-N 3Å
312I98.8Very high98.7Very high0 Ų034.1 Ų34.10%015%0.15CC..EExtended strand (participates in β ladder)trans-90115.1176.5-52.7-53.4000107.3T294 L295 L296 I301 L307 C310 C316 V318 M324 L330T294-I312 PolarHBondContact O-N 2.84Å; L295-I312 HydrophobicContact CD2-CB 3.55Å; L295-I312 HydrophobicContact CD2-CG1 3.29Å; L295-I312 HydrophobicContact CD2-CG2 4.33Å; L296-I312 WeakPolarHBondContact CB-O 3.49Å; L296-I312 PolarHBondContact N-O 2.7Å; I301-I312 HydrophobicContact CD1-CG1 4.39Å; I301-I312 HydrophobicContact CD1-CG2 4.4Å; L307-I312 HydrophobicContact CD2-CD1 3.97Å; L307-I312 HydrophobicContact CD2-CG1 3.71Å; C310-I312 HydrophobicContact CB-CD1 4.22Å; I312-C316 HydrophobicContact CG2-CB 3.64Å; I312-V318 HydrophobicContact CD1-CG2 4.36Å; I312-M324 HydrophobicContact CD1-CE 3.64Å; I312-M324 HydrophobicContact CD1-SD 3.89Å; I312-L330 HydrophobicContact CD1-CD1 3.84Å; I312-L330 HydrophobicContact CD1-CG 3.92Å; I312-L330 HydrophobicContact CG2-CD1 4.3Å
313G98.5Very high98.7Very high0 Ų035.6 Ų35.60%016%0.155CC..  trans-61.7-170.6177.700000113.6S299 L330 G331S299-G313 PolarHBondContact OG-O 2.83Å; G313-L330 VanDerWaalsContact CA-O 3.23Å; G313-L330 WeakPolarHBondContact CA-O 3.3Å; G313-L330 PolarHBondContact N-O 2.88Å; G313-G331 WeakPolarHBondContact CA-O 3.04Å
314W98.4Very high98.7Very high2 Ų234.7 Ų34.71%0.00815%0.149CC..THydrogen-bonded Turntrans-75.3140.4-175.4-54.6-94.6000111.5L17 T20 Y21 V26 E27 L296 Q297 C316 E332 D333L17-W314 HydrophobicContact CB-CH2 3.95Å; L17-W314 HydrophobicContact CB-CZ3 4.02Å; L17-W314 HydrophobicContact CD2-CH2 4.22Å; L17-W314 HydrophobicContact CD2-CZ3 3.89Å; T20-W314 HydrophobicContact CG2-CE3 4.17Å; T20-W314 HydrophobicContact CG2-CZ3 4.33Å; Y21-W314 AromaticContact CD2-CD2 3.74Å; Y21-W314 HydrophobicContact CD2-CD2 3.74Å; Y21-W314 AromaticContact CD2-CE2 3.48Å; Y21-W314 VanDerWaalsContact CD2-CE2 3.48Å; Y21-W314 AromaticContact CD2-CE3 3.88Å; Y21-W314 HydrophobicContact CD2-CE3 3.88Å; Y21-W314 AromaticContact CD2-CH2 3.63Å; Y21-W314 HydrophobicContact CD2-CH2 3.63Å; Y21-W314 AromaticContact CD2-CZ2 3.45Å; Y21-W314 HydrophobicContact CD2-CZ2 3.45Å; Y21-W314 VanDerWaalsContact CD2-CZ2 3.45Å; Y21-W314 AromaticContact CD2-CZ3 3.83Å; Y21-W314 HydrophobicContact CD2-CZ3 3.83Å; Y21-W314 AromaticContact CE2-CD2 3.7Å; Y21-W314 HydrophobicContact CE2-CD2 3.7Å; Y21-W314 AromaticContact CE2-CE2 3.69Å; Y21-W314 HydrophobicContact CE2-CE3 4.11Å; Y21-W314 HydrophobicContact CE2-CG 4.01Å; Y21-W314 HydrophobicContact CE2-CZ2 4.15Å; Y21-W314 AromaticContact CE2-NE1 3.91Å; Y21-W314 HydrophobicContact CG-CH2 4.44Å; Y21-W314 HydrophobicContact CG-CZ2 4.39Å; V26-W314 HydrophobicContact CB-CH2 4.49Å; V26-W314 HydrophobicContact CB-CZ2 4.45Å; V26-W314 HydrophobicContact CG1-CH2 4.08Å; V26-W314 HydrophobicContact CG1-CZ2 4.07Å; V26-W314 HydrophobicContact CG2-CH2 3.99Å; V26-W314 HydrophobicContact CG2-CZ2 4.34Å; E27-W314 PolarHBondContact OE1-NE1 2.83Å; E27-W314 WeakPolarHBondContact OE2-CZ2 3.09Å; E27-W314 PolarHBondContact OE2-NE1 2.83Å; L296-W314 HydrophobicContact CB-CD2 4.29Å; L296-W314 HydrophobicContact CB-CG 4.13Å; L296-W314 HydrophobicContact CD1-CD2 3.99Å; L296-W314 HydrophobicContact CD1-CE3 4.3Å; L296-W314 HydrophobicContact CD1-CH2 3.78Å; L296-W314 HydrophobicContact CD1-CZ2 3.43Å; L296-W314 VanDerWaalsContact CD1-CZ2 3.43Å; L296-W314 HydrophobicContact CD1-CZ3 4.21Å; Q297-W314 WeakPolarHBondContact O-CA 3.22Å; W314-C316 PolarHBondContact O-N 2.92Å; W314-C316 VanDerWaalsContact O-N 3.17Å; W314-E332 HydrophobicContact CB-CG 4.32Å; W314-E332 HydrophobicContact CE3-CB 4.37Å; W314-E332 CarbonylContact O-C 3.48Å; W314-E332 VanDerWaalsContact O-CA 3.31Å; W314-E332 WeakPolarHBondContact O-CA 3.29Å; W314-D333 PolarHBondContact O-N 2.94Å
315R98.6Very high98.7Very high87 Ų8732.2 Ų32.233%0.32814%0.138SC..THydrogen-bonded Turntrans58.624.8171.7-59.7175-80.2-76.118114.9Q297 S299 E332Q297-R315 PolarHBondContact O-N 2.8Å; S299-R315 PolarHBondContact OG-N 2.84Å; R315-E332 IonicContact CZ-OE1 2.85Å; R315-E332 IonicContact NE-OE1 2.83Å; R315-E332 PolarHBondContact NE-OE1 3.35Å; R315-E332 IonicContact NH2-OE1 2.76Å; R315-E332 PolarHBondContact NH2-OE1 2.66Å; R315-E332 IonicContact NH2-OE2 3.29Å
316C98.8Very high98.6Very high0 Ų036.5 Ų36.50%016%0.161CC..  trans-76.5153.9176.7-60.50000111.3S299 I300 I312 W314 L330 G331 V334S299-C316 CarbonylContact C-O 3.5Å; S299-C316 VanDerWaalsContact CA-O 3.23Å; S299-C316 WeakPolarHBondContact CA-O 3.39Å; S299-C316 PolarHBondContact OG-N 2.93Å; I300-C316 PolarHBondContact N-O 3.19Å; I312-C316 HydrophobicContact CG2-CB 3.64Å; W314-C316 PolarHBondContact O-N 2.92Å; W314-C316 VanDerWaalsContact O-N 3.17Å; C316-L330 HydrophobicContact CB-CD1 4.26Å; C316-G331 PolarHBondContact SG-O 2.79Å; C316-V334 CarbonylContact C-O 3.59Å; C316-V334 WeakPolarHBondContact CA-O 3.46Å; C316-V334 VanDerWaalsContact CB-O 3.3Å; C316-V334 WeakPolarHBondContact CB-O 3.19Å
317T98.8Very high98.5Very high36 Ų3634.6 Ų34.622%0.22116%0.156CC..EExtended strand (participates in β ladder)trans-118.7116.7166.5-62.60000108.6I300 R302 V334 I335 V336I300-T317 CarbonylContact O-C 3.56Å; I300-T317 WeakPolarHBondContact O-CA 3.38Å; R302-T317 HydrophobicContact CG-CG2 4.41Å; T317-V334 PolarHBondContact N-O 2.9Å; T317-I335 CarbonylContact O-C 3.44Å; T317-I335 WeakPolarHBondContact O-CA 3.38Å; T317-V336 PolarHBondContact O-N 2.85Å
318V98.8Very high98.5Very high0 Ų034.6 Ų34.60%016%0.156CC..EExtended strand (participates in β ladder)trans-98.5118.51711790000108.1I300 I301 R302 L307 I312 V322 M324 L330 V336I300-V318 PolarHBondContact O-N 2.48Å; I301-V318 HydrophobicContact CD1-CB 3.73Å; I301-V318 HydrophobicContact CD1-CG2 3.59Å; I301-V318 HydrophobicContact CG2-CB 4.44Å; R302-V318 VanDerWaalsContact CB-O 3.25Å; R302-V318 WeakPolarHBondContact CB-O 3.27Å; R302-V318 WeakPolarHBondContact CG-O 3.01Å; R302-V318 PolarHBondContact N-O 3.1Å; L307-V318 HydrophobicContact CD1-CG1 4.37Å; I312-V318 HydrophobicContact CD1-CG2 4.36Å; V318-V322 HydrophobicContact CG1-CB 3.72Å; V318-V322 HydrophobicContact CG1-CG1 3.68Å; V318-V322 HydrophobicContact CG1-CG2 4.13Å; V318-M324 HydrophobicContact CG1-SD 3.92Å; V318-M324 HydrophobicContact CG2-SD 3.88Å; V318-L330 HydrophobicContact CG2-CD1 4.1Å; V318-V336 HydrophobicContact CG1-CB 4.49Å; V318-V336 HydrophobicContact CG2-CG2 4.29Å
319G98.7Very high98.5Very high2 Ų231.8 Ų31.82%0.02114%0.144CC..  trans-61.1178-178.200000114.4S305 V322 V336 D338S305-G319 PolarHBondContact OG-O 3.24Å; G319-V322 WeakPolarHBondContact O-CG2 3.31Å; G319-V336 VanDerWaalsContact CA-O 3.32Å; G319-V336 WeakPolarHBondContact CA-O 3.41Å; G319-V336 PolarHBondContact N-O 2.99Å; G319-D338 WeakPolarHBondContact CA-OD1 3.33Å
320Q98.7Very high98.5Very high73 Ų7330 Ų3034%0.34113%0.133SC..THydrogen-bonded Turntrans-73.9148.7-179.4-62.8170.579.100110.9R302 S303 V322 D338 E339R302-Q320 HydrophobicContact CB-CG 3.74Å; S303-Q320 VanDerWaalsContact O-CA 3.3Å; S303-Q320 WeakPolarHBondContact O-CA 3.25Å; Q320-V322 PolarHBondContact O-N 3.26Å; Q320-D338 HydrophobicContact CB-CB 4.37Å; Q320-D338 PolarHBondContact N-OD1 3.04Å; Q320-D338 PolarHBondContact NE2-OD2 2.61Å; Q320-D338 CarbonylContact O-C 3.53Å; Q320-D338 VanDerWaalsContact O-CA 3.29Å; Q320-D338 WeakPolarHBondContact O-CA 3.32Å; Q320-E339 PolarHBondContact O-N 3.21Å
321W98.5Very high98.5Very high149 Ų14930 Ų3056%0.56413%0.133SC*.THydrogen-bonded Turntrans55.324.8177-53.3102.7000114.2S303 H304 S305 E339S303-W321 PolarHBondContact O-N 3.25Å; H304-W321 HydrophobicContact CB-CD2 3.62Å; H304-W321 HydrophobicContact CB-CE3 3.46Å; H304-W321 VanDerWaalsContact CB-CE3 3.46Å; H304-W321 HydrophobicContact CB-CG 4.42Å; H304-W321 HydrophobicContact CB-CH2 3.62Å; H304-W321 HydrophobicContact CB-CZ2 3.76Å; H304-W321 HydrophobicContact CB-CZ3 3.48Å; H304-W321 VanDerWaalsContact CB-CZ3 3.48Å; H304-W321 AromaticContact CD2-CE2 3.77Å; H304-W321 AromaticContact CD2-CH2 3.77Å; H304-W321 AromaticContact CD2-CZ2 3.34Å; H304-W321 WeakPolarHBondContact CD2-CZ2 3.37Å; H304-W321 AromaticContact CG-CE2 3.97Å; H304-W321 AromaticContact CG-CH2 3.51Å; H304-W321 AromaticContact CG-CZ2 3.55Å; H304-W321 AromaticContact CG-CZ3 3.91Å; S305-W321 PolarHBondContact OG-N 3.13Å; W321-E339 HydrophobicContact CB-CG 4.1Å
322V98.8Very high98.5Very high1 Ų131.5 Ų31.51%0.00614%0.139CC..  trans-82.6138.2177.7174.20000109.3S305 W306 V318 G319 Q320 M324 V336 S337 L340S305-V322 CarbonylContact C-O 3.55Å; S305-V322 VanDerWaalsContact CA-O 3.25Å; S305-V322 WeakPolarHBondContact CA-O 3.11Å; S305-V322 WeakPolarHBondContact CB-O 3.42Å; S305-V322 PolarHBondContact OG-N 3.41Å; W306-V322 PolarHBondContact N-O 2.67Å; V318-V322 HydrophobicContact CG1-CB 3.72Å; V318-V322 HydrophobicContact CG1-CG1 3.68Å; V318-V322 HydrophobicContact CG1-CG2 4.13Å; G319-V322 WeakPolarHBondContact O-CG2 3.31Å; Q320-V322 PolarHBondContact O-N 3.26Å; V322-M324 HydrophobicContact CG1-CG 3.66Å; V322-M324 HydrophobicContact CG1-SD 4.26Å; V322-V336 HydrophobicContact CG1-CG1 3.8Å; V322-V336 HydrophobicContact CG2-CG1 4.03Å; V322-S337 WeakPolarHBondContact CG2-O 3.08Å; V322-L340 CarbonylContact C-O 3.48Å; V322-L340 WeakPolarHBondContact CA-O 3.19Å; V322-L340 WeakPolarHBondContact CG1-O 3.47Å
323R98.7Very high98.4Very high128 Ų12834.7 Ų34.748%0.48316%0.157SC..EExtended strand (participates in β ladder)trans-115120.1171.7-178.2177.1-179.4-178.7-6.3110W306 E325 L340 F341 V342W306-R323 HydrophobicContact CB-CG 4.47Å; W306-R323 CarbonylContact O-C 3.57Å; W306-R323 WeakPolarHBondContact O-CA 3.22Å; R323-E325 HydrophobicContact CG-CG 4.28Å; R323-E325 IonicContact CZ-OE1 3.12Å; R323-E325 IonicContact CZ-OE2 3.76Å; R323-E325 VanDerWaalsContact NE-CD 3.29Å; R323-E325 IonicContact NE-OE1 2.7Å; R323-E325 PolarHBondContact NE-OE1 3.17Å; R323-E325 IonicContact NE-OE2 3.61Å; R323-E325 VanDerWaalsContact NH2-CD 3.35Å; R323-E325 IonicContact NH2-OE1 2.7Å; R323-E325 PolarHBondContact NH2-OE1 2.82Å; R323-E325 IonicContact NH2-OE2 3.23Å; R323-E325 PolarHBondContact NH2-OE2 2.92Å; R323-L340 PolarHBondContact N-O 2.81Å; R323-F341 HydrophobicContact CB-CD2 3.98Å; R323-F341 HydrophobicContact CG-CD2 3.86Å; R323-F341 HydrophobicContact CG-CE2 4.11Å; R323-F341 CarbonylContact O-C 3.6Å; R323-F341 WeakPolarHBondContact O-CA 3.45Å; R323-F341 WeakPolarHBondContact O-CD2 3.31Å; R323-V342 PolarHBondContact O-N 2.79Å
324M98.7Very high98.4Very high0 Ų034.7 Ų34.70%016%0.157CC..EExtended strand (participates in β ladder)trans-122.3131.1178.6-53.6-178.661.400111.4W306 L307 E308 C310 I312 V318 V322 T328 L330 V342W306-M324 PolarHBondContact O-N 3.02Å; L307-M324 HydrophobicContact CG-CB 4.34Å; L307-M324 HydrophobicContact CG-SD 4.3Å; E308-M324 PolarHBondContact N-O 2.86Å; C310-M324 VanDerWaalsContact SG-C 3.56Å; C310-M324 WeakPolarHBondContact SG-CB 3.26Å; C310-M324 PolarHBondContact SG-O 3.49Å; C310-M324 VanDerWaalsContact SG-O 3.42Å; I312-M324 HydrophobicContact CD1-CE 3.64Å; I312-M324 HydrophobicContact CD1-SD 3.89Å; V318-M324 HydrophobicContact CG1-SD 3.92Å; V318-M324 HydrophobicContact CG2-SD 3.88Å; V322-M324 HydrophobicContact CG1-CG 3.66Å; V322-M324 HydrophobicContact CG1-SD 4.26Å; M324-T328 HydrophobicContact CE-CG2 3.26Å; M324-L330 HydrophobicContact CE-CD1 3.88Å; M324-L330 HydrophobicContact CE-CD2 3.73Å; M324-L330 HydrophobicContact CE-CG 3.82Å; M324-V342 CarbonylContact C-O 3.58Å; M324-V342 VanDerWaalsContact CA-O 3.29Å; M324-V342 WeakPolarHBondContact CA-O 3.5Å; M324-V342 HydrophobicContact CE-CG1 4.47Å; M324-V342 HydrophobicContact CG-CB 4.1Å; M324-V342 HydrophobicContact CG-CG2 4.37Å
325E98.1Very high98.5Very high34 Ų3438.3 Ų38.316%0.15918%0.175CC..EExtended strand (participates in β ladder)trans-143.6174.5-172.5-63.1-171.2163.400113.8E308 R323 T328 F341 V342 G344E308-E325 HydrophobicContact CB-CG 4.47Å; E308-E325 VanDerWaalsContact O-CA 3.29Å; E308-E325 WeakPolarHBondContact O-CA 3.28Å; R323-E325 HydrophobicContact CG-CG 4.28Å; R323-E325 IonicContact CZ-OE1 3.12Å; R323-E325 IonicContact CZ-OE2 3.76Å; R323-E325 VanDerWaalsContact NE-CD 3.29Å; R323-E325 IonicContact NE-OE1 2.7Å; R323-E325 PolarHBondContact NE-OE1 3.17Å; R323-E325 IonicContact NE-OE2 3.61Å; R323-E325 VanDerWaalsContact NH2-CD 3.35Å; R323-E325 IonicContact NH2-OE1 2.7Å; R323-E325 PolarHBondContact NH2-OE1 2.82Å; R323-E325 IonicContact NH2-OE2 3.23Å; R323-E325 PolarHBondContact NH2-OE2 2.92Å; E325-T328 PolarHBondContact O-N 2.81Å; E325-T328 PolarHBondContact O-OG1 3.03Å; E325-F341 HydrophobicContact CG-CE2 4.44Å; E325-V342 PolarHBondContact N-O 2.83Å; E325-G344 PolarHBondContact O-N 2.88Å
326N96.7Very high98.5Very high90 Ų9034.3 Ų34.348%0.48116%0.16SC..SBendtrans59.350.4164.2-166.224000116.1N343 G344N326-N343 WeakPolarHBondContact CB-OD1 3.41Å; N326-N343 PolarHBondContact ND2-OD1 2.81Å; N326-G344 WeakPolarHBondContact O-CA 3.4Å
327V97.5Very high98.5Very high29 Ų2936.3 Ų36.318%0.17618%0.175CC..SBendtrans61.844.3-179.8-159.60000111.5P225 H226 L229 T309P225-V327 HydrophobicContact CB-CG1 3.61Å; H226-V327 HydrophobicContact CB-CG1 4.42Å; H226-V327 HydrophobicContact CB-CG2 4.46Å; L229-V327 HydrophobicContact CD1-CG1 4.48Å; T309-V327 HydrophobicContact CG2-CB 4.48Å; T309-V327 HydrophobicContact CG2-CG2 3.73Å; T309-V327 WeakPolarHBondContact O-CA 3.39Å; T309-V327 PolarHBondContact O-N 2.92Å
328T98.6Very high98.4Very high0 Ų038.2 Ų38.20%018%0.183CC..EExtended strand (participates in β ladder)trans-71.6132.5172-68.60000110.2T309 C310 I311 M324 E325 L330 V342 G344 A345T309-T328 PolarHBondContact O-N 3.15Å; C310-T328 CarbonylContact C-O 3.49Å; C310-T328 VanDerWaalsContact CA-O 3.3Å; C310-T328 WeakPolarHBondContact CA-O 3.44Å; I311-T328 PolarHBondContact N-O 3.4Å; M324-T328 HydrophobicContact CE-CG2 3.26Å; E325-T328 PolarHBondContact O-N 2.81Å; E325-T328 PolarHBondContact O-OG1 3.03Å; T328-L330 HydrophobicContact CG2-CD2 4.18Å; T328-V342 HydrophobicContact CG2-CG1 3.7Å; T328-V342 PolarHBondContact OG1-O 2.94Å; T328-G344 WeakPolarHBondContact OG1-CA 3.26Å; T328-G344 PolarHBondContact OG1-N 2.92Å; T328-A345 CarbonylContact C-O 3.55Å; T328-A345 VanDerWaalsContact CA-O 3.31Å; T328-A345 WeakPolarHBondContact CA-O 3.25Å; T328-A345 HydrophobicContact CG2-CB 4.24Å; T328-A345 WeakPolarHBondContact CG2-O 3.39Å; T328-A345 PolarHBondContact OG1-N 3.49Å
329V98.7Very high98.4Very high0 Ų045.4 Ų45.40%022%0.217CC..EExtended strand (participates in β ladder)trans-127122.5179.8-1710000110.3P16 L17 P225 I311 A345 R346 V347P16-V329 HydrophobicContact CG-CB 4.3Å; P16-V329 HydrophobicContact CG-CG1 3.82Å; L17-V329 HydrophobicContact CD1-CG1 4.37Å; L17-V329 HydrophobicContact CD2-CG1 4.11Å; L17-V329 HydrophobicContact CG-CG1 3.95Å; P225-V329 HydrophobicContact CB-CG2 3.66Å; P225-V329 HydrophobicContact CG-CG2 3.83Å; I311-V329 HydrophobicContact CB-CG1 4.13Å; I311-V329 HydrophobicContact CB-CG2 4.32Å; I311-V329 HydrophobicContact CD1-CG2 4.35Å; I311-V329 VanDerWaalsContact O-CA 3.3Å; I311-V329 WeakPolarHBondContact O-CA 3.29Å; V329-A345 PolarHBondContact N-O 2.83Å; V329-R346 WeakPolarHBondContact O-CA 3.12Å; V329-V347 PolarHBondContact O-N 3.24Å
330L98.7Very high98.4Very high0 Ų046.1 Ų46.10%022%0.22CC..EExtended strand (participates in β ladder)trans-97.4136.7171.5-52.2-169.3000109.7L17 I311 I312 G313 C316 V318 M324 T328 V334 V336 V347L17-L330 WeakPolarHBondContact CD2-O 3.3Å; I311-L330 PolarHBondContact O-N 3Å; I312-L330 HydrophobicContact CD1-CD1 3.84Å; I312-L330 HydrophobicContact CD1-CG 3.92Å; I312-L330 HydrophobicContact CG2-CD1 4.3Å; G313-L330 VanDerWaalsContact CA-O 3.23Å; G313-L330 WeakPolarHBondContact CA-O 3.3Å; G313-L330 PolarHBondContact N-O 2.88Å; C316-L330 HydrophobicContact CB-CD1 4.26Å; V318-L330 HydrophobicContact CG2-CD1 4.1Å; M324-L330 HydrophobicContact CE-CD1 3.88Å; M324-L330 HydrophobicContact CE-CD2 3.73Å; M324-L330 HydrophobicContact CE-CG 3.82Å; T328-L330 HydrophobicContact CG2-CD2 4.18Å; L330-V334 HydrophobicContact CB-CB 4.1Å; L330-V334 HydrophobicContact CB-CG1 4.39Å; L330-V334 HydrophobicContact CB-CG2 4.21Å; L330-V334 HydrophobicContact CD1-CB 4.29Å; L330-V334 HydrophobicContact CD1-CG1 4.09Å; L330-V334 HydrophobicContact CD2-CG1 4.16Å; L330-V334 HydrophobicContact CG-CG1 4.45Å; L330-V336 HydrophobicContact CD1-CG2 3.76Å; L330-V347 HydrophobicContact CD2-CB 3.83Å; L330-V347 HydrophobicContact CD2-CG2 3.58Å
331G98.2Very high98.4Very high0 Ų045.5 Ų45.50%022%0.217CC..  trans-68.2-164.416800000112G313 C316 V347G313-G331 WeakPolarHBondContact CA-O 3.04Å; C316-G331 PolarHBondContact SG-O 2.79Å; G331-V347 PolarHBondContact N-O 3.01Å
332E98.1Very high98.4Very high30 Ų3038.4 Ų38.414%0.1419%0.19CC..THydrogen-bonded Turntrans-71.8143.1171.8177.8-167174.600111.6T20 W314 R315 V334 P349 H350T20-E332 HydrophobicContact CG2-CB 4Å; T20-E332 HydrophobicContact CG2-CG 4.38Å; T20-E332 WeakPolarHBondContact CG2-OE2 3.46Å; T20-E332 VanDerWaalsContact OG1-CB 3.23Å; T20-E332 WeakPolarHBondContact OG1-CB 3.43Å; T20-E332 PolarHBondContact OG1-OE2 3.27Å; W314-E332 HydrophobicContact CB-CG 4.32Å; W314-E332 HydrophobicContact CE3-CB 4.37Å; W314-E332 CarbonylContact O-C 3.48Å; W314-E332 VanDerWaalsContact O-CA 3.31Å; W314-E332 WeakPolarHBondContact O-CA 3.29Å; R315-E332 IonicContact CZ-OE1 2.85Å; R315-E332 IonicContact NE-OE1 2.83Å; R315-E332 PolarHBondContact NE-OE1 3.35Å; R315-E332 IonicContact NH2-OE1 2.76Å; R315-E332 PolarHBondContact NH2-OE1 2.66Å; R315-E332 IonicContact NH2-OE2 3.29Å; E332-V334 VanDerWaalsContact C-N 3.29Å; E332-V334 PolarHBondContact O-N 3.17Å; E332-P349 HydrophobicContact CB-CB 4.23Å; E332-P349 CarbonylContact O-C 3.59Å; E332-P349 WeakPolarHBondContact O-CA 3.35Å; E332-H350 PolarHBondContact O-N 2.8Å; E332-H350 IonicContact OE1-CE1 3.92Å
333D98.4Very high98.3Very high68 Ų6840 Ų4036%0.36420%0.198SC..THydrogen-bonded Turntrans56.844.6166.2-174.745.3000112W314 H350W314-D333 PolarHBondContact O-N 2.94Å; D333-H350 WeakPolarHBondContact O-CA 3.44Å; D333-H350 IonicContact OD2-CE1 3.79Å; D333-H350 IonicContact OD2-CG 3.98Å; D333-H350 IonicContact OD2-ND1 2.93Å; D333-H350 PolarHBondContact OD2-ND1 2.88Å
334V98.7Very high98.3Very high0 Ų034.4 Ų34.40%018%0.18CC..  trans-93133.3174.41770000109.8C316 T317 L330 E332 V336 V347 L348 K351C316-V334 CarbonylContact C-O 3.59Å; C316-V334 WeakPolarHBondContact CA-O 3.46Å; C316-V334 VanDerWaalsContact CB-O 3.3Å; C316-V334 WeakPolarHBondContact CB-O 3.19Å; T317-V334 PolarHBondContact N-O 2.9Å; L330-V334 HydrophobicContact CB-CB 4.1Å; L330-V334 HydrophobicContact CB-CG1 4.39Å; L330-V334 HydrophobicContact CB-CG2 4.21Å; L330-V334 HydrophobicContact CD1-CB 4.29Å; L330-V334 HydrophobicContact CD1-CG1 4.09Å; L330-V334 HydrophobicContact CD2-CG1 4.16Å; L330-V334 HydrophobicContact CG-CG1 4.45Å; E332-V334 VanDerWaalsContact C-N 3.29Å; E332-V334 PolarHBondContact O-N 3.17Å; V334-V336 HydrophobicContact CG1-CG2 4.37Å; V334-V347 HydrophobicContact CB-CG1 4.45Å; V334-V347 HydrophobicContact CG1-CB 4.13Å; V334-V347 HydrophobicContact CG1-CG1 3.57Å; V334-V347 HydrophobicContact CG2-CB 4.37Å; V334-V347 HydrophobicContact CG2-CG1 3.96Å; V334-L348 WeakPolarHBondContact CG2-O 3.25Å; V334-K351 CarbonylContact C-O 3.45Å; V334-K351 VanDerWaalsContact CA-O 3.27Å; V334-K351 WeakPolarHBondContact CA-O 3.45Å
335I98.7Very high98.2Very high78 Ų7834.4 Ų34.440%0.418%0.18SC..EExtended strand (participates in β ladder)trans-106.9121.6174.1-57.3173.7000108.7T317 K351 S352 I353T317-I335 CarbonylContact O-C 3.44Å; T317-I335 WeakPolarHBondContact O-CA 3.38Å; I335-K351 PolarHBondContact N-O 3.26Å; I335-S352 CarbonylContact O-C 3.59Å; I335-S352 VanDerWaalsContact O-CA 3.25Å; I335-S352 WeakPolarHBondContact O-CA 3.29Å; I335-I353 PolarHBondContact O-N 2.94Å
336V98.7Very high98.2Very high2 Ų237.4 Ų37.41%0.01219%0.19CC..EExtended strand (participates in β ladder)trans-104.7117.6170.5-1750000107.1T317 V318 G319 V322 L330 V334 L340 V342 I353T317-V336 PolarHBondContact O-N 2.85Å; V318-V336 HydrophobicContact CG1-CB 4.49Å; V318-V336 HydrophobicContact CG2-CG2 4.29Å; G319-V336 VanDerWaalsContact CA-O 3.32Å; G319-V336 WeakPolarHBondContact CA-O 3.41Å; G319-V336 PolarHBondContact N-O 2.99Å; V322-V336 HydrophobicContact CG1-CG1 3.8Å; V322-V336 HydrophobicContact CG2-CG1 4.03Å; L330-V336 HydrophobicContact CD1-CG2 3.76Å; V334-V336 HydrophobicContact CG1-CG2 4.37Å; V336-L340 HydrophobicContact CG1-CB 4.23Å; V336-L340 HydrophobicContact CG1-CD1 4.05Å; V336-V342 HydrophobicContact CG1-CG2 4.14Å; V336-I353 HydrophobicContact CB-CD1 4.11Å; V336-I353 HydrophobicContact CB-CG1 3.91Å; V336-I353 HydrophobicContact CG1-CD1 3.71Å; V336-I353 HydrophobicContact CG1-CG1 3.78Å; V336-I353 HydrophobicContact CG2-CD1 3.69Å; V336-I353 HydrophobicContact CG2-CG1 3.81Å
337S98.6Very high98.3Very high43 Ų4333.1 Ų33.130%0.30117%0.167SC..  trans-63.3163.9176.8-63.60000111.8V322 L340 I353V322-S337 WeakPolarHBondContact CG2-O 3.08Å; S337-L340 WeakPolarHBondContact O-CG 3.3Å; S337-I353 WeakPolarHBondContact CB-O 3.34Å; S337-I353 PolarHBondContact N-O 3.2Å; S337-I353 PolarHBondContact OG-O 3.38Å
338D98.7Very high98.3Very high75 Ų7533.6 Ų33.640%0.40117%0.168SC..THydrogen-bonded Turntrans-60.3153.6177.8-63.4-2.8000111.7G319 Q320 L340G319-D338 WeakPolarHBondContact CA-OD1 3.33Å; Q320-D338 HydrophobicContact CB-CB 4.37Å; Q320-D338 PolarHBondContact N-OD1 3.04Å; Q320-D338 PolarHBondContact NE2-OD2 2.61Å; Q320-D338 CarbonylContact O-C 3.53Å; Q320-D338 VanDerWaalsContact O-CA 3.29Å; Q320-D338 WeakPolarHBondContact O-CA 3.32Å; D338-L340 VanDerWaalsContact C-N 3.27Å; D338-L340 PolarHBondContact O-N 2.96Å
339E98.4Very high98.3Very high151 Ų15134.5 Ų34.571%0.70617%0.174SC*.THydrogen-bonded Turntrans62.524.3171.2-56.6178.8178.900115.6Q320 W321Q320-E339 PolarHBondContact O-N 3.21Å; W321-E339 HydrophobicContact CB-CG 4.1Å
340L98.3Very high98.3Very high17 Ų1739.7 Ų39.79%0.08920%0.198CC..  trans-93.7145.2179.1-59.7-170.7000113.4V322 R323 V336 S337 D338 V342 I353V322-L340 CarbonylContact C-O 3.48Å; V322-L340 WeakPolarHBondContact CA-O 3.19Å; V322-L340 WeakPolarHBondContact CG1-O 3.47Å; R323-L340 PolarHBondContact N-O 2.81Å; V336-L340 HydrophobicContact CG1-CB 4.23Å; V336-L340 HydrophobicContact CG1-CD1 4.05Å; S337-L340 WeakPolarHBondContact O-CG 3.3Å; D338-L340 VanDerWaalsContact C-N 3.27Å; D338-L340 PolarHBondContact O-N 2.96Å; L340-V342 HydrophobicContact CB-CG2 4.42Å; L340-I353 HydrophobicContact CD1-CG1 4.21Å; L340-I353 WeakPolarHBondContact CD1-O 3.13Å
341F98.5Very high98.2Very high61 Ų6143.1 Ų43.127%0.26821%0.213SC..EExtended strand (participates in β ladder)trans-102.3126.2164177.2-125.5000109.8R323 E325 N343 S356 V357 V358R323-F341 HydrophobicContact CB-CD2 3.98Å; R323-F341 HydrophobicContact CG-CD2 3.86Å; R323-F341 HydrophobicContact CG-CE2 4.11Å; R323-F341 CarbonylContact O-C 3.6Å; R323-F341 WeakPolarHBondContact O-CA 3.45Å; R323-F341 WeakPolarHBondContact O-CD2 3.31Å; E325-F341 HydrophobicContact CG-CE2 4.44Å; F341-N343 HydrophobicContact CE1-CB 3.77Å; F341-N343 HydrophobicContact CE2-CB 4.35Å; F341-N343 HydrophobicContact CZ-CB 3.67Å; F341-S356 PolarHBondContact N-OG 3.23Å; F341-S356 CarbonylContact O-C 3.44Å; F341-S356 WeakPolarHBondContact O-CA 3.39Å; F341-S356 VanDerWaalsContact O-CB 3.27Å; F341-S356 WeakPolarHBondContact O-CB 3.32Å; F341-V357 PolarHBondContact O-N 2.7Å; F341-V358 HydrophobicContact CD1-CG1 4.28Å
342V98.3Very high98.2Very high0 Ų046.9 Ų46.90%024%0.24CC..EExtended strand (participates in β ladder)trans-127.2109-177.5-170.80000109.6R323 M324 E325 T328 V336 L340 A345 I353 V357R323-V342 PolarHBondContact O-N 2.79Å; M324-V342 CarbonylContact C-O 3.58Å; M324-V342 VanDerWaalsContact CA-O 3.29Å; M324-V342 WeakPolarHBondContact CA-O 3.5Å; M324-V342 HydrophobicContact CE-CG1 4.47Å; M324-V342 HydrophobicContact CG-CB 4.1Å; M324-V342 HydrophobicContact CG-CG2 4.37Å; E325-V342 PolarHBondContact N-O 2.83Å; T328-V342 HydrophobicContact CG2-CG1 3.7Å; T328-V342 PolarHBondContact OG1-O 2.94Å; V336-V342 HydrophobicContact CG1-CG2 4.14Å; L340-V342 HydrophobicContact CB-CG2 4.42Å; V342-A345 HydrophobicContact CG1-CB 3.43Å; V342-A345 VanDerWaalsContact CG1-CB 3.43Å; V342-I353 HydrophobicContact CG1-CD1 4.35Å; V342-I353 HydrophobicContact CG2-CD1 3.73Å; V342-V357 HydrophobicContact CG1-CB 4.27Å
343N98Very high98Very high34 Ų3445.9 Ų45.918%0.18224%0.235CC..EExtended strand (participates in β ladder)trans-115.1105.9-171.7-178.118.3000111.3N326 F341 A345 V357 V358 E359 P360N326-N343 WeakPolarHBondContact CB-OD1 3.41Å; N326-N343 PolarHBondContact ND2-OD1 2.81Å; F341-N343 HydrophobicContact CE1-CB 3.77Å; F341-N343 HydrophobicContact CE2-CB 4.35Å; F341-N343 HydrophobicContact CZ-CB 3.67Å; N343-A345 PolarHBondContact O-N 2.93Å; N343-V357 WeakPolarHBondContact CB-O 3.33Å; N343-V357 PolarHBondContact N-O 2.88Å; N343-V358 PolarHBondContact ND2-O 2.7Å; N343-E359 CarbonylContact O-C 3.56Å; N343-P360 WeakPolarHBondContact O-CA 3.29Å
344G97.6Very high98Very high10 Ų1046.1 Ų46.110%0.10325%0.246CC..SBendtrans60.427.6178.100000115.2E325 N326 T328 P360E325-G344 PolarHBondContact O-N 2.88Å; N326-G344 WeakPolarHBondContact O-CA 3.4Å; T328-G344 WeakPolarHBondContact OG1-CA 3.26Å; T328-G344 PolarHBondContact OG1-N 2.92Å; G344-P360 WeakPolarHBondContact O-CA 3.37Å
345A97.7Very high97.9Very high0 Ų053.7 Ų53.70%028%0.282CS..  trans-76.5146.8-178.800000111.8T328 V329 V342 N343 V347 V357 Q361T328-A345 CarbonylContact C-O 3.55Å; T328-A345 VanDerWaalsContact CA-O 3.31Å; T328-A345 WeakPolarHBondContact CA-O 3.25Å; T328-A345 HydrophobicContact CG2-CB 4.24Å; T328-A345 WeakPolarHBondContact CG2-O 3.39Å; T328-A345 PolarHBondContact OG1-N 3.49Å; V329-A345 PolarHBondContact N-O 2.83Å; V342-A345 HydrophobicContact CG1-CB 3.43Å; V342-A345 VanDerWaalsContact CG1-CB 3.43Å; N343-A345 PolarHBondContact O-N 2.93Å; A345-V347 HydrophobicContact CB-CG2 4.19Å; A345-V357 HydrophobicContact CB-CB 4.23Å; A345-V357 HydrophobicContact CB-CG1 3.73Å; A345-Q361 CarbonylContact C-O 3.52Å; A345-Q361 WeakPolarHBondContact CA-O 3.5Å
346R98.1Very high97.8Very high98 Ų9852.7 Ų52.737%0.3728%0.281SS..EExtended strand (participates in β ladder)trans-115.3100.6166.3-66.9-176.1-173.2-176.22.3108.6V329 Q361 I362 I363V329-R346 WeakPolarHBondContact O-CA 3.12Å; R346-Q361 PolarHBondContact N-O 2.82Å; R346-I362 HydrophobicContact CB-CG1 4.22Å; R346-I362 CarbonylContact O-C 3.55Å; R346-I362 VanDerWaalsContact O-CA 3.31Å; R346-I362 WeakPolarHBondContact O-CA 3.47Å; R346-I363 PolarHBondContact O-N 2.93Å
347V98.3Very high97.8Very high0 Ų052.8 Ų52.80%028%0.282CS..EExtended strand (participates in β ladder)trans-95.8121.4-174.7-171.80000109.4P16 V329 L330 G331 V334 A345 K351 I353 I363P16-V347 WeakPolarHBondContact CB-O 3.21Å; P16-V347 VanDerWaalsContact CG-O 3.26Å; P16-V347 WeakPolarHBondContact CG-O 3.44Å; V329-V347 PolarHBondContact O-N 3.24Å; L330-V347 HydrophobicContact CD2-CB 3.83Å; L330-V347 HydrophobicContact CD2-CG2 3.58Å; G331-V347 PolarHBondContact N-O 3.01Å; V334-V347 HydrophobicContact CB-CG1 4.45Å; V334-V347 HydrophobicContact CG1-CB 4.13Å; V334-V347 HydrophobicContact CG1-CG1 3.57Å; V334-V347 HydrophobicContact CG2-CB 4.37Å; V334-V347 HydrophobicContact CG2-CG1 3.96Å; A345-V347 HydrophobicContact CB-CG2 4.19Å; V347-K351 HydrophobicContact CG1-CB 3.77Å; V347-K351 HydrophobicContact CG1-CG 4.37Å; V347-I353 HydrophobicContact CG1-CG2 4.13Å; V347-I353 HydrophobicContact CG2-CD1 4.4Å; V347-I353 HydrophobicContact CG2-CG2 4.4Å; V347-I363 HydrophobicContact CB-CB 4.41Å; V347-I363 HydrophobicContact CG1-CB 4.17Å; V347-I363 HydrophobicContact CG1-CG2 4.32Å; V347-I363 HydrophobicContact CG2-CB 4.16Å; V347-I363 HydrophobicContact CG2-CG1 4.18Å
348L98.1Very high97.6Very high38 Ų3855.1 Ų55.120%0.19929%0.294CS..PPolyproline II helixtrans-66.3161-179.8-59.9-160.8000111.6P16 L19 V334 K351 I362 I363 M364P16-L348 HydrophobicContact CB-CD2 4Å; L19-L348 HydrophobicContact CD1-CD1 4.3Å; L19-L348 HydrophobicContact CD1-CD2 3.62Å; L19-L348 HydrophobicContact CD1-CG 4.37Å; V334-L348 WeakPolarHBondContact CG2-O 3.25Å; L348-K351 HydrophobicContact CB-CG 4.4Å; L348-K351 WeakPolarHBondContact O-CG 3.06Å; L348-I362 HydrophobicContact CD2-CG2 3.95Å; L348-I362 HydrophobicContact CG-CG2 4.29Å; L348-I363 WeakPolarHBondContact CG-O 3.2Å; L348-I363 PolarHBondContact N-O 2.77Å; L348-M364 HydrophobicContact CD1-CB 4.2Å; L348-M364 HydrophobicContact CD1-CG 4.08Å
349P97.9Very high97.5Very high19 Ų1958.3 Ų58.312%0.12331%0.307CS..SBendtrans-58.4151.2179.3-25.635.5000114.2L19 E332L19-P349 HydrophobicContact CB-CG 4Å; E332-P349 HydrophobicContact CB-CB 4.23Å; E332-P349 CarbonylContact O-C 3.59Å; E332-P349 WeakPolarHBondContact O-CA 3.35Å
350H97.9Very high97.4Very high110 Ų11055.2 Ų55.251%0.50930%0.3SS..SBendtrans59.644.1176-47.5-66.2000113.6E332 D333E332-H350 PolarHBondContact O-N 2.8Å; E332-H350 IonicContact OE1-CE1 3.92Å; D333-H350 WeakPolarHBondContact O-CA 3.44Å; D333-H350 IonicContact OD2-CE1 3.79Å; D333-H350 IonicContact OD2-CG 3.98Å; D333-H350 IonicContact OD2-ND1 2.93Å; D333-H350 PolarHBondContact OD2-ND1 2.88Å
351K97.5Very high97.3Very high72 Ų7259.1 Ų59.131%0.31332%0.317SS..  trans-119150.3-179.2-62.9-67.5158.4158.10111.4V334 I335 V347 L348 M364V334-K351 CarbonylContact C-O 3.45Å; V334-K351 VanDerWaalsContact CA-O 3.27Å; V334-K351 WeakPolarHBondContact CA-O 3.45Å; I335-K351 PolarHBondContact N-O 3.26Å; V347-K351 HydrophobicContact CG1-CB 3.77Å; V347-K351 HydrophobicContact CG1-CG 4.37Å; L348-K351 HydrophobicContact CB-CG 4.4Å; L348-K351 WeakPolarHBondContact O-CG 3.06Å; K351-M364 WeakPolarHBondContact CD-O 3.34Å; K351-M364 VanDerWaalsContact CE-C 3.41Å; K351-M364 WeakPolarHBondContact CE-O 3.27Å; K351-M364 WeakPolarHBondContact CE-OXT 3.21Å; K351-M364 PolarHBondContact NZ-O 3.23Å; K351-M364 PolarHBondContact NZ-OXT 3.02Å
352S96.9Very high97.2Very high79 Ų7960.9 Ų60.955%0.55233%0.329SS*.EExtended strand (participates in β ladder)trans-115.6127.6168.5-165.90000108.7I335I335-S352 CarbonylContact O-C 3.59Å; I335-S352 VanDerWaalsContact O-CA 3.25Å; I335-S352 WeakPolarHBondContact O-CA 3.29Å
353I95.7Very high97Very high9 Ų962.7 Ų62.75%0.04634%0.338CS..EExtended strand (participates in β ladder)trans-105.6121.9171.460.8174.9000109.3I335 V336 S337 L340 V342 V347 I363I335-I353 PolarHBondContact O-N 2.94Å; V336-I353 HydrophobicContact CB-CD1 4.11Å; V336-I353 HydrophobicContact CB-CG1 3.91Å; V336-I353 HydrophobicContact CG1-CD1 3.71Å; V336-I353 HydrophobicContact CG1-CG1 3.78Å; V336-I353 HydrophobicContact CG2-CD1 3.69Å; V336-I353 HydrophobicContact CG2-CG1 3.81Å; S337-I353 WeakPolarHBondContact CB-O 3.34Å; S337-I353 PolarHBondContact N-O 3.2Å; S337-I353 PolarHBondContact OG-O 3.38Å; L340-I353 HydrophobicContact CD1-CG1 4.21Å; L340-I353 WeakPolarHBondContact CD1-O 3.13Å; V342-I353 HydrophobicContact CG1-CD1 4.35Å; V342-I353 HydrophobicContact CG2-CD1 3.73Å; V347-I353 HydrophobicContact CG1-CG2 4.13Å; V347-I353 HydrophobicContact CG2-CD1 4.4Å; V347-I353 HydrophobicContact CG2-CG2 4.4Å; I353-I363 HydrophobicContact CG2-CG2 3.89Å
354A96.6Very high96.6Very high72 Ų7268.8 Ų68.860%0.59537%0.367SS*.  trans-115.95.1-179.100000112.6
355Q96.8Very high96.6Very high160 Ų16071.7 Ų71.775%0.74838%0.38SS*.SBendtrans-135146.2177.8-65.5-177.9-0.200109.2
356S97.7Very high96.5Very high56 Ų5675.5 Ų75.539%0.39240%0.4SS..  trans-62.7140.9177.3-66.70000111F341F341-S356 PolarHBondContact N-OG 3.23Å; F341-S356 CarbonylContact O-C 3.44Å; F341-S356 WeakPolarHBondContact O-CA 3.39Å; F341-S356 VanDerWaalsContact O-CB 3.27Å; F341-S356 WeakPolarHBondContact O-CB 3.32Å
357V97.4Very high96.4Very high5 Ų574.2 Ų74.23%0.0340%0.402CS..BIsolated β-bridgetrans-107.893.5175.1175.50000107.3F341 V342 N343 A345 E359 Q361 I363F341-V357 PolarHBondContact O-N 2.7Å; V342-V357 HydrophobicContact CG1-CB 4.27Å; N343-V357 WeakPolarHBondContact CB-O 3.33Å; N343-V357 PolarHBondContact N-O 2.88Å; A345-V357 HydrophobicContact CB-CB 4.23Å; A345-V357 HydrophobicContact CB-CG1 3.73Å; V357-E359 VanDerWaalsContact CG1-O 3.22Å; V357-E359 WeakPolarHBondContact CG1-O 3.22Å; V357-Q361 HydrophobicContact CG1-CG 3.62Å; V357-I363 HydrophobicContact CG2-CD1 3.93Å; V357-I363 HydrophobicContact CG2-CG1 4.14Å
358V96.3Very high96.3Very high91 Ų9178.6 Ų78.655%0.55243%0.426SS*.  trans-80.3-24.2-173-64.80000113.6F341 N343F341-V358 HydrophobicContact CD1-CG1 4.28Å; N343-V358 PolarHBondContact ND2-O 2.7Å
359E95.8Very high96.2Very high143 Ų14381.1 Ų81.167%0.66844%0.44SS*.SBendtrans-120.4146.8178.4-71.2-178.6-177.200110.9N343 V357 Q361N343-E359 CarbonylContact O-C 3.56Å; V357-E359 VanDerWaalsContact CG1-O 3.22Å; V357-E359 WeakPolarHBondContact CG1-O 3.22Å; E359-Q361 PolarHBondContact O-N 2.87Å
360P96.2Very high96.1Very high85 Ų8585.3 Ų85.355%0.55246%0.461SS*.  trans-57.5119177.8-2635.2000112.4N343 G344N343-P360 WeakPolarHBondContact O-CA 3.29Å; G344-P360 WeakPolarHBondContact O-CA 3.37Å
361Q95.7Very high95.9Very high99 Ų9983.5 Ų83.546%0.46346%0.458SS..  trans-151.3163.8177.760.9178.8-39.700112A345 R346 V357 E359 I363A345-Q361 CarbonylContact C-O 3.52Å; A345-Q361 WeakPolarHBondContact CA-O 3.5Å; R346-Q361 PolarHBondContact N-O 2.82Å; V357-Q361 HydrophobicContact CG1-CG 3.62Å; E359-Q361 PolarHBondContact O-N 2.87Å; Q361-I363 HydrophobicContact CG-CD1 3.71Å; Q361-I363 HydrophobicContact CG-CG1 4.47Å
362I96.2Very high95.8Very high99 Ų9984.4 Ų84.451%0.50847%0.469SS..EExtended strand (participates in β ladder)trans-92.4120.7171.7-56.2177.3000108.1R346 L348 M364R346-I362 HydrophobicContact CB-CG1 4.22Å; R346-I362 CarbonylContact O-C 3.55Å; R346-I362 VanDerWaalsContact O-CA 3.31Å; R346-I362 WeakPolarHBondContact O-CA 3.47Å; L348-I362 HydrophobicContact CD2-CG2 3.95Å; L348-I362 HydrophobicContact CG-CG2 4.29Å; I362-M364 HydrophobicContact CG2-CG 4.03Å
363I94.3Very high95.7Very high37 Ų3784.8 Ų84.819%0.1946%0.462CS..EExtended strand (participates in β ladder)trans-95.6110.2175-54.4-60.1000108R346 V347 L348 I353 V357 Q361R346-I363 PolarHBondContact O-N 2.93Å; V347-I363 HydrophobicContact CB-CB 4.41Å; V347-I363 HydrophobicContact CG1-CB 4.17Å; V347-I363 HydrophobicContact CG1-CG2 4.32Å; V347-I363 HydrophobicContact CG2-CB 4.16Å; V347-I363 HydrophobicContact CG2-CG1 4.18Å; L348-I363 WeakPolarHBondContact CG-O 3.2Å; L348-I363 PolarHBondContact N-O 2.77Å; I353-I363 HydrophobicContact CG2-CG2 3.89Å; V357-I363 HydrophobicContact CG2-CD1 3.93Å; V357-I363 HydrophobicContact CG2-CG1 4.14Å; Q361-I363 HydrophobicContact CG-CD1 3.71Å; Q361-I363 HydrophobicContact CG-CG1 4.47Å
364M90.1Very high95.7Very high162 Ų16291.7 Ų91.780%0.79850%0.499SS*.  trans-89.30-166.9-71-172.2-69.200116L348 K351 I362L348-M364 HydrophobicContact CD1-CB 4.2Å; L348-M364 HydrophobicContact CD1-CG 4.08Å; K351-M364 WeakPolarHBondContact CD-O 3.34Å; K351-M364 VanDerWaalsContact CE-C 3.41Å; K351-M364 WeakPolarHBondContact CE-O 3.27Å; K351-M364 WeakPolarHBondContact CE-OXT 3.21Å; K351-M364 PolarHBondContact NZ-O 3.23Å; K351-M364 PolarHBondContact NZ-OXT 3.02Å; I362-M364 HydrophobicContact CG2-CG 4.03Å

Retrieved 364 of 364 residues in 412.4 ms (Link to these results)

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