A0A060W782_ONCMY Loading...

N-acetylneuraminic acid phosphatase

AlphaFold DB , UniProt , Accession A0A060W782, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 243 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
1M40.3Very low77.9Confident242 Ų24263.8 Ų63.8100%1.19235%0.346SS*.  0114.70-72.2171-178.800105.6S3M1-S3 PolarHBondContact O-N 2.95Å
2N35.8Very low79.6Confident151 Ų15159.3 Ų59.381%0.80732%0.322SS*.  trans-59.7110.2-175.6-80.3-2000109.3E4N2-E4 PolarHBondContact O-N 3.06Å
3S44Very low81.1Confident90 Ų9054.7 Ų54.763%0.62930%0.297SS*.  trans-75.477.7168.958.20000108M1 G5M1-S3 PolarHBondContact O-N 2.95Å; S3-G5 PolarHBondContact O-N 2.84Å
4E65.5Low82.3Confident102 Ų10252.5 Ų52.548%0.47729%0.285SS..  trans-63.7127.6166.3-72.4-176.1174.700107.8N2 K7 R206N2-E4 PolarHBondContact O-N 3.06Å; E4-K7 WeakPolarHBondContact OE2-CE 3.46Å; E4-K7 IonicContact OE2-NZ 3.01Å; E4-K7 PolarHBondContact OE2-NZ 3.29Å; E4-R206 PolarHBondContact O-NH1 2.76Å
5G83.6Confident83.3Confident31 Ų3153.4 Ų53.432%0.3229%0.289SS..  trans-67.6178-17900000112.2S3 K7S3-G5 PolarHBondContact O-N 2.84Å; G5-K7 PolarHBondContact O-N 3.33Å
6I95.2Very high84.2Confident15 Ų1550.8 Ų50.88%0.07728%0.275CS..  trans-56.5126.2175.4-51.1-59.8000109.5A8 I9 H127 V187 R206 L239 L242I6-A8 WeakPolarHBondContact CG2-O 3.5Å; I6-I9 HydrophobicContact CG2-CG1 4.4Å; I6-H127 PolarHBondContact O-CD2 3.15Å; I6-V187 HydrophobicContact CD1-CG2 3.72Å; I6-V187 HydrophobicContact CG1-CG2 4.13Å; I6-V187 HydrophobicContact CG2-CG2 3.79Å; I6-R206 HydrophobicContact CD1-CB 4.17Å; I6-R206 VanDerWaalsContact CD1-CD 3.43Å; I6-R206 HydrophobicContact CD1-CG 3.8Å; I6-L239 HydrophobicContact CG1-CD2 4.44Å; I6-L239 HydrophobicContact CG2-CD2 4.49Å; I6-L242 HydrophobicContact CD1-CB 4.09Å; I6-L242 HydrophobicContact CD1-CD1 4.26Å; I6-L242 HydrophobicContact CG1-CB 4.13Å
7K97.5Very high85Confident71 Ų7148.2 Ų48.231%0.30926%0.261SS..  trans-101.3-28.5178.6-56.2-179.5-171.7150.60112.4E4 G5 K128 V181 D185E4-K7 WeakPolarHBondContact OE2-CE 3.46Å; E4-K7 IonicContact OE2-NZ 3.01Å; E4-K7 PolarHBondContact OE2-NZ 3.29Å; G5-K7 PolarHBondContact O-N 3.33Å; K7-K128 PolarHBondContact O-N 3.13Å; K7-V181 HydrophobicContact CB-CG1 3.97Å; K7-V181 HydrophobicContact CD-CG1 4.47Å; K7-D185 HydrophobicContact CB-CB 3.97Å; K7-D185 HydrophobicContact CD-CB 3.94Å; K7-D185 WeakPolarHBondContact CE-OD1 3.21Å; K7-D185 HydrophobicContact CG-CB 3.94Å; K7-D185 PolarHBondContact N-O 3.02Å; K7-D185 IonicContact NZ-OD1 2.74Å; K7-D185 PolarHBondContact NZ-OD1 3.08Å; K7-D185 IonicContact NZ-OD2 3.33Å; K7-D185 PolarHBondContact NZ-OD2 3.36Å
8A98.5Very high85.7Confident0 Ų045.8 Ų45.80%025%0.249CC..EExtended strand (participates in β ladder)trans-139.1147-175.700000113I6 K128 L179 V181 D185 C186 V187I6-A8 WeakPolarHBondContact CG2-O 3.5Å; A8-K128 CarbonylContact C-O 3.56Å; A8-K128 VanDerWaalsContact CA-O 3.25Å; A8-K128 WeakPolarHBondContact CA-O 3.5Å; A8-K128 HydrophobicContact CB-CB 4.24Å; A8-L179 HydrophobicContact CB-CD1 3.6Å; A8-V181 HydrophobicContact CB-CG1 4.31Å; A8-V181 HydrophobicContact CB-CG2 4.04Å; A8-D185 PolarHBondContact N-O 3.04Å; A8-C186 VanDerWaalsContact O-CA 3.32Å; A8-C186 WeakPolarHBondContact O-CA 3.38Å; A8-V187 PolarHBondContact O-N 2.96Å
9I98.8Very high86.3Confident0 Ų049 Ų490%027%0.265CS..EExtended strand (participates in β ladder)trans-125.4119.6174.4-51.6171.6000107.6I6 L11 L123 H127 K128 L129 L130 V189 L235 L239I6-I9 HydrophobicContact CG2-CG1 4.4Å; I9-L11 HydrophobicContact CG2-CD1 4.38Å; I9-L11 HydrophobicContact CG2-CD2 4.28Å; I9-L11 HydrophobicContact CG2-CG 4.01Å; I9-L123 HydrophobicContact CD1-CB 4.43Å; I9-L123 HydrophobicContact CD1-CD1 4.1Å; I9-L123 HydrophobicContact CD1-CD2 4.16Å; I9-L123 HydrophobicContact CD1-CG 4.47Å; I9-H127 HydrophobicContact CD1-CB 4.11Å; I9-H127 HydrophobicContact CG1-CB 4.22Å; I9-K128 PolarHBondContact N-O 2.84Å; I9-L129 HydrophobicContact CB-CD2 3.89Å; I9-L129 HydrophobicContact CD1-CD2 4.04Å; I9-L129 HydrophobicContact CG1-CD2 4.28Å; I9-L130 PolarHBondContact O-N 3.08Å; I9-V189 HydrophobicContact CG2-CG2 3.8Å; I9-L235 HydrophobicContact CG2-CD2 4.19Å; I9-L239 HydrophobicContact CD1-CD1 3.66Å; I9-L239 HydrophobicContact CD1-CD2 4.27Å
10L98.9Very high86.8Confident0 Ų047.5 Ų47.50%026%0.258CS..EExtended strand (participates in β ladder)trans-93.9120.9174.6-57.6141.6000106.7L130 F172 C175 F176 C186 V187 M188 V189 V205L10-L130 CarbonylContact C-O 3.59Å; L10-L130 WeakPolarHBondContact CA-O 3.46Å; L10-L130 HydrophobicContact CD2-CB 4.17Å; L10-L130 HydrophobicContact CD2-CD1 4.28Å; L10-L130 HydrophobicContact CD2-CD2 3.74Å; L10-L130 HydrophobicContact CD2-CG 4.28Å; L10-F172 HydrophobicContact CD1-CD1 4.35Å; L10-C175 HydrophobicContact CD2-CB 3.54Å; L10-F176 HydrophobicContact CD1-CE1 3.89Å; L10-C186 HydrophobicContact CD1-CB 3.87Å; L10-V187 PolarHBondContact N-O 3.46Å; L10-M188 HydrophobicContact CB-SD 3.58Å; L10-M188 VanDerWaalsContact CB-SD 3.58Å; L10-V189 PolarHBondContact O-N 3.14Å; L10-V205 HydrophobicContact CD1-CG1 4.4Å
11L98.9Very high87.2Confident0 Ų048.4 Ų48.40%027%0.272CS..EExtended strand (participates in β ladder)trans-115.3129.5-175.3-71.9151000109I9 L17 L120 L129 L130 L131 L132 F153 V189 V232I9-L11 HydrophobicContact CG2-CD1 4.38Å; I9-L11 HydrophobicContact CG2-CD2 4.28Å; I9-L11 HydrophobicContact CG2-CG 4.01Å; L11-L17 HydrophobicContact CB-CD1 4.22Å; L11-L17 HydrophobicContact CD2-CD2 4.35Å; L11-L120 HydrophobicContact CD1-CD2 3.62Å; L11-L129 HydrophobicContact CD1-CD2 4.45Å; L11-L130 PolarHBondContact N-O 2.88Å; L11-L131 CarbonylContact O-C 3.58Å; L11-L131 WeakPolarHBondContact O-CA 3.07Å; L11-L132 PolarHBondContact O-N 2.8Å; L11-F153 HydrophobicContact CB-CE1 4.4Å; L11-F153 HydrophobicContact CD1-CE1 3.87Å; L11-V189 HydrophobicContact CD2-CB 3.94Å; L11-V189 HydrophobicContact CD2-CG1 4.2Å; L11-V189 HydrophobicContact CD2-CG2 4.32Å; L11-V232 HydrophobicContact CD2-CG2 4.15Å
12D98.8Very high89.9Confident9 Ų938.2 Ų38.25%0.04823%0.229CC..  trans-68.9161.1162.3179.261000111.3D14 T16 L17 K166 M188 V189D12-D14 PolarHBondContact OD2-N 3.25Å; D12-D14 VanDerWaalsContact OD2-N 3.1Å; D12-T16 HydrophobicContact CB-CG2 4.28Å; D12-T16 PolarHBondContact OD2-OG1 3.25Å; D12-L17 WeakPolarHBondContact O-CD1 3.31Å; D12-L17 WeakPolarHBondContact O-CG 3.5Å; D12-K166 IonicContact OD1-NZ 3.22Å; D12-K166 PolarHBondContact OD1-NZ 3.33Å; D12-M188 HydrophobicContact CB-CE 4.29Å; D12-V189 PolarHBondContact N-O 2.94Å
13L98.5Very high92.8Very high0 Ų031.3 Ų31.30%019%0.193CC..  trans-97-62.9178.8-176.459.8000112.1T16 L17 I18 L131 K143 L147L13-T16 PolarHBondContact O-N 3.07Å; L13-L17 HydrophobicContact CD1-CB 4.46Å; L13-L17 PolarHBondContact O-N 2.93Å; L13-I18 HydrophobicContact CD1-CD1 3.81Å; L13-I18 HydrophobicContact CD1-CG1 4.18Å; L13-I18 HydrophobicContact CD1-CG2 4.34Å; L13-I18 HydrophobicContact CD2-CD1 4.17Å; L13-I18 HydrophobicContact CG-CD1 3.7Å; L13-I18 HydrophobicContact CG-CG1 4.19Å; L13-I18 WeakPolarHBondContact O-CG1 3.3Å; L13-I18 PolarHBondContact O-N 3.29Å; L13-L131 HydrophobicContact CB-CD1 3.91Å; L13-L131 HydrophobicContact CB-CG 4.5Å; L13-L131 HydrophobicContact CD1-CD1 4.11Å; L13-L131 HydrophobicContact CD1-CD2 4.22Å; L13-L131 HydrophobicContact CD2-CD2 4.46Å; L13-K143 HydrophobicContact CD2-CB 4.22Å; L13-K143 HydrophobicContact CD2-CD 4.25Å; L13-L147 HydrophobicContact CD1-CD1 4.06Å
14D98.1Very high95.4Very high24 Ų2427.9 Ų27.913%0.12817%0.171CC..BIsolated β-bridgetrans-78122.8-161.9-75.6-64.4000110.3D12 T16 T20 Q140 K143D12-D14 PolarHBondContact OD2-N 3.25Å; D12-D14 VanDerWaalsContact OD2-N 3.1Å; D14-T16 PolarHBondContact O-N 2.94Å; D14-T20 VanDerWaalsContact OD1-CB 3.3Å; D14-T20 WeakPolarHBondContact OD1-CB 3.38Å; D14-T20 VanDerWaalsContact OD1-CG2 3.32Å; D14-T20 WeakPolarHBondContact OD1-CG2 3.29Å; D14-T20 PolarHBondContact OD1-OG1 3.34Å; D14-Q140 PolarHBondContact OD2-NE2 2.7Å; D14-K143 WeakPolarHBondContact OD1-CE 3.5Å; D14-K143 IonicContact OD1-NZ 2.71Å; D14-K143 PolarHBondContact OD1-NZ 3.32Å; D14-K143 IonicContact OD2-NZ 2.82Å; D14-K143 PolarHBondContact OD2-NZ 3.22Å
15N96.8Very high96.9Very high66 Ų6624.7 Ų24.735%0.35317%0.166SC..THydrogen-bonded Turntrans63.2-4.2-174-42.3-54.2000115.3I18 T20 A21 D191N15-I18 WeakPolarHBondContact CA-O 3.39Å; N15-I18 PolarHBondContact N-O 3.01Å; N15-T20 PolarHBondContact OD1-N 3.22Å; N15-A21 WeakPolarHBondContact OD1-CB 3.29Å; N15-A21 PolarHBondContact OD1-N 2.71Å; N15-D191 WeakPolarHBondContact CB-OD2 3.03Å
16T97.9Very high97.6Very high11 Ų1125.9 Ų25.97%0.06717%0.167CC..THydrogen-bonded Turntrans-92.4-55.7170.2-60.90000111.9D12 L13 D14 G190 D191 I211D12-T16 HydrophobicContact CB-CG2 4.28Å; D12-T16 PolarHBondContact OD2-OG1 3.25Å; L13-T16 PolarHBondContact O-N 3.07Å; D14-T16 PolarHBondContact O-N 2.94Å; T16-G190 WeakPolarHBondContact OG1-CA 3.24Å; T16-D191 PolarHBondContact OG1-N 2.67Å; T16-I211 HydrophobicContact CG2-CG1 4.2Å
17L98.3Very high97.7Very high7 Ų725.1 Ų25.14%0.03716%0.163CC..THydrogen-bonded Turntrans-104-24.4-179.3-66.4179.7000113.1L11 D12 L13 V116 L120 L131 F153 V232L11-L17 HydrophobicContact CB-CD1 4.22Å; L11-L17 HydrophobicContact CD2-CD2 4.35Å; D12-L17 WeakPolarHBondContact O-CD1 3.31Å; D12-L17 WeakPolarHBondContact O-CG 3.5Å; L13-L17 HydrophobicContact CD1-CB 4.46Å; L13-L17 PolarHBondContact O-N 2.93Å; L17-V116 HydrophobicContact CD2-CG1 3.84Å; L17-L120 HydrophobicContact CD2-CD2 4.36Å; L17-L131 HydrophobicContact CD1-CD1 3.84Å; L17-F153 HydrophobicContact CD1-CE1 4.3Å; L17-F153 HydrophobicContact CD1-CZ 3.74Å; L17-V232 HydrophobicContact CD2-CG1 4.34Å; L17-V232 HydrophobicContact CD2-CG2 4.11Å
18I97.6Very high97.8Very high6 Ų622.9 Ų22.93%0.03115%0.154CC..BIsolated β-bridgetrans-136.3149-177.865.2-179.3000110.2L13 N15 T20 L110 I112 L147L13-I18 HydrophobicContact CD1-CD1 3.81Å; L13-I18 HydrophobicContact CD1-CG1 4.18Å; L13-I18 HydrophobicContact CD1-CG2 4.34Å; L13-I18 HydrophobicContact CD2-CD1 4.17Å; L13-I18 HydrophobicContact CG-CD1 3.7Å; L13-I18 HydrophobicContact CG-CG1 4.19Å; L13-I18 WeakPolarHBondContact O-CG1 3.3Å; L13-I18 PolarHBondContact O-N 3.29Å; N15-I18 WeakPolarHBondContact CA-O 3.39Å; N15-I18 PolarHBondContact N-O 3.01Å; I18-T20 WeakPolarHBondContact CG1-OG1 3.46Å; I18-T20 PolarHBondContact O-N 2.85Å; I18-T20 VanDerWaalsContact O-N 3.1Å; I18-L110 HydrophobicContact CB-CD2 4.38Å; I18-L110 HydrophobicContact CD1-CD1 4Å; I18-L110 HydrophobicContact CD1-CD2 3.86Å; I18-L110 HydrophobicContact CD1-CG 4.32Å; I18-L110 HydrophobicContact CG1-CD2 4.2Å; I18-I112 HydrophobicContact CG2-CG1 3.99Å; I18-L147 HydrophobicContact CD1-CD1 3.77Å; I18-L147 HydrophobicContact CG2-CD1 3.79Å; I18-L147 HydrophobicContact CG2-CD2 3.98Å
19D96.8Very high97.7Very high106 Ų10628.6 Ų28.657%0.56718%0.181SC*.  trans-85.677.7178.9-177.815.8000111.9G22 A23D19-G22 WeakPolarHBondContact OD1-CA 3.16Å; D19-G22 PolarHBondContact OD1-N 3.46Å; D19-G22 WeakPolarHBondContact OD2-CA 3.35Å; D19-A23 WeakPolarHBondContact O-CB 3.31Å; D19-A23 PolarHBondContact O-N 3.5Å; D19-A23 VanDerWaalsContact O-N 3.11Å
20T96.6Very high97.7Very high19 Ų1932.4 Ų32.412%0.11720%0.198CC..Hα-helixtrans-70.7-37.1-179.5-62.50000112.2D14 N15 I18 G24D14-T20 VanDerWaalsContact OD1-CB 3.3Å; D14-T20 WeakPolarHBondContact OD1-CB 3.38Å; D14-T20 VanDerWaalsContact OD1-CG2 3.32Å; D14-T20 WeakPolarHBondContact OD1-CG2 3.29Å; D14-T20 PolarHBondContact OD1-OG1 3.34Å; N15-T20 PolarHBondContact OD1-N 3.22Å; I18-T20 WeakPolarHBondContact CG1-OG1 3.46Å; I18-T20 PolarHBondContact O-N 2.85Å; I18-T20 VanDerWaalsContact O-N 3.1Å; T20-G24 PolarHBondContact O-N 3.43Å
21A95.4Very high97.6Very high67 Ų6732.4 Ų32.455%0.55420%0.198SC*.Hα-helixtrans-63.7-47.4177.100000111.7N15 G24 G25N15-A21 WeakPolarHBondContact OD1-CB 3.29Å; N15-A21 PolarHBondContact OD1-N 2.71Å; A21-G24 PolarHBondContact O-N 2.91Å; A21-G25 PolarHBondContact O-N 3.15Å
22G96.4Very high97.5Very high28 Ų2833.5 Ų33.529%0.28920%0.204SC..Hα-helixtrans-63.1-46.3176.900000112.4D19 G24 G25 V26D19-G22 WeakPolarHBondContact OD1-CA 3.16Å; D19-G22 PolarHBondContact OD1-N 3.46Å; D19-G22 WeakPolarHBondContact OD2-CA 3.35Å; G22-G24 VanDerWaalsContact C-N 3.29Å; G22-G24 PolarHBondContact O-N 2.86Å; G22-G25 PolarHBondContact O-N 3.04Å; G22-G25 VanDerWaalsContact O-N 3.14Å; G22-V26 PolarHBondContact O-N 2.75Å
23A97.6Very high97.4Very high5 Ų538 Ų384%0.04123%0.225CC..Hα-helixtrans-59-40.8174.500000112.1D19 V26 A27 R106 L109 L110D19-A23 WeakPolarHBondContact O-CB 3.31Å; D19-A23 PolarHBondContact O-N 3.5Å; D19-A23 VanDerWaalsContact O-N 3.11Å; A23-V26 PolarHBondContact O-N 2.84Å; A23-A27 WeakPolarHBondContact O-CB 3.07Å; A23-A27 PolarHBondContact O-N 3.27Å; A23-R106 HydrophobicContact CB-CB 4.43Å; A23-L109 HydrophobicContact CB-CB 3.92Å; A23-L110 HydrophobicContact CB-CD2 3.88Å; A23-L110 HydrophobicContact CB-CG 4.49Å
24G97.1Very high97.3Very high18 Ų1840.2 Ų40.219%0.18624%0.236CC..Hα-helixtrans-63-40.6174.400000113T20 A21 G22 A27 I28T20-G24 PolarHBondContact O-N 3.43Å; A21-G24 PolarHBondContact O-N 2.91Å; G22-G24 VanDerWaalsContact C-N 3.29Å; G22-G24 PolarHBondContact O-N 2.86Å; G24-A27 PolarHBondContact O-N 3.2Å; G24-I28 WeakPolarHBondContact O-CG1 3.48Å; G24-I28 PolarHBondContact O-N 3.43Å
25G97.5Very high97.1Very high35 Ų3539.1 Ų39.136%0.36123%0.23SC..Hα-helixtrans-60.5-47.5175.400000112.6A21 G22 I28 Q29A21-G25 PolarHBondContact O-N 3.15Å; G22-G25 PolarHBondContact O-N 3.04Å; G22-G25 VanDerWaalsContact O-N 3.14Å; G25-I28 PolarHBondContact O-N 3.33Å; G25-Q29 WeakPolarHBondContact O-CG 3.41Å; G25-Q29 PolarHBondContact O-N 3.34Å; G25-Q29 VanDerWaalsContact O-N 3.08Å
26V98.3Very high97Very high56 Ų5640.9 Ų40.934%0.33924%0.235SC..Hα-helixtrans-65.5-39.9176.8179.20000111.3G22 A23 I28 Q29 K30 T105 L109G22-V26 PolarHBondContact O-N 2.75Å; A23-V26 PolarHBondContact O-N 2.84Å; V26-I28 VanDerWaalsContact C-N 3.34Å; V26-I28 PolarHBondContact O-N 3.14Å; V26-Q29 WeakPolarHBondContact O-CB 3.22Å; V26-Q29 PolarHBondContact O-N 3.42Å; V26-Q29 VanDerWaalsContact O-N 3.14Å; V26-K30 PolarHBondContact O-N 3.12Å; V26-T105 HydrophobicContact CG1-CG2 4.26Å; V26-L109 HydrophobicContact CB-CD1 3.6Å; V26-L109 HydrophobicContact CG1-CD1 3.56Å; V26-L109 HydrophobicContact CG2-CD1 4.25Å
27A98.1Very high96.7Very high0 Ų045.3 Ų45.30%026%0.262CS..Hα-helixtrans-59.8-42.7176.300000112.5A23 G24 Q29 K30 V31 W102 T105 R106A23-A27 WeakPolarHBondContact O-CB 3.07Å; A23-A27 PolarHBondContact O-N 3.27Å; G24-A27 PolarHBondContact O-N 3.2Å; A27-Q29 VanDerWaalsContact C-N 3.34Å; A27-K30 PolarHBondContact O-N 3.29Å; A27-V31 PolarHBondContact O-N 3.43Å; A27-W102 HydrophobicContact CB-CG 4.23Å; A27-W102 WeakPolarHBondContact CB-O 3.43Å; A27-T105 HydrophobicContact CB-CG2 4.1Å; A27-R106 HydrophobicContact CB-CB 4.12Å
28I98.1Very high96.2Very high23 Ų2349.5 Ų49.512%0.11829%0.288CS..Hα-helixtrans-65.6-36.9174.6-68.1-66.3000111.7G24 G25 V26 K30 V31 T32 C48 F51 K52 W76G24-I28 WeakPolarHBondContact O-CG1 3.48Å; G24-I28 PolarHBondContact O-N 3.43Å; G25-I28 PolarHBondContact O-N 3.33Å; V26-I28 VanDerWaalsContact C-N 3.34Å; V26-I28 PolarHBondContact O-N 3.14Å; I28-K30 VanDerWaalsContact C-N 3.34Å; I28-V31 PolarHBondContact O-N 3.14Å; I28-T32 WeakPolarHBondContact O-CB 3.36Å; I28-T32 PolarHBondContact O-N 3.42Å; I28-T32 PolarHBondContact O-OG1 3.45Å; I28-C48 HydrophobicContact CG2-CB 4.01Å; I28-F51 HydrophobicContact CD1-CD1 3.87Å; I28-F51 HydrophobicContact CD1-CE1 4.08Å; I28-K52 HydrophobicContact CD1-CG 4.19Å; I28-K52 HydrophobicContact CG1-CD 4.43Å; I28-K52 HydrophobicContact CG1-CG 4.43Å; I28-W76 HydrophobicContact CD1-CH2 4.17Å; I28-W76 HydrophobicContact CD1-CZ2 4.25Å
29Q97.6Very high95.9Very high120 Ų12050.7 Ų50.756%0.56129%0.294SS*.Hα-helixtrans-62.1-41.5173.3-70.4172.9-2.600111.6G25 V26 A27 T32 E33G25-Q29 WeakPolarHBondContact O-CG 3.41Å; G25-Q29 PolarHBondContact O-N 3.34Å; G25-Q29 VanDerWaalsContact O-N 3.08Å; V26-Q29 WeakPolarHBondContact O-CB 3.22Å; V26-Q29 PolarHBondContact O-N 3.42Å; V26-Q29 VanDerWaalsContact O-N 3.14Å; A27-Q29 VanDerWaalsContact C-N 3.34Å; Q29-T32 VanDerWaalsContact O-CB 3.31Å; Q29-T32 WeakPolarHBondContact O-CB 3.44Å; Q29-T32 PolarHBondContact O-N 3.02Å; Q29-E33 WeakPolarHBondContact O-CG 3.35Å; Q29-E33 PolarHBondContact O-N 3.16Å
30K97.9Very high95.7Very high81 Ų8149.6 Ų49.635%0.35229%0.289SS..Hα-helixtrans-64.8-40.1175.8-70.6-56-177.6-172.60113.5V26 A27 I28 T32 E33 L34 Q101 T105V26-K30 PolarHBondContact O-N 3.12Å; A27-K30 PolarHBondContact O-N 3.29Å; I28-K30 VanDerWaalsContact C-N 3.34Å; K30-T32 VanDerWaalsContact C-N 3.31Å; K30-E33 VanDerWaalsContact CD-OE2 3.24Å; K30-E33 WeakPolarHBondContact CD-OE2 3.38Å; K30-E33 IonicContact NZ-OE1 3.45Å; K30-E33 IonicContact NZ-OE2 3.85Å; K30-E33 PolarHBondContact NZ-OE2 2.93Å; K30-E33 PolarHBondContact O-N 2.61Å; K30-L34 PolarHBondContact O-N 3.45Å; K30-Q101 HydrophobicContact CB-CG 4.16Å; K30-T105 HydrophobicContact CB-CG2 4.41Å; K30-T105 HydrophobicContact CG-CG2 3.89Å
31V97.9Very high95.5Very high0 Ų054.1 Ų54.10%031%0.308CS..Hα-helixtrans-66.4-37172.4179.20000111.7A27 I28 E33 L34 L35 W76 C98 Q101 W102A27-V31 PolarHBondContact O-N 3.43Å; I28-V31 PolarHBondContact O-N 3.14Å; V31-E33 VanDerWaalsContact C-N 3.31Å; V31-E33 PolarHBondContact O-N 3.29Å; V31-L34 WeakPolarHBondContact O-CB 3.47Å; V31-L34 PolarHBondContact O-N 2.98Å; V31-L35 HydrophobicContact CG1-CD1 3.9Å; V31-L35 HydrophobicContact CG1-CG 4.17Å; V31-L35 WeakPolarHBondContact O-CG 3.14Å; V31-L35 PolarHBondContact O-N 3.48Å; V31-W76 HydrophobicContact CB-CH2 3.97Å; V31-W76 HydrophobicContact CB-CZ2 4.4Å; V31-W76 HydrophobicContact CG1-CE3 4.42Å; V31-W76 HydrophobicContact CG1-CH2 3.39Å; V31-W76 HydrophobicContact CG1-CZ2 4.02Å; V31-W76 HydrophobicContact CG1-CZ3 3.61Å; V31-W76 HydrophobicContact CG2-CH2 4.22Å; V31-W76 HydrophobicContact CG2-CZ2 4.14Å; V31-C98 HydrophobicContact CG1-CB 3.78Å; V31-C98 VanDerWaalsContact CG2-O 3.3Å; V31-C98 WeakPolarHBondContact CG2-O 3.43Å; V31-Q101 HydrophobicContact CG2-CB 4.11Å; V31-Q101 HydrophobicContact CG2-CG 4.09Å; V31-W102 HydrophobicContact CG2-CB 3.75Å
32T97.1Very high95.5Very high22 Ų2258.4 Ų58.414%0.13532%0.317CS..Hα-helixtrans-60.5-41174.2-63.30000111.5I28 Q29 K30 K36 T44 C48I28-T32 WeakPolarHBondContact O-CB 3.36Å; I28-T32 PolarHBondContact O-N 3.42Å; I28-T32 PolarHBondContact O-OG1 3.45Å; Q29-T32 VanDerWaalsContact O-CB 3.31Å; Q29-T32 WeakPolarHBondContact O-CB 3.44Å; Q29-T32 PolarHBondContact O-N 3.02Å; K30-T32 VanDerWaalsContact C-N 3.31Å; T32-K36 HydrophobicContact CG2-CD 4.29Å; T32-K36 WeakPolarHBondContact O-CB 3.33Å; T32-K36 VanDerWaalsContact O-CG 3.23Å; T32-K36 WeakPolarHBondContact O-CG 3.4Å; T32-K36 PolarHBondContact O-N 3.35Å; T32-K36 VanDerWaalsContact O-N 3.14Å; T32-T44 HydrophobicContact CG2-CG2 3.69Å; T32-C48 PolarHBondContact OG1-SG 3.26Å; T32-C48 VanDerWaalsContact OG1-SG 3.36Å
33E96.6Very high95.4Very high105 Ų10560.2 Ų60.249%0.49132%0.318SS..Hα-helixtrans-63-42.7173.5-71.5170.5-177.200111.9Q29 K30 V31Q29-E33 WeakPolarHBondContact O-CG 3.35Å; Q29-E33 PolarHBondContact O-N 3.16Å; K30-E33 VanDerWaalsContact CD-OE2 3.24Å; K30-E33 WeakPolarHBondContact CD-OE2 3.38Å; K30-E33 IonicContact NZ-OE1 3.45Å; K30-E33 IonicContact NZ-OE2 3.85Å; K30-E33 PolarHBondContact NZ-OE2 2.93Å; K30-E33 PolarHBondContact O-N 2.61Å; V31-E33 VanDerWaalsContact C-N 3.31Å; V31-E33 PolarHBondContact O-N 3.29Å
34L95.6Very high95.3Very high46 Ų4660 Ų6024%0.24132%0.316CS..Hα-helixtrans-60.9-50.2176.417666.7000111.8K30 V31 K36 T37 E97 Q101K30-L34 PolarHBondContact O-N 3.45Å; V31-L34 WeakPolarHBondContact O-CB 3.47Å; V31-L34 PolarHBondContact O-N 2.98Å; L34-K36 VanDerWaalsContact C-N 3.34Å; L34-K36 PolarHBondContact O-N 3.37Å; L34-T37 WeakPolarHBondContact O-CB 3.19Å; L34-T37 WeakPolarHBondContact O-CG2 3.27Å; L34-T37 PolarHBondContact O-N 3.23Å; L34-T37 PolarHBondContact O-OG1 3.12Å; L34-E97 HydrophobicContact CD2-CB 4.18Å; L34-Q101 HydrophobicContact CD2-CB 4.3Å
35L94.9Very high95.3Very high0 Ų062.4 Ų62.40%032%0.324CS..Hα-helixtrans-64.6-36.7-178.1-74171.8000112.5V31 T37 T38 L39 T44 I47 W76 L94V31-L35 HydrophobicContact CG1-CD1 3.9Å; V31-L35 HydrophobicContact CG1-CG 4.17Å; V31-L35 WeakPolarHBondContact O-CG 3.14Å; V31-L35 PolarHBondContact O-N 3.48Å; L35-T37 PolarHBondContact O-N 3.09Å; L35-T38 PolarHBondContact O-N 3.45Å; L35-T38 PolarHBondContact O-OG1 3.47Å; L35-L39 HydrophobicContact CD2-CD1 4.01Å; L35-L39 PolarHBondContact O-N 2.89Å; L35-T44 HydrophobicContact CB-CG2 3.63Å; L35-T44 HydrophobicContact CD1-CG2 4.05Å; L35-I47 HydrophobicContact CD1-CB 4.3Å; L35-I47 HydrophobicContact CD1-CG2 3.99Å; L35-W76 HydrophobicContact CD1-CZ3 4.42Å; L35-L94 HydrophobicContact CD2-CD1 4.09Å; L35-L94 HydrophobicContact CD2-CD2 4.11Å; L35-L94 HydrophobicContact CD2-CG 4.26Å
36K94.3Very high95.3Very high103 Ų10362.3 Ų62.345%0.44832%0.32SS..THydrogen-bonded Turntrans-59.6-15.9176.8-80.7172.3179.2177.90114.4T32 L34 T38 L39 T44T32-K36 HydrophobicContact CG2-CD 4.29Å; T32-K36 WeakPolarHBondContact O-CB 3.33Å; T32-K36 VanDerWaalsContact O-CG 3.23Å; T32-K36 WeakPolarHBondContact O-CG 3.4Å; T32-K36 PolarHBondContact O-N 3.35Å; T32-K36 VanDerWaalsContact O-N 3.14Å; L34-K36 VanDerWaalsContact C-N 3.34Å; L34-K36 PolarHBondContact O-N 3.37Å; K36-T38 PolarHBondContact O-N 3.34Å; K36-L39 WeakPolarHBondContact CA-O 3.41Å; K36-T44 HydrophobicContact CG-CG2 4.34Å
37T90.4Very high95.2Very high105 Ų10559.7 Ų59.764%0.64430%0.304SS*.THydrogen-bonded Turntrans-70.5-21.2174.567.30000113L34 L35L34-T37 WeakPolarHBondContact O-CB 3.19Å; L34-T37 WeakPolarHBondContact O-CG2 3.27Å; L34-T37 PolarHBondContact O-N 3.23Å; L34-T37 PolarHBondContact O-OG1 3.12Å; L35-T37 PolarHBondContact O-N 3.09Å
38T87.6Confident95.2Very high95 Ų9559.8 Ų59.858%0.58331%0.305SS*.THydrogen-bonded Turntrans-129.8-22.1-174.854.10000113.8L35 K36L35-T38 PolarHBondContact O-N 3.45Å; L35-T38 PolarHBondContact O-OG1 3.47Å; K36-T38 PolarHBondContact O-N 3.34Å
39L91.3Very high95.2Very high30 Ų3062.4 Ų62.416%0.15732%0.319CS..SBendtrans-120.6155.4-177.3-56.3-179.8000111L35 K36 H43 I47 M84L35-L39 HydrophobicContact CD2-CD1 4.01Å; L35-L39 PolarHBondContact O-N 2.89Å; K36-L39 WeakPolarHBondContact CA-O 3.41Å; L39-H43 HydrophobicContact CB-CB 4.46Å; L39-I47 HydrophobicContact CD1-CD1 3.41Å; L39-I47 VanDerWaalsContact CD1-CD1 3.41Å; L39-M84 HydrophobicContact CD2-CE 3.87Å; L39-M84 HydrophobicContact CD2-SD 3.9Å
40D93.6Very high95.2Very high84 Ų8462 Ų6245%0.44931%0.312SS..  trans-71.8173.9171.56648.8000112.4E42 H43 T44D40-E42 VanDerWaalsContact C-N 3.34Å; D40-E42 PolarHBondContact O-N 2.91Å; D40-E42 PolarHBondContact OD1-N 3.35Å; D40-H43 IonicContact OD1-CE1 2.66Å; D40-H43 IonicContact OD1-CG 2.71Å; D40-H43 PolarHBondContact OD1-N 2.86Å; D40-H43 IonicContact OD1-ND1 3.23Å; D40-H43 PolarHBondContact OD1-ND1 3.23Å; D40-H43 IonicContact OD2-CE1 2.75Å; D40-H43 PolarHBondContact OD2-CE1 3.04Å; D40-H43 VanDerWaalsContact OD2-CE1 3.24Å; D40-H43 IonicContact OD2-ND1 2.95Å; D40-H43 PolarHBondContact OD2-ND1 3.05Å; D40-T44 WeakPolarHBondContact O-CB 3.36Å; D40-T44 PolarHBondContact O-N 2.87Å; D40-T44 VanDerWaalsContact O-N 3.14Å; D40-T44 PolarHBondContact O-OG1 3.26Å
41H92.7Very high95.2Very high114 Ų11458.1 Ų58.153%0.52830%0.295SS..Hα-helixtrans-64.1-37.9-175.6-172.745.4000113.3I45H41-I45 WeakPolarHBondContact CE1-CD1 3.44Å; H41-I45 WeakPolarHBondContact NE2-CD1 3.24Å; H41-I45 WeakPolarHBondContact O-CG1 3.46Å; H41-I45 PolarHBondContact O-N 3.16Å; H41-I45 VanDerWaalsContact O-N 3.15Å
42E95Very high95.2Very high157 Ų15762.6 Ų62.673%0.73432%0.315SS*.Hα-helixtrans-70.5-49.9-174.9-175176.7179.400110.5D40 T44 I45 A46D40-E42 VanDerWaalsContact C-N 3.34Å; D40-E42 PolarHBondContact O-N 2.91Å; D40-E42 PolarHBondContact OD1-N 3.35Å; E42-T44 VanDerWaalsContact C-N 3.29Å; E42-T44 PolarHBondContact O-N 2.92Å; E42-I45 PolarHBondContact O-N 3.34Å; E42-A46 PolarHBondContact O-N 3.08Å; E42-A46 VanDerWaalsContact O-N 3.09Å
43H94.9Very high95.2Very high65 Ų6567.1 Ų67.130%0.30133%0.334SS..Hα-helixtrans-61.2-40.8176.4-65.899.7000111.1L39 D40 I45 A46 I47 V83L39-H43 HydrophobicContact CB-CB 4.46Å; D40-H43 IonicContact OD1-CE1 2.66Å; D40-H43 IonicContact OD1-CG 2.71Å; D40-H43 PolarHBondContact OD1-N 2.86Å; D40-H43 IonicContact OD1-ND1 3.23Å; D40-H43 PolarHBondContact OD1-ND1 3.23Å; D40-H43 IonicContact OD2-CE1 2.75Å; D40-H43 PolarHBondContact OD2-CE1 3.04Å; D40-H43 VanDerWaalsContact OD2-CE1 3.24Å; D40-H43 IonicContact OD2-ND1 2.95Å; D40-H43 PolarHBondContact OD2-ND1 3.05Å; H43-I45 PolarHBondContact O-N 3.17Å; H43-A46 PolarHBondContact O-N 3.23Å; H43-I47 WeakPolarHBondContact O-CD1 3.29Å; H43-I47 VanDerWaalsContact O-CG1 3.24Å; H43-I47 WeakPolarHBondContact O-CG1 3.35Å; H43-I47 PolarHBondContact O-N 3.38Å; H43-V83 HydrophobicContact CB-CG1 3.85Å; H43-V83 VanDerWaalsContact CD2-CG1 3.49Å; H43-V83 WeakPolarHBondContact CD2-CG1 3.34Å
44T95.8Very high95.3Very high0 Ų063.8 Ų63.80%032%0.318CS..Hα-helixtrans-59.7-47.8179.6-60.90000112.3T32 L35 K36 D40 E42 I47 C48T32-T44 HydrophobicContact CG2-CG2 3.69Å; L35-T44 HydrophobicContact CB-CG2 3.63Å; L35-T44 HydrophobicContact CD1-CG2 4.05Å; K36-T44 HydrophobicContact CG-CG2 4.34Å; D40-T44 WeakPolarHBondContact O-CB 3.36Å; D40-T44 PolarHBondContact O-N 2.87Å; D40-T44 VanDerWaalsContact O-N 3.14Å; D40-T44 PolarHBondContact O-OG1 3.26Å; E42-T44 VanDerWaalsContact C-N 3.29Å; E42-T44 PolarHBondContact O-N 2.92Å; T44-I47 PolarHBondContact O-N 3.18Å; T44-C48 PolarHBondContact O-N 3.39Å
45I95.9Very high95.3Very high69 Ų6963.9 Ų63.935%0.35432%0.318SS..Hα-helixtrans-62.1-47.1178.6-71.2171.1000110H41 E42 H43 I47 C48 D49H41-I45 WeakPolarHBondContact CE1-CD1 3.44Å; H41-I45 WeakPolarHBondContact NE2-CD1 3.24Å; H41-I45 WeakPolarHBondContact O-CG1 3.46Å; H41-I45 PolarHBondContact O-N 3.16Å; H41-I45 VanDerWaalsContact O-N 3.15Å; E42-I45 PolarHBondContact O-N 3.34Å; H43-I45 PolarHBondContact O-N 3.17Å; I45-I47 VanDerWaalsContact C-N 3.3Å; I45-I47 PolarHBondContact O-N 3.43Å; I45-C48 PolarHBondContact O-N 3Å; I45-D49 WeakPolarHBondContact CG2-OD2 3.42Å; I45-D49 PolarHBondContact O-N 2.81Å
46A97Very high95.2Very high34 Ų3471.4 Ų71.428%0.28135%0.353SS..Hα-helixtrans-59.5-39.5-178.500000112.6E42 H43 D49 R50 V83E42-A46 PolarHBondContact O-N 3.08Å; E42-A46 VanDerWaalsContact O-N 3.09Å; H43-A46 PolarHBondContact O-N 3.23Å; A46-D49 PolarHBondContact O-N 3.26Å; A46-R50 WeakPolarHBondContact O-CB 3.49Å; A46-R50 WeakPolarHBondContact O-CG 3.48Å; A46-R50 PolarHBondContact O-N 3.44Å; A46-V83 HydrophobicContact CB-CG1 4.17Å; A46-V83 HydrophobicContact CB-CG2 3.82Å
47I97.3Very high95.2Very high0 Ų071.9 Ų71.90%036%0.357CS..Hα-helixtrans-64.1-49.9176.5-68.2163.9000110.5L35 L39 H43 T44 I45 D49 R50 F51 W76 I80 V83L35-I47 HydrophobicContact CD1-CB 4.3Å; L35-I47 HydrophobicContact CD1-CG2 3.99Å; L39-I47 HydrophobicContact CD1-CD1 3.41Å; L39-I47 VanDerWaalsContact CD1-CD1 3.41Å; H43-I47 WeakPolarHBondContact O-CD1 3.29Å; H43-I47 VanDerWaalsContact O-CG1 3.24Å; H43-I47 WeakPolarHBondContact O-CG1 3.35Å; H43-I47 PolarHBondContact O-N 3.38Å; T44-I47 PolarHBondContact O-N 3.18Å; I45-I47 VanDerWaalsContact C-N 3.3Å; I45-I47 PolarHBondContact O-N 3.43Å; I47-D49 VanDerWaalsContact C-N 3.29Å; I47-D49 PolarHBondContact O-N 2.85Å; I47-R50 PolarHBondContact O-N 3.42Å; I47-F51 WeakPolarHBondContact O-CB 3.23Å; I47-F51 PolarHBondContact O-N 3.4Å; I47-W76 HydrophobicContact CG2-CE3 3.99Å; I47-W76 HydrophobicContact CG2-CZ3 3.92Å; I47-I80 HydrophobicContact CD1-CG1 4.13Å; I47-I80 HydrophobicContact CG1-CG1 4.45Å; I47-I80 HydrophobicContact CG2-CG1 3.83Å; I47-V83 HydrophobicContact CD1-CB 4.47Å; I47-V83 HydrophobicContact CD1-CG1 4.27Å; I47-V83 HydrophobicContact CG1-CB 3.77Å; I47-V83 HydrophobicContact CG1-CG1 3.86Å; I47-V83 HydrophobicContact CG1-CG2 3.86Å
48C97.8Very high95.4Very high3 Ų369.1 Ų69.12%0.0234%0.337CS..Hα-helixtrans-60.9-38.5179.1-73.90000112.1I28 T32 T44 I45 K52I28-C48 HydrophobicContact CG2-CB 4.01Å; T32-C48 PolarHBondContact OG1-SG 3.26Å; T32-C48 VanDerWaalsContact OG1-SG 3.36Å; T44-C48 PolarHBondContact O-N 3.39Å; I45-C48 PolarHBondContact O-N 3Å; C48-K52 WeakPolarHBondContact O-CE 3.32Å; C48-K52 WeakPolarHBondContact O-CG 3.35Å; C48-K52 PolarHBondContact O-N 2.99Å
49D97.8Very high95.4Very high77 Ų7770.8 Ų70.841%0.41235%0.347SS..Hα-helixtrans-68-43.1177.8-74.5-17.1000112.4I45 A46 I47 K52 H53I45-D49 WeakPolarHBondContact CG2-OD2 3.42Å; I45-D49 PolarHBondContact O-N 2.81Å; A46-D49 PolarHBondContact O-N 3.26Å; I47-D49 VanDerWaalsContact C-N 3.29Å; I47-D49 PolarHBondContact O-N 2.85Å; D49-K52 PolarHBondContact O-N 3.32Å; D49-K52 WeakPolarHBondContact OD1-CE 3.47Å; D49-K52 IonicContact OD1-NZ 3.95Å; D49-K52 PolarHBondContact OD1-NZ 2.88Å; D49-H53 PolarHBondContact O-N 3.2Å
50R97.8Very high95.4Very high111 Ų11172 Ų7242%0.41935%0.351SS..Hα-helixtrans-63.5-42.5174-74.8176.8-176.6-90.7-2.7112.2A46 I47 K52 H53 K54 E82A46-R50 WeakPolarHBondContact O-CB 3.49Å; A46-R50 WeakPolarHBondContact O-CG 3.48Å; A46-R50 PolarHBondContact O-N 3.44Å; I47-R50 PolarHBondContact O-N 3.42Å; R50-K52 PolarHBondContact O-N 3.38Å; R50-H53 WeakPolarHBondContact O-CB 3.46Å; R50-H53 PolarHBondContact O-N 3.22Å; R50-K54 WeakPolarHBondContact O-CG 3.42Å; R50-K54 PolarHBondContact O-N 3.12Å; R50-E82 WeakPolarHBondContact CD-OE2 3.46Å; R50-E82 IonicContact CZ-OE2 2.87Å; R50-E82 IonicContact NE-OE2 3.58Å; R50-E82 IonicContact NH1-OE2 2.76Å; R50-E82 PolarHBondContact NH1-OE2 2.63Å
51F98.1Very high95.1Very high0 Ų072.8 Ų72.80%036%0.355CS..Hα-helixtrans-59.2-48.6175.5169.4-100.8000111.1I28 I47 H53 K54 L55 H75 W76 S79 W102I28-F51 HydrophobicContact CD1-CD1 3.87Å; I28-F51 HydrophobicContact CD1-CE1 4.08Å; I47-F51 WeakPolarHBondContact O-CB 3.23Å; I47-F51 PolarHBondContact O-N 3.4Å; F51-H53 VanDerWaalsContact C-N 3.29Å; F51-H53 PolarHBondContact O-N 2.98Å; F51-K54 PolarHBondContact O-N 2.67Å; F51-L55 HydrophobicContact CE1-CD2 4.19Å; F51-L55 HydrophobicContact CZ-CD2 4.26Å; F51-L55 WeakPolarHBondContact O-CB 3.44Å; F51-L55 PolarHBondContact O-N 2.83Å; F51-H75 HydrophobicContact CD2-CB 3.85Å; F51-H75 HydrophobicContact CE2-CB 4.02Å; F51-W76 HydrophobicContact CB-CD2 4.23Å; F51-W76 HydrophobicContact CB-CE3 4.08Å; F51-W76 HydrophobicContact CB-CH2 4.09Å; F51-W76 HydrophobicContact CB-CZ2 4.26Å; F51-W76 HydrophobicContact CB-CZ3 4.01Å; F51-W76 HydrophobicContact CD1-CD2 4.46Å; F51-W76 AromaticContact CD1-CE2 3.71Å; F51-W76 AromaticContact CD1-CH2 3.76Å; F51-W76 HydrophobicContact CD1-CH2 3.76Å; F51-W76 AromaticContact CD1-CZ2 3.32Å; F51-W76 HydrophobicContact CD1-CZ2 3.32Å; F51-W76 AromaticContact CD2-CD1 3.64Å; F51-W76 AromaticContact CD2-CD2 3.69Å; F51-W76 HydrophobicContact CD2-CD2 3.69Å; F51-W76 AromaticContact CD2-CE2 3.47Å; F51-W76 VanDerWaalsContact CD2-CE2 3.47Å; F51-W76 HydrophobicContact CD2-CE3 4.39Å; F51-W76 AromaticContact CD2-CG 3.81Å; F51-W76 HydrophobicContact CD2-CG 3.81Å; F51-W76 HydrophobicContact CD2-CZ2 4.01Å; F51-W76 AromaticContact CD2-NE1 3.45Å; F51-W76 AromaticContact CE1-CE2 3.84Å; F51-W76 HydrophobicContact CE1-CH2 4.41Å; F51-W76 AromaticContact CE1-CZ2 3.56Å; F51-W76 HydrophobicContact CE1-CZ2 3.56Å; F51-W76 AromaticContact CE1-NE1 3.89Å; F51-W76 AromaticContact CE2-CD1 3.46Å; F51-W76 VanDerWaalsContact CE2-CD1 3.46Å; F51-W76 HydrophobicContact CE2-CD2 4.19Å; F51-W76 AromaticContact CE2-CE2 3.63Å; F51-W76 HydrophobicContact CE2-CG 4.11Å; F51-W76 HydrophobicContact CE2-CZ2 4.22Å; F51-W76 AromaticContact CE2-NE1 3.13Å; F51-W76 AromaticContact CG-CD2 3.84Å; F51-W76 HydrophobicContact CG-CD2 3.84Å; F51-W76 AromaticContact CG-CE2 3.52Å; F51-W76 HydrophobicContact CG-CE3 4.17Å; F51-W76 HydrophobicContact CG-CG 4.44Å; F51-W76 AromaticContact CG-CH2 3.89Å; F51-W76 HydrophobicContact CG-CH2 3.89Å; F51-W76 AromaticContact CG-CZ2 3.56Å; F51-W76 HydrophobicContact CG-CZ2 3.56Å; F51-W76 HydrophobicContact CG-CZ3 4.19Å; F51-W76 AromaticContact CG-NE1 3.96Å; F51-W76 AromaticContact CZ-CE2 3.8Å; F51-W76 HydrophobicContact CZ-CZ2 4.01Å; F51-W76 AromaticContact CZ-NE1 3.37Å; F51-S79 WeakPolarHBondContact CA-OG 3.4Å; F51-S79 PolarHBondContact N-OG 2.81Å; F51-S79 VanDerWaalsContact N-OG 3.17Å; F51-W102 HydrophobicContact CE1-CD2 4.19Å; F51-W102 AromaticContact CE1-CE2 3.96Å; F51-W102 HydrophobicContact CE1-CG 4.4Å; F51-W102 HydrophobicContact CE1-CZ2 4.35Å; F51-W102 HydrophobicContact CZ-CD2 4.11Å; F51-W102 HydrophobicContact CZ-CE3 4.25Å; F51-W102 HydrophobicContact CZ-CH2 4.41Å; F51-W102 HydrophobicContact CZ-CZ2 4.29Å; F51-W102 HydrophobicContact CZ-CZ3 4.4Å
52K97.6Very high94.6Very high95 Ų9572 Ų7241%0.41336%0.36SS..Hα-helixtrans-58.1-42176.2-75.3179.2-62.3178.50111.8I28 C48 D49 R50 L55 H56I28-K52 HydrophobicContact CD1-CG 4.19Å; I28-K52 HydrophobicContact CG1-CD 4.43Å; I28-K52 HydrophobicContact CG1-CG 4.43Å; C48-K52 WeakPolarHBondContact O-CE 3.32Å; C48-K52 WeakPolarHBondContact O-CG 3.35Å; C48-K52 PolarHBondContact O-N 2.99Å; D49-K52 PolarHBondContact O-N 3.32Å; D49-K52 WeakPolarHBondContact OD1-CE 3.47Å; D49-K52 IonicContact OD1-NZ 3.95Å; D49-K52 PolarHBondContact OD1-NZ 2.88Å; R50-K52 PolarHBondContact O-N 3.38Å; K52-L55 PolarHBondContact O-N 2.97Å; K52-H56 WeakPolarHBondContact O-CB 3.41Å; K52-H56 PolarHBondContact O-N 2.88Å
53H97.5Very high94.2Very high117 Ų11768.9 Ų68.954%0.54236%0.361SS..Hα-helixtrans-61.7-47.1176.7-178.4-78.3000111.7D49 R50 F51 H56 H57D49-H53 PolarHBondContact O-N 3.2Å; R50-H53 WeakPolarHBondContact O-CB 3.46Å; R50-H53 PolarHBondContact O-N 3.22Å; F51-H53 VanDerWaalsContact C-N 3.29Å; F51-H53 PolarHBondContact O-N 2.98Å; H53-H56 PolarHBondContact O-N 2.99Å; H53-H57 AromaticContact CD2-CE1 3.8Å; H53-H57 AromaticContact CE1-CE1 3.59Å; H53-H57 AromaticContact CE1-ND1 3.51Å; H53-H57 AromaticContact ND1-ND1 3.73Å; H53-H57 AromaticContact NE2-CE1 3.37Å; H53-H57 PolarHBondContact NE2-CE1 3.46Å; H53-H57 AromaticContact NE2-ND1 3.75Å; H53-H57 PolarHBondContact O-N 2.84Å; H53-H57 PolarHBondContact O-ND1 2.84Å
54K97.8Very high93.8Very high34 Ų3468.2 Ų68.215%0.14837%0.372CS..Hα-helixtrans-62.7-44177.5-67175.1-173.5-80.40111.2R50 F51 H56 H57 E58 H75 E78 E82R50-K54 WeakPolarHBondContact O-CG 3.42Å; R50-K54 PolarHBondContact O-N 3.12Å; F51-K54 PolarHBondContact O-N 2.67Å; K54-H56 VanDerWaalsContact C-N 3.3Å; K54-H56 PolarHBondContact O-N 2.93Å; K54-H57 CarbonylContact O-C 3.59Å; K54-H57 PolarHBondContact O-N 3.23Å; K54-H57 VanDerWaalsContact O-N 3.16Å; K54-E58 PolarHBondContact O-N 3.35Å; K54-H75 HydrophobicContact CB-CB 4.19Å; K54-H75 WeakPolarHBondContact CB-CD2 3.35Å; K54-H75 HydrophobicContact CD-CB 4.17Å; K54-E78 HydrophobicContact CD-CB 4.44Å; K54-E78 IonicContact NZ-OE2 2.82Å; K54-E78 PolarHBondContact NZ-OE2 2.75Å; K54-E82 WeakPolarHBondContact CE-OE1 3.37Å; K54-E82 IonicContact NZ-OE1 3.91Å; K54-E82 PolarHBondContact NZ-OE1 2.85Å; K54-E82 IonicContact NZ-OE2 3.72Å
55L96.1Very high93.5Very high48 Ų4871.7 Ų71.725%0.25141%0.407SS..Hα-helixtrans-59.9-39176.8-175.968.2000112.3F51 K52 H57 E58 W102F51-L55 HydrophobicContact CE1-CD2 4.19Å; F51-L55 HydrophobicContact CZ-CD2 4.26Å; F51-L55 WeakPolarHBondContact O-CB 3.44Å; F51-L55 PolarHBondContact O-N 2.83Å; K52-L55 PolarHBondContact O-N 2.97Å; L55-H57 VanDerWaalsContact C-N 3.28Å; L55-H57 PolarHBondContact O-N 2.94Å; L55-E58 VanDerWaalsContact O-CB 3.29Å; L55-E58 WeakPolarHBondContact O-CB 3.5Å; L55-E58 PolarHBondContact O-N 3.27Å; L55-W102 HydrophobicContact CD1-CH2 4.36Å; L55-W102 HydrophobicContact CD2-CH2 4.08Å; L55-W102 HydrophobicContact CD2-CZ2 3.66Å
56H93.9Very high93.4Very high159 Ų15973.4 Ų73.474%0.73641%0.41SS*.Hα-helixtrans-68.1-28.1178.7-172.570.9000113.3K52 H53 K54K52-H56 WeakPolarHBondContact O-CB 3.41Å; K52-H56 PolarHBondContact O-N 2.88Å; H53-H56 PolarHBondContact O-N 2.99Å; K54-H56 VanDerWaalsContact C-N 3.3Å; K54-H56 PolarHBondContact O-N 2.93Å
57H93.6Very high93.3Very high113 Ų11374.8 Ų74.852%0.52341%0.414SS..THydrogen-bonded Turntrans-10720178.9-57.486.5000111.9H53 K54 L55 T59H53-H57 AromaticContact CD2-CE1 3.8Å; H53-H57 AromaticContact CE1-CE1 3.59Å; H53-H57 AromaticContact CE1-ND1 3.51Å; H53-H57 AromaticContact ND1-ND1 3.73Å; H53-H57 AromaticContact NE2-CE1 3.37Å; H53-H57 PolarHBondContact NE2-CE1 3.46Å; H53-H57 AromaticContact NE2-ND1 3.75Å; H53-H57 PolarHBondContact O-N 2.84Å; H53-H57 PolarHBondContact O-ND1 2.84Å; K54-H57 CarbonylContact O-C 3.59Å; K54-H57 PolarHBondContact O-N 3.23Å; K54-H57 VanDerWaalsContact O-N 3.16Å; L55-H57 VanDerWaalsContact C-N 3.28Å; L55-H57 PolarHBondContact O-N 2.94Å; H57-T59 PolarHBondContact O-N 3.21Å
58E94.7Very high93.3Very high47 Ų4774.8 Ų74.822%0.2241%0.414CS..  trans-63.3127.6-177.2179.617976.700110K54 L55 R72K54-E58 PolarHBondContact O-N 3.35Å; L55-E58 VanDerWaalsContact O-CB 3.29Å; L55-E58 WeakPolarHBondContact O-CB 3.5Å; L55-E58 PolarHBondContact O-N 3.27Å; E58-R72 IonicContact OE1-CZ 2.7Å; E58-R72 IonicContact OE1-NE 3.89Å; E58-R72 PolarHBondContact OE1-NE 3.02Å; E58-R72 IonicContact OE1-NH2 2.67Å; E58-R72 PolarHBondContact OE1-NH2 2.87Å; E58-R72 WeakPolarHBondContact OE2-CG 3.33Å; E58-R72 IonicContact OE2-CZ 3.18Å; E58-R72 IonicContact OE2-NE 2.78Å; E58-R72 PolarHBondContact OE2-NE 2.84Å; E58-R72 IonicContact OE2-NH2 3.24Å
59T88.1Confident93.2Very high130 Ų13075.6 Ų75.680%0.79842%0.419SS*.  trans-116.3127165.858.50000108.2H57H57-T59 PolarHBondContact O-N 3.21Å
60F90.1Very high93.2Very high55 Ų5576.3 Ų76.324%0.24142%0.42CS..  trans-115.6124.6179.5-178.2-114.9000110.4P62 R66 I68 V71 E136F60-P62 HydrophobicContact CD1-CG 3.96Å; F60-P62 HydrophobicContact CE1-CB 4.1Å; F60-P62 HydrophobicContact CE1-CG 3.77Å; F60-R66 WeakPolarHBondContact CE2-O 3.43Å; F60-I68 HydrophobicContact CB-CD1 4.11Å; F60-I68 HydrophobicContact CD2-CD1 3.76Å; F60-I68 HydrophobicContact CE2-CB 4.23Å; F60-I68 HydrophobicContact CE2-CD1 4.32Å; F60-I68 HydrophobicContact CG-CD1 3.88Å; F60-I68 HydrophobicContact CZ-CB 4.31Å; F60-V71 HydrophobicContact CD2-CG2 4.04Å; F60-V71 HydrophobicContact CE2-CG2 4.14Å; F60-E136 HydrophobicContact CD1-CG 3.41Å; F60-E136 VanDerWaalsContact CD1-CG 3.41Å; F60-E136 HydrophobicContact CE1-CG 3.71Å; F60-E136 HydrophobicContact CG-CG 4.16Å
61D87.8Confident93.1Very high100 Ų10071.9 Ų71.954%0.53541%0.405SS..  trans-106.8105.6170.6177.211.4000109.2A63 G64D61-A63 PolarHBondContact O-N 3.49Å; D61-A63 VanDerWaalsContact O-N 3.16Å; D61-A63 WeakPolarHBondContact OD1-CB 3.44Å; D61-A63 PolarHBondContact OD1-N 3.16Å; D61-G64 PolarHBondContact O-N 2.87Å
62P81.7Confident93.1Very high99 Ų9972.7 Ų72.764%0.64341%0.408SS*.G310 helixtrans-59.1-24.1176.7-22.131.8000113.6F60 G64F60-P62 HydrophobicContact CD1-CG 3.96Å; F60-P62 HydrophobicContact CE1-CB 4.1Å; F60-P62 HydrophobicContact CE1-CG 3.77Å; P62-G64 VanDerWaalsContact C-N 3.31Å
63A87.2Confident93.2Very high90 Ų9069.9 Ų69.974%0.74440%0.397SS*.G310 helixtrans-81.8-10.1176.700000113D61 G65D61-A63 PolarHBondContact O-N 3.49Å; D61-A63 VanDerWaalsContact O-N 3.16Å; D61-A63 WeakPolarHBondContact OD1-CB 3.44Å; D61-A63 PolarHBondContact OD1-N 3.16Å; A63-G65 PolarHBondContact O-N 3.09Å; A63-G65 VanDerWaalsContact O-N 3.14Å
64G85.8Confident93.1Very high51 Ų5165.2 Ų65.253%0.52638%0.378SS..G310 helixtrans-71.8-0.6-17800000115.2D61 P62 R66D61-G64 PolarHBondContact O-N 2.87Å; P62-G64 VanDerWaalsContact C-N 3.31Å; G64-R66 VanDerWaalsContact C-N 3.27Å; G64-R66 PolarHBondContact O-N 2.94Å
65G90.3Very high93.1Very high73 Ų7364.8 Ų64.875%0.75338%0.376SS*.SBendtrans76.18174.500000115.2A63A63-G65 PolarHBondContact O-N 3.09Å; A63-G65 VanDerWaalsContact O-N 3.14Å
66R93.1Very high93.2Very high106 Ų10662.5 Ų62.540%0.436%0.364SS..  trans-113.9144.8174.5-63.2177.965-178.84.9110.3F60 G64 E70 V71 S74F60-R66 WeakPolarHBondContact CE2-O 3.43Å; G64-R66 VanDerWaalsContact C-N 3.27Å; G64-R66 PolarHBondContact O-N 2.94Å; R66-E70 WeakPolarHBondContact CA-OE2 3.35Å; R66-E70 HydrophobicContact CB-CB 4.47Å; R66-E70 VanDerWaalsContact NH2-C 3.31Å; R66-E70 PolarHBondContact NH2-O 2.98Å; R66-V71 HydrophobicContact CB-CG2 4.11Å; R66-S74 VanDerWaalsContact NH2-CB 3.32Å; R66-S74 PolarHBondContact NH2-OG 3.2Å
67T95.4Very high93.3Very high62 Ų6258.9 Ų58.938%0.3835%0.348SS..  trans-76158.2168.363.10000110.8D69 E70 V71T67-D69 PolarHBondContact O-N 3.32Å; T67-E70 PolarHBondContact N-OE2 3.03Å; T67-E70 PolarHBondContact O-N 3.05Å; T67-E70 VanDerWaalsContact OG1-CG 3.24Å; T67-E70 WeakPolarHBondContact OG1-CG 3.41Å; T67-E70 PolarHBondContact OG1-N 3.37Å; T67-E70 VanDerWaalsContact OG1-N 3.16Å; T67-E70 PolarHBondContact OG1-OE2 2.91Å; T67-V71 WeakPolarHBondContact O-CG2 3.47Å; T67-V71 PolarHBondContact O-N 3.46Å
68I96.6Very high93.4Very high0 Ų057.1 Ų57.10%034%0.339CS..Hα-helixtrans-62.4-31.2174.9-16858.9000111.8F60 V71 R72 E136 Q138F60-I68 HydrophobicContact CB-CD1 4.11Å; F60-I68 HydrophobicContact CD2-CD1 3.76Å; F60-I68 HydrophobicContact CE2-CB 4.23Å; F60-I68 HydrophobicContact CE2-CD1 4.32Å; F60-I68 HydrophobicContact CG-CD1 3.88Å; F60-I68 HydrophobicContact CZ-CB 4.31Å; I68-V71 PolarHBondContact O-N 3.05Å; I68-R72 WeakPolarHBondContact O-CB 3.43Å; I68-R72 WeakPolarHBondContact O-CG 3.31Å; I68-R72 PolarHBondContact O-N 2.71Å; I68-E136 HydrophobicContact CB-CG 4.18Å; I68-E136 HydrophobicContact CD1-CG 4.19Å; I68-E136 HydrophobicContact CG1-CG 4.06Å; I68-E136 WeakPolarHBondContact CG2-OE2 3.46Å; I68-Q138 HydrophobicContact CG2-CB 4.07Å; I68-Q138 HydrophobicContact CG2-CG 4.37Å
69D97.1Very high93.4Very high21 Ų2154.9 Ų54.911%0.11233%0.329CS..Hα-helixtrans-62.4-49.1174.5-73.922.9000110.3T67 V71 R72 I73 Y99 K103 Q138T67-D69 PolarHBondContact O-N 3.32Å; D69-V71 VanDerWaalsContact C-N 3.33Å; D69-V71 PolarHBondContact O-N 2.96Å; D69-R72 PolarHBondContact O-N 3.36Å; D69-I73 WeakPolarHBondContact O-CB 3.2Å; D69-I73 WeakPolarHBondContact O-CG1 3.41Å; D69-I73 PolarHBondContact O-N 3.24Å; D69-Y99 WeakPolarHBondContact CA-OH 3.45Å; D69-Y99 HydrophobicContact CB-CE1 3.86Å; D69-Y99 PolarHBondContact OD1-OH 3.25Å; D69-K103 IonicContact OD1-NZ 3.47Å; D69-K103 PolarHBondContact OD1-NZ 2.87Å; D69-K103 IonicContact OD2-NZ 2.84Å; D69-K103 PolarHBondContact OD2-NZ 2.86Å; D69-Q138 PolarHBondContact OD1-NE2 3.03Å
70E96.7Very high93.8Very high92 Ų9248.8 Ų48.843%0.4329%0.292SS..Hα-helixtrans-61.7-40.3176.7-72.8164.6144.200112.2R66 T67 I73 S74R66-E70 WeakPolarHBondContact CA-OE2 3.35Å; R66-E70 HydrophobicContact CB-CB 4.47Å; R66-E70 VanDerWaalsContact NH2-C 3.31Å; R66-E70 PolarHBondContact NH2-O 2.98Å; T67-E70 PolarHBondContact N-OE2 3.03Å; T67-E70 PolarHBondContact O-N 3.05Å; T67-E70 VanDerWaalsContact OG1-CG 3.24Å; T67-E70 WeakPolarHBondContact OG1-CG 3.41Å; T67-E70 PolarHBondContact OG1-N 3.37Å; T67-E70 VanDerWaalsContact OG1-N 3.16Å; T67-E70 PolarHBondContact OG1-OE2 2.91Å; E70-I73 PolarHBondContact O-N 2.89Å; E70-S74 PolarHBondContact O-N 3.16Å
71V97Very high93.9Very high17 Ų1749.3 Ų49.310%0.10330%0.295CS..Hα-helixtrans-59.9-49.7176.91700000110.5F60 R66 T67 I68 D69 S74 H75F60-V71 HydrophobicContact CD2-CG2 4.04Å; F60-V71 HydrophobicContact CE2-CG2 4.14Å; R66-V71 HydrophobicContact CB-CG2 4.11Å; T67-V71 WeakPolarHBondContact O-CG2 3.47Å; T67-V71 PolarHBondContact O-N 3.46Å; I68-V71 PolarHBondContact O-N 3.05Å; D69-V71 VanDerWaalsContact C-N 3.33Å; D69-V71 PolarHBondContact O-N 2.96Å; V71-S74 WeakPolarHBondContact O-CB 3.25Å; V71-S74 PolarHBondContact O-N 3.26Å; V71-S74 VanDerWaalsContact O-N 3.13Å; V71-H75 VanDerWaalsContact CG1-CE1 3.43Å; V71-H75 WeakPolarHBondContact CG1-CE1 3.42Å; V71-H75 PolarHBondContact O-N 2.76Å; V71-H75 PolarHBondContact O-ND1 3.27Å
72R97.9Very high94.2Very high18 Ų1848.6 Ų48.67%0.06829%0.288CS..Hα-helixtrans-73.1-27.6-178.4-70.8177.9177.7157.81.9113.5E58 I68 D69 S74 H75 W76 Y99 T139E58-R72 IonicContact OE1-CZ 2.7Å; E58-R72 IonicContact OE1-NE 3.89Å; E58-R72 PolarHBondContact OE1-NE 3.02Å; E58-R72 IonicContact OE1-NH2 2.67Å; E58-R72 PolarHBondContact OE1-NH2 2.87Å; E58-R72 WeakPolarHBondContact OE2-CG 3.33Å; E58-R72 IonicContact OE2-CZ 3.18Å; E58-R72 IonicContact OE2-NE 2.78Å; E58-R72 PolarHBondContact OE2-NE 2.84Å; E58-R72 IonicContact OE2-NH2 3.24Å; I68-R72 WeakPolarHBondContact O-CB 3.43Å; I68-R72 WeakPolarHBondContact O-CG 3.31Å; I68-R72 PolarHBondContact O-N 2.71Å; D69-R72 PolarHBondContact O-N 3.36Å; R72-S74 VanDerWaalsContact C-N 3.35Å; R72-H75 WeakPolarHBondContact O-CB 2.99Å; R72-H75 PolarHBondContact O-N 2.76Å; R72-W76 VanDerWaalsContact O-CD1 3.32Å; R72-W76 PolarHBondContact O-N 3.03Å; R72-Y99 HydrophobicContact CB-CD2 3.64Å; R72-Y99 HydrophobicContact CB-CE2 3.31Å; R72-Y99 HydrophobicContact CG-CE2 4.26Å; R72-T139 PolarHBondContact NH1-OG1 3.15Å
73I97.9Very high94.8Very high35 Ų3545.1 Ų45.118%0.17927%0.265CS..Hα-helixtrans-61.8-44.9166.8-70.9165.8000109.7D69 E70 H75 W76 E77 A95 Y99 Y100D69-I73 WeakPolarHBondContact O-CB 3.2Å; D69-I73 WeakPolarHBondContact O-CG1 3.41Å; D69-I73 PolarHBondContact O-N 3.24Å; E70-I73 PolarHBondContact O-N 2.89Å; I73-H75 VanDerWaalsContact C-N 3.28Å; I73-H75 PolarHBondContact O-N 3.44Å; I73-W76 WeakPolarHBondContact O-CB 3.29Å; I73-W76 PolarHBondContact O-N 2.98Å; I73-W76 VanDerWaalsContact O-N 3.14Å; I73-E77 PolarHBondContact O-N 2.75Å; I73-A95 HydrophobicContact CG2-CB 4.27Å; I73-Y99 HydrophobicContact CD1-CD1 3.92Å; I73-Y99 HydrophobicContact CD1-CE1 4.44Å; I73-Y99 HydrophobicContact CD1-CG 4.47Å; I73-Y99 HydrophobicContact CG1-CD1 3.49Å; I73-Y99 VanDerWaalsContact CG1-CD1 3.49Å; I73-Y99 HydrophobicContact CG1-CD2 4.36Å; I73-Y99 HydrophobicContact CG1-CE1 4.24Å; I73-Y99 HydrophobicContact CG1-CG 3.55Å; I73-Y100 HydrophobicContact CD1-CE2 4.4Å
74S96.2Very high94.9Very high20 Ų2044.2 Ų44.214%0.1425%0.246CC..Hα-helixtrans-64.4-31.2174.7-70.60000113.1R66 E70 V71 R72 W76 E77 E78R66-S74 VanDerWaalsContact NH2-CB 3.32Å; R66-S74 PolarHBondContact NH2-OG 3.2Å; E70-S74 PolarHBondContact O-N 3.16Å; V71-S74 WeakPolarHBondContact O-CB 3.25Å; V71-S74 PolarHBondContact O-N 3.26Å; V71-S74 VanDerWaalsContact O-N 3.13Å; R72-S74 VanDerWaalsContact C-N 3.35Å; S74-W76 VanDerWaalsContact C-N 3.29Å; S74-W76 PolarHBondContact O-N 3.03Å; S74-E77 PolarHBondContact O-N 2.8Å; S74-E78 WeakPolarHBondContact O-CB 3.18Å; S74-E78 VanDerWaalsContact O-CG 3.25Å; S74-E78 WeakPolarHBondContact O-CG 3.39Å; S74-E78 PolarHBondContact O-N 3.05Å
75H97.7Very high94.9Very high24 Ų2445 Ų4511%0.11125%0.254CS..Hα-helixtrans-60.7-41.2173.6-69.729.7000111.4F51 K54 V71 R72 I73 S79F51-H75 HydrophobicContact CD2-CB 3.85Å; F51-H75 HydrophobicContact CE2-CB 4.02Å; K54-H75 HydrophobicContact CB-CB 4.19Å; K54-H75 WeakPolarHBondContact CB-CD2 3.35Å; K54-H75 HydrophobicContact CD-CB 4.17Å; V71-H75 VanDerWaalsContact CG1-CE1 3.43Å; V71-H75 WeakPolarHBondContact CG1-CE1 3.42Å; V71-H75 PolarHBondContact O-N 2.76Å; V71-H75 PolarHBondContact O-ND1 3.27Å; R72-H75 WeakPolarHBondContact O-CB 2.99Å; R72-H75 PolarHBondContact O-N 2.76Å; I73-H75 VanDerWaalsContact C-N 3.28Å; I73-H75 PolarHBondContact O-N 3.44Å; H75-S79 VanDerWaalsContact O-CB 3.28Å; H75-S79 WeakPolarHBondContact O-CB 3.06Å; H75-S79 PolarHBondContact O-N 2.66Å; H75-S79 VanDerWaalsContact O-N 3.11Å; H75-S79 PolarHBondContact O-OG 3.3Å
76W97.7Very high94Very high0 Ų044.3 Ų44.30%025%0.247CC..Hα-helixtrans-66.1-46.5172.4-78.5105.8000111.9I28 V31 L35 I47 F51 R72 I73 S74 S79 I80 A95 C98 W102I28-W76 HydrophobicContact CD1-CH2 4.17Å; I28-W76 HydrophobicContact CD1-CZ2 4.25Å; V31-W76 HydrophobicContact CB-CH2 3.97Å; V31-W76 HydrophobicContact CB-CZ2 4.4Å; V31-W76 HydrophobicContact CG1-CE3 4.42Å; V31-W76 HydrophobicContact CG1-CH2 3.39Å; V31-W76 HydrophobicContact CG1-CZ2 4.02Å; V31-W76 HydrophobicContact CG1-CZ3 3.61Å; V31-W76 HydrophobicContact CG2-CH2 4.22Å; V31-W76 HydrophobicContact CG2-CZ2 4.14Å; L35-W76 HydrophobicContact CD1-CZ3 4.42Å; I47-W76 HydrophobicContact CG2-CE3 3.99Å; I47-W76 HydrophobicContact CG2-CZ3 3.92Å; F51-W76 HydrophobicContact CB-CD2 4.23Å; F51-W76 HydrophobicContact CB-CE3 4.08Å; F51-W76 HydrophobicContact CB-CH2 4.09Å; F51-W76 HydrophobicContact CB-CZ2 4.26Å; F51-W76 HydrophobicContact CB-CZ3 4.01Å; F51-W76 HydrophobicContact CD1-CD2 4.46Å; F51-W76 AromaticContact CD1-CE2 3.71Å; F51-W76 AromaticContact CD1-CH2 3.76Å; F51-W76 HydrophobicContact CD1-CH2 3.76Å; F51-W76 AromaticContact CD1-CZ2 3.32Å; F51-W76 HydrophobicContact CD1-CZ2 3.32Å; F51-W76 AromaticContact CD2-CD1 3.64Å; F51-W76 AromaticContact CD2-CD2 3.69Å; F51-W76 HydrophobicContact CD2-CD2 3.69Å; F51-W76 AromaticContact CD2-CE2 3.47Å; F51-W76 VanDerWaalsContact CD2-CE2 3.47Å; F51-W76 HydrophobicContact CD2-CE3 4.39Å; F51-W76 AromaticContact CD2-CG 3.81Å; F51-W76 HydrophobicContact CD2-CG 3.81Å; F51-W76 HydrophobicContact CD2-CZ2 4.01Å; F51-W76 AromaticContact CD2-NE1 3.45Å; F51-W76 AromaticContact CE1-CE2 3.84Å; F51-W76 HydrophobicContact CE1-CH2 4.41Å; F51-W76 AromaticContact CE1-CZ2 3.56Å; F51-W76 HydrophobicContact CE1-CZ2 3.56Å; F51-W76 AromaticContact CE1-NE1 3.89Å; F51-W76 AromaticContact CE2-CD1 3.46Å; F51-W76 VanDerWaalsContact CE2-CD1 3.46Å; F51-W76 HydrophobicContact CE2-CD2 4.19Å; F51-W76 AromaticContact CE2-CE2 3.63Å; F51-W76 HydrophobicContact CE2-CG 4.11Å; F51-W76 HydrophobicContact CE2-CZ2 4.22Å; F51-W76 AromaticContact CE2-NE1 3.13Å; F51-W76 AromaticContact CG-CD2 3.84Å; F51-W76 HydrophobicContact CG-CD2 3.84Å; F51-W76 AromaticContact CG-CE2 3.52Å; F51-W76 HydrophobicContact CG-CE3 4.17Å; F51-W76 HydrophobicContact CG-CG 4.44Å; F51-W76 AromaticContact CG-CH2 3.89Å; F51-W76 HydrophobicContact CG-CH2 3.89Å; F51-W76 AromaticContact CG-CZ2 3.56Å; F51-W76 HydrophobicContact CG-CZ2 3.56Å; F51-W76 HydrophobicContact CG-CZ3 4.19Å; F51-W76 AromaticContact CG-NE1 3.96Å; F51-W76 AromaticContact CZ-CE2 3.8Å; F51-W76 HydrophobicContact CZ-CZ2 4.01Å; F51-W76 AromaticContact CZ-NE1 3.37Å; R72-W76 VanDerWaalsContact O-CD1 3.32Å; R72-W76 PolarHBondContact O-N 3.03Å; I73-W76 WeakPolarHBondContact O-CB 3.29Å; I73-W76 PolarHBondContact O-N 2.98Å; I73-W76 VanDerWaalsContact O-N 3.14Å; S74-W76 VanDerWaalsContact C-N 3.29Å; S74-W76 PolarHBondContact O-N 3.03Å; W76-S79 PolarHBondContact O-N 2.82Å; W76-I80 WeakPolarHBondContact O-CD1 3.32Å; W76-I80 VanDerWaalsContact O-CG1 3.24Å; W76-I80 WeakPolarHBondContact O-CG1 3.02Å; W76-I80 PolarHBondContact O-N 3.37Å; W76-A95 HydrophobicContact CB-CB 4.06Å; W76-C98 HydrophobicContact CB-CB 4.48Å; W76-C98 HydrophobicContact CD2-CB 3.59Å; W76-C98 HydrophobicContact CE3-CB 3.7Å; W76-C98 HydrophobicContact CG-CB 3.95Å; W76-C98 HydrophobicContact CZ2-CB 4.48Å; W76-C98 HydrophobicContact CZ3-CB 4.21Å; W76-W102 HydrophobicContact CZ2-CB 4.22Å; W76-W102 HydrophobicContact CZ2-CG 4.43Å
77E96.1Very high92.6Very high84 Ų8442.8 Ų42.839%0.39325%0.253SS..Hα-helixtrans-57.9-51.2180-174.8177.1-162.100112I73 S74 S79 I80 Q81 A95I73-E77 PolarHBondContact O-N 2.75Å; S74-E77 PolarHBondContact O-N 2.8Å; E77-S79 VanDerWaalsContact C-N 3.33Å; E77-S79 PolarHBondContact O-N 2.84Å; E77-I80 PolarHBondContact O-N 2.82Å; E77-Q81 WeakPolarHBondContact O-CG 3.2Å; E77-Q81 PolarHBondContact O-N 2.91Å; E77-Q81 PolarHBondContact OE1-NE2 3.07Å; E77-A95 HydrophobicContact CB-CB 3.77Å
78E95.4Very high91.1Very high75 Ų7545.1 Ų45.135%0.3527%0.269SS..Hα-helixtrans-61-42.4176.8-70169-160.700111.3K54 S74 I80 Q81 E82K54-E78 HydrophobicContact CD-CB 4.44Å; K54-E78 IonicContact NZ-OE2 2.82Å; K54-E78 PolarHBondContact NZ-OE2 2.75Å; S74-E78 WeakPolarHBondContact O-CB 3.18Å; S74-E78 VanDerWaalsContact O-CG 3.25Å; S74-E78 WeakPolarHBondContact O-CG 3.39Å; S74-E78 PolarHBondContact O-N 3.05Å; E78-I80 VanDerWaalsContact C-N 3.32Å; E78-I80 PolarHBondContact O-N 2.84Å; E78-Q81 PolarHBondContact O-N 3.04Å; E78-E82 VanDerWaalsContact O-CB 3.27Å; E78-E82 WeakPolarHBondContact O-CB 3.42Å; E78-E82 WeakPolarHBondContact O-CG 3.12Å; E78-E82 PolarHBondContact O-N 3.13Å
79S96.5Very high89.8Confident0 Ų046.9 Ų46.90%028%0.281CS..Hα-helixtrans-62.8-39.5178.2-60.20000111.9F51 H75 W76 E77 V83F51-S79 WeakPolarHBondContact CA-OG 3.4Å; F51-S79 PolarHBondContact N-OG 2.81Å; F51-S79 VanDerWaalsContact N-OG 3.17Å; H75-S79 VanDerWaalsContact O-CB 3.28Å; H75-S79 WeakPolarHBondContact O-CB 3.06Å; H75-S79 PolarHBondContact O-N 2.66Å; H75-S79 VanDerWaalsContact O-N 3.11Å; H75-S79 PolarHBondContact O-OG 3.3Å; W76-S79 PolarHBondContact O-N 2.82Å; E77-S79 VanDerWaalsContact C-N 3.33Å; E77-S79 PolarHBondContact O-N 2.84Å; S79-V83 WeakPolarHBondContact O-CB 3.46Å; S79-V83 VanDerWaalsContact O-CG2 3.28Å; S79-V83 WeakPolarHBondContact O-CG2 3.37Å; S79-V83 PolarHBondContact O-N 3.14Å
80I94.7Very high88.7Confident3 Ų352.2 Ų52.22%0.01532%0.32CS..Hα-helixtrans-65.8-51.1174.6-67.4160.8000109.9I47 W76 E77 E78 E82 V83 M84 L94 A95I47-I80 HydrophobicContact CD1-CG1 4.13Å; I47-I80 HydrophobicContact CG1-CG1 4.45Å; I47-I80 HydrophobicContact CG2-CG1 3.83Å; W76-I80 WeakPolarHBondContact O-CD1 3.32Å; W76-I80 VanDerWaalsContact O-CG1 3.24Å; W76-I80 WeakPolarHBondContact O-CG1 3.02Å; W76-I80 PolarHBondContact O-N 3.37Å; E77-I80 PolarHBondContact O-N 2.82Å; E78-I80 VanDerWaalsContact C-N 3.32Å; E78-I80 PolarHBondContact O-N 2.84Å; I80-E82 PolarHBondContact O-N 3.42Å; I80-V83 PolarHBondContact O-N 3.1Å; I80-M84 HydrophobicContact CG2-CG 4.16Å; I80-M84 WeakPolarHBondContact O-CB 3.46Å; I80-M84 WeakPolarHBondContact O-CG 3.41Å; I80-M84 PolarHBondContact O-N 2.99Å; I80-L94 HydrophobicContact CD1-CD2 4.08Å; I80-L94 HydrophobicContact CD1-CG 4Å; I80-A95 HydrophobicContact CD1-CB 4.25Å
81Q93.6Very high88Confident66 Ų6650.3 Ų50.331%0.30831%0.313SS..Hα-helixtrans-61-44.6-178.3-72.2176.85.900112.3E77 E78 V83 M84 G85 G86E77-Q81 WeakPolarHBondContact O-CG 3.2Å; E77-Q81 PolarHBondContact O-N 2.91Å; E77-Q81 PolarHBondContact OE1-NE2 3.07Å; E78-Q81 PolarHBondContact O-N 3.04Å; Q81-V83 VanDerWaalsContact C-N 3.28Å; Q81-V83 PolarHBondContact O-N 3.36Å; Q81-M84 PolarHBondContact O-N 2.93Å; Q81-G85 PolarHBondContact O-N 3.4Å; Q81-G86 WeakPolarHBondContact O-CA 3.36Å; Q81-G86 PolarHBondContact O-N 2.88Å
82E94.1Very high87.4Confident85 Ų8555 Ų5540%0.39734%0.344SS..Hα-helixtrans-60.4-37178.8-74.9168.7-164.200112.3R50 K54 E78 I80R50-E82 WeakPolarHBondContact CD-OE2 3.46Å; R50-E82 IonicContact CZ-OE2 2.87Å; R50-E82 IonicContact NE-OE2 3.58Å; R50-E82 IonicContact NH1-OE2 2.76Å; R50-E82 PolarHBondContact NH1-OE2 2.63Å; K54-E82 WeakPolarHBondContact CE-OE1 3.37Å; K54-E82 IonicContact NZ-OE1 3.91Å; K54-E82 PolarHBondContact NZ-OE1 2.85Å; K54-E82 IonicContact NZ-OE2 3.72Å; E78-E82 VanDerWaalsContact O-CB 3.27Å; E78-E82 WeakPolarHBondContact O-CB 3.42Å; E78-E82 WeakPolarHBondContact O-CG 3.12Å; E78-E82 PolarHBondContact O-N 3.13Å; I80-E82 PolarHBondContact O-N 3.42Å
83V93.8Very high87.1Confident25 Ų2557.1 Ų57.115%0.15236%0.359CS..Hα-helixtrans-80.7-34.8-179.51700000111.7H43 A46 I47 S79 I80 Q81 G85H43-V83 HydrophobicContact CB-CG1 3.85Å; H43-V83 VanDerWaalsContact CD2-CG1 3.49Å; H43-V83 WeakPolarHBondContact CD2-CG1 3.34Å; A46-V83 HydrophobicContact CB-CG1 4.17Å; A46-V83 HydrophobicContact CB-CG2 3.82Å; I47-V83 HydrophobicContact CD1-CB 4.47Å; I47-V83 HydrophobicContact CD1-CG1 4.27Å; I47-V83 HydrophobicContact CG1-CB 3.77Å; I47-V83 HydrophobicContact CG1-CG1 3.86Å; I47-V83 HydrophobicContact CG1-CG2 3.86Å; S79-V83 WeakPolarHBondContact O-CB 3.46Å; S79-V83 VanDerWaalsContact O-CG2 3.28Å; S79-V83 WeakPolarHBondContact O-CG2 3.37Å; S79-V83 PolarHBondContact O-N 3.14Å; I80-V83 PolarHBondContact O-N 3.1Å; Q81-V83 VanDerWaalsContact C-N 3.28Å; Q81-V83 PolarHBondContact O-N 3.36Å; V83-G85 PolarHBondContact O-N 2.77Å
84M89.6Confident87Confident72 Ų7256.1 Ų56.136%0.35535%0.353SS..THydrogen-bonded Turntrans-85.113-179.7-60.1-57.4-6700113.8L39 I80 Q81L39-M84 HydrophobicContact CD2-CE 3.87Å; L39-M84 HydrophobicContact CD2-SD 3.9Å; I80-M84 HydrophobicContact CG2-CG 4.16Å; I80-M84 WeakPolarHBondContact O-CB 3.46Å; I80-M84 WeakPolarHBondContact O-CG 3.41Å; I80-M84 PolarHBondContact O-N 2.99Å; Q81-M84 PolarHBondContact O-N 2.93Å
85G85.2Confident87Confident67 Ų6755.5 Ų55.569%0.69135%0.35SS*.THydrogen-bonded Turntrans74.829.3176.500000114.6Q81 V83 S87Q81-G85 PolarHBondContact O-N 3.4Å; V83-G85 PolarHBondContact O-N 2.77Å; G85-S87 VanDerWaalsContact C-N 3.27Å; G85-S87 PolarHBondContact O-N 3.17Å
86G71.7Confident87Confident58 Ų5856 Ų5660%0.59836%0.356SS*.THydrogen-bonded Turntrans78.43175.200000115.1Q81Q81-G86 WeakPolarHBondContact O-CA 3.36Å; Q81-G86 PolarHBondContact O-N 2.88Å
87S64Low87Confident75 Ų7559.6 Ų59.652%0.52437%0.373SS..PPolyproline II helixtrans-78.8136.9171.2-65.10000110G85G85-S87 VanDerWaalsContact C-N 3.27Å; G85-S87 PolarHBondContact O-N 3.17Å
88P64.8Low87.1Confident110 Ų11055.6 Ų55.671%0.71435%0.354SS*.PPolyproline II helixtrans-54.3143172.1-23.232.4000110.7S90P88-S90 PolarHBondContact O-N 3.11Å
89S67.9Low87.2Confident37 Ų3752 Ų5226%0.25934%0.338SS..PPolyproline II helixtrans-58.4137.3172.254.70000109.5N91S89-N91 WeakPolarHBondContact CB-O 3.4Å; S89-N91 PolarHBondContact O-N 3.09Å; S89-N91 PolarHBondContact OG-O 3.03Å
90S74.6Confident87.3Confident133 Ų13357 Ų5793%0.9336%0.357SS*.SBendtrans-61.3-23.717349.50000112.1P88P88-S90 PolarHBondContact O-N 3.11Å
91N82Confident87.5Confident52 Ų5260.4 Ų60.428%0.27837%0.373SS..SBendtrans-101.7107.7168.9-179.25.8000110.4S89 T93 L94 E97S89-N91 WeakPolarHBondContact CB-O 3.4Å; S89-N91 PolarHBondContact O-N 3.09Å; S89-N91 PolarHBondContact OG-O 3.03Å; N91-T93 PolarHBondContact O-N 3.24Å; N91-T93 PolarHBondContact OD1-N 3.09Å; N91-T93 PolarHBondContact OD1-OG1 3.24Å; N91-L94 HydrophobicContact CB-CB 4.09Å; N91-L94 WeakPolarHBondContact O-CB 3.47Å; N91-L94 PolarHBondContact O-N 3.37Å; N91-E97 PolarHBondContact ND2-OE1 3.33Å; N91-E97 PolarHBondContact ND2-OE2 3.12Å
92P83.6Confident87.7Confident116 Ų11657.8 Ų57.875%0.75336%0.36SS*.THydrogen-bonded Turntrans-69.1-16.5-179.629.4-35.4000113.6
93T92.6Very high87.9Confident63 Ų6354.4 Ų54.439%0.38734%0.344SS..THydrogen-bonded Turntrans-94.8-6.5179.454.80000113.4N91 A95 S96 E97N91-T93 PolarHBondContact O-N 3.24Å; N91-T93 PolarHBondContact OD1-N 3.09Å; N91-T93 PolarHBondContact OD1-OG1 3.24Å; T93-A95 VanDerWaalsContact C-N 3.31Å; T93-A95 PolarHBondContact O-N 3.02Å; T93-S96 PolarHBondContact O-N 3.14Å; T93-S96 PolarHBondContact O-OG 2.83Å; T93-E97 WeakPolarHBondContact CB-OE1 3.31Å; T93-E97 WeakPolarHBondContact O-CG 3.43Å; T93-E97 PolarHBondContact O-N 2.95Å; T93-E97 PolarHBondContact OG1-OE1 2.74Å
94L94.5Very high88.1Confident13 Ų1356.9 Ų56.97%0.06836%0.356CS..Hα-helixtrans-56-41.7-172.6-175.461.2000113.4L35 I80 N91 E97 C98L35-L94 HydrophobicContact CD2-CD1 4.09Å; L35-L94 HydrophobicContact CD2-CD2 4.11Å; L35-L94 HydrophobicContact CD2-CG 4.26Å; I80-L94 HydrophobicContact CD1-CD2 4.08Å; I80-L94 HydrophobicContact CD1-CG 4Å; N91-L94 HydrophobicContact CB-CB 4.09Å; N91-L94 WeakPolarHBondContact O-CB 3.47Å; N91-L94 PolarHBondContact O-N 3.37Å; L94-E97 PolarHBondContact O-N 2.71Å; L94-C98 WeakPolarHBondContact O-CB 3.38Å; L94-C98 PolarHBondContact O-N 2.95Å; L94-C98 PolarHBondContact O-SG 3.42Å
95A96.6Very high88.5Confident8 Ų854.1 Ų54.17%0.06634%0.344CS..Hα-helixtrans-62.8-44.1178.400000111.8I73 W76 E77 I80 T93 C98 Y99I73-A95 HydrophobicContact CG2-CB 4.27Å; W76-A95 HydrophobicContact CB-CB 4.06Å; E77-A95 HydrophobicContact CB-CB 3.77Å; I80-A95 HydrophobicContact CD1-CB 4.25Å; T93-A95 VanDerWaalsContact C-N 3.31Å; T93-A95 PolarHBondContact O-N 3.02Å; A95-C98 PolarHBondContact O-N 3.42Å; A95-Y99 WeakPolarHBondContact O-CB 3.44Å; A95-Y99 PolarHBondContact O-N 3.34Å
96S97.6Very high89.1Confident35 Ų3552.1 Ų52.125%0.24532%0.315CS..Hα-helixtrans-67.1-38176.166.40000112.6T93 Y99 Y100T93-S96 PolarHBondContact O-N 3.14Å; T93-S96 PolarHBondContact O-OG 2.83Å; S96-Y99 PolarHBondContact O-N 3.33Å; S96-Y100 WeakPolarHBondContact O-CD2 3.34Å; S96-Y100 PolarHBondContact O-N 2.94Å
97E97.6Very high90.3Very high74 Ų7450.9 Ų50.935%0.34630%0.295SS..Hα-helixtrans-63.2-45.9175.2-70.6166.6-158.500111.1L34 N91 T93 L94 Y99 Y100 Q101L34-E97 HydrophobicContact CD2-CB 4.18Å; N91-E97 PolarHBondContact ND2-OE1 3.33Å; N91-E97 PolarHBondContact ND2-OE2 3.12Å; T93-E97 WeakPolarHBondContact CB-OE1 3.31Å; T93-E97 WeakPolarHBondContact O-CG 3.43Å; T93-E97 PolarHBondContact O-N 2.95Å; T93-E97 PolarHBondContact OG1-OE1 2.74Å; L94-E97 PolarHBondContact O-N 2.71Å; E97-Y99 VanDerWaalsContact C-N 3.34Å; E97-Y99 PolarHBondContact O-N 3.04Å; E97-Y100 PolarHBondContact O-N 3.16Å; E97-Q101 WeakPolarHBondContact O-CB 3.3Å; E97-Q101 PolarHBondContact O-N 2.95Å
98C97.9Very high91.8Very high0 Ų054.8 Ų54.80%031%0.305CS..Hα-helixtrans-59.9-45.5174.7-67.50000111.3V31 W76 L94 A95 W102V31-C98 HydrophobicContact CG1-CB 3.78Å; V31-C98 VanDerWaalsContact CG2-O 3.3Å; V31-C98 WeakPolarHBondContact CG2-O 3.43Å; W76-C98 HydrophobicContact CB-CB 4.48Å; W76-C98 HydrophobicContact CD2-CB 3.59Å; W76-C98 HydrophobicContact CE3-CB 3.7Å; W76-C98 HydrophobicContact CG-CB 3.95Å; W76-C98 HydrophobicContact CZ2-CB 4.48Å; W76-C98 HydrophobicContact CZ3-CB 4.21Å; L94-C98 WeakPolarHBondContact O-CB 3.38Å; L94-C98 PolarHBondContact O-N 2.95Å; L94-C98 PolarHBondContact O-SG 3.42Å; A95-C98 PolarHBondContact O-N 3.42Å; C98-W102 VanDerWaalsContact O-CB 3.31Å; C98-W102 WeakPolarHBondContact O-CB 3.42Å; C98-W102 PolarHBondContact O-N 3.15Å
99Y98.5Very high93.4Very high1 Ų153.5 Ų53.50%0.00429%0.291CS..Hα-helixtrans-60.2-52.9178.6174.4-106.2000112.4D69 R72 I73 A95 S96 E97 W102 K103D69-Y99 WeakPolarHBondContact CA-OH 3.45Å; D69-Y99 HydrophobicContact CB-CE1 3.86Å; D69-Y99 PolarHBondContact OD1-OH 3.25Å; R72-Y99 HydrophobicContact CB-CD2 3.64Å; R72-Y99 HydrophobicContact CB-CE2 3.31Å; R72-Y99 HydrophobicContact CG-CE2 4.26Å; I73-Y99 HydrophobicContact CD1-CD1 3.92Å; I73-Y99 HydrophobicContact CD1-CE1 4.44Å; I73-Y99 HydrophobicContact CD1-CG 4.47Å; I73-Y99 HydrophobicContact CG1-CD1 3.49Å; I73-Y99 VanDerWaalsContact CG1-CD1 3.49Å; I73-Y99 HydrophobicContact CG1-CD2 4.36Å; I73-Y99 HydrophobicContact CG1-CE1 4.24Å; I73-Y99 HydrophobicContact CG1-CG 3.55Å; A95-Y99 WeakPolarHBondContact O-CB 3.44Å; A95-Y99 PolarHBondContact O-N 3.34Å; S96-Y99 PolarHBondContact O-N 3.33Å; E97-Y99 VanDerWaalsContact C-N 3.34Å; E97-Y99 PolarHBondContact O-N 3.04Å; Y99-W102 HydrophobicContact CD2-CE3 4.25Å; Y99-W102 HydrophobicContact CE2-CE3 4.19Å; Y99-W102 HydrophobicContact CE2-CZ3 4.06Å; Y99-W102 PolarHBondContact O-N 3.32Å; Y99-K103 HydrophobicContact CE1-CD 3.89Å; Y99-K103 WeakPolarHBondContact O-CB 3.4Å; Y99-K103 PolarHBondContact O-N 3.16Å; Y99-K103 WeakPolarHBondContact OH-CD 3.39Å
100Y98.4Very high94.8Very high103 Ų10352.3 Ų52.340%0.40428%0.282SS..Hα-helixtrans-70.4-34.4-178.1-72.9-61.4000112.3I73 S96 E97 W102 K103 N104I73-Y100 HydrophobicContact CD1-CE2 4.4Å; S96-Y100 WeakPolarHBondContact O-CD2 3.34Å; S96-Y100 PolarHBondContact O-N 2.94Å; E97-Y100 PolarHBondContact O-N 3.16Å; Y100-W102 VanDerWaalsContact C-N 3.33Å; Y100-W102 PolarHBondContact O-N 3.01Å; Y100-K103 HydrophobicContact CD1-CD 4.47Å; Y100-K103 PolarHBondContact O-N 3.28Å; Y100-N104 VanDerWaalsContact O-CB 3.23Å; Y100-N104 WeakPolarHBondContact O-CB 3.35Å; Y100-N104 PolarHBondContact O-N 2.85Å; Y100-N104 PolarHBondContact O-ND2 2.74Å
101Q98.4Very high95.9Very high75 Ų7550 Ų5035%0.3526%0.262SS..Hα-helixtrans-59.5-46.9170.7-1776543.300110.4K30 V31 L34 E97 T105K30-Q101 HydrophobicContact CB-CG 4.16Å; V31-Q101 HydrophobicContact CG2-CB 4.11Å; V31-Q101 HydrophobicContact CG2-CG 4.09Å; L34-Q101 HydrophobicContact CD2-CB 4.3Å; E97-Q101 WeakPolarHBondContact O-CB 3.3Å; E97-Q101 PolarHBondContact O-N 2.95Å; Q101-T105 PolarHBondContact NE2-OG1 3.21Å; Q101-T105 VanDerWaalsContact NE2-OG1 3.09Å; Q101-T105 WeakPolarHBondContact O-CB 3.47Å; Q101-T105 PolarHBondContact O-N 3.32Å; Q101-T105 VanDerWaalsContact O-N 3.13Å; Q101-T105 PolarHBondContact O-OG1 2.98Å
102W98.5Very high96.7Very high11 Ų1148.5 Ų48.54%0.04225%0.254CS..Hα-helixtrans-63-51.3176.9172.881.9000112.1A27 V31 F51 L55 W76 C98 Y99 Y100 R106A27-W102 HydrophobicContact CB-CG 4.23Å; A27-W102 WeakPolarHBondContact CB-O 3.43Å; V31-W102 HydrophobicContact CG2-CB 3.75Å; F51-W102 HydrophobicContact CE1-CD2 4.19Å; F51-W102 AromaticContact CE1-CE2 3.96Å; F51-W102 HydrophobicContact CE1-CG 4.4Å; F51-W102 HydrophobicContact CE1-CZ2 4.35Å; F51-W102 HydrophobicContact CZ-CD2 4.11Å; F51-W102 HydrophobicContact CZ-CE3 4.25Å; F51-W102 HydrophobicContact CZ-CH2 4.41Å; F51-W102 HydrophobicContact CZ-CZ2 4.29Å; F51-W102 HydrophobicContact CZ-CZ3 4.4Å; L55-W102 HydrophobicContact CD1-CH2 4.36Å; L55-W102 HydrophobicContact CD2-CH2 4.08Å; L55-W102 HydrophobicContact CD2-CZ2 3.66Å; W76-W102 HydrophobicContact CZ2-CB 4.22Å; W76-W102 HydrophobicContact CZ2-CG 4.43Å; C98-W102 VanDerWaalsContact O-CB 3.31Å; C98-W102 WeakPolarHBondContact O-CB 3.42Å; C98-W102 PolarHBondContact O-N 3.15Å; Y99-W102 HydrophobicContact CD2-CE3 4.25Å; Y99-W102 HydrophobicContact CE2-CE3 4.19Å; Y99-W102 HydrophobicContact CE2-CZ3 4.06Å; Y99-W102 PolarHBondContact O-N 3.32Å; Y100-W102 VanDerWaalsContact C-N 3.33Å; Y100-W102 PolarHBondContact O-N 3.01Å; W102-R106 WeakPolarHBondContact O-CG 3.45Å; W102-R106 PolarHBondContact O-N 3.37Å; W102-R106 VanDerWaalsContact O-N 3.1Å
103K98.3Very high97.3Very high14 Ų1445.8 Ų45.86%0.06124%0.236CC..Hα-helixtrans-61.6-47.2-177.5-178.4-175.5-173.71610112.5D69 Y99 Y100 R106 L107 E142D69-K103 IonicContact OD1-NZ 3.47Å; D69-K103 PolarHBondContact OD1-NZ 2.87Å; D69-K103 IonicContact OD2-NZ 2.84Å; D69-K103 PolarHBondContact OD2-NZ 2.86Å; Y99-K103 HydrophobicContact CE1-CD 3.89Å; Y99-K103 WeakPolarHBondContact O-CB 3.4Å; Y99-K103 PolarHBondContact O-N 3.16Å; Y99-K103 WeakPolarHBondContact OH-CD 3.39Å; Y100-K103 HydrophobicContact CD1-CD 4.47Å; Y100-K103 PolarHBondContact O-N 3.28Å; K103-R106 WeakPolarHBondContact O-CG 3.39Å; K103-L107 HydrophobicContact CG-CD1 4.12Å; K103-L107 WeakPolarHBondContact O-CG 3.11Å; K103-L107 PolarHBondContact O-N 3.43Å; K103-E142 VanDerWaalsContact CE-CD 3.48Å; K103-E142 WeakPolarHBondContact CE-OE1 3.46Å; K103-E142 WeakPolarHBondContact CE-OE2 3.47Å; K103-E142 IonicContact NZ-OE1 3.44Å; K103-E142 PolarHBondContact NZ-OE1 3.43Å; K103-E142 IonicContact NZ-OE2 2.76Å; K103-E142 PolarHBondContact NZ-OE2 3.37Å
104N98.1Very high97.6Very high77 Ų7747.4 Ų47.441%0.41225%0.247SC..Hα-helixtrans-72.1-44.7-176.6-63.5-15000110.5Y100 R106 L107 E108Y100-N104 VanDerWaalsContact O-CB 3.23Å; Y100-N104 WeakPolarHBondContact O-CB 3.35Å; Y100-N104 PolarHBondContact O-N 2.85Å; Y100-N104 PolarHBondContact O-ND2 2.74Å; N104-R106 VanDerWaalsContact C-N 3.3Å; N104-R106 PolarHBondContact O-N 2.75Å; N104-L107 PolarHBondContact O-N 2.85Å; N104-L107 VanDerWaalsContact O-N 3.16Å; N104-E108 WeakPolarHBondContact O-CB 3.22Å; N104-E108 WeakPolarHBondContact O-CG 3.34Å; N104-E108 PolarHBondContact O-N 3.32Å
105T98Very high97.8Very high14 Ų1450.1 Ų50.19%0.08627%0.266CS..Hα-helixtrans-56.3-45.6177.8-56.60000111.2V26 A27 K30 Q101 L109V26-T105 HydrophobicContact CG1-CG2 4.26Å; A27-T105 HydrophobicContact CB-CG2 4.1Å; K30-T105 HydrophobicContact CB-CG2 4.41Å; K30-T105 HydrophobicContact CG-CG2 3.89Å; Q101-T105 PolarHBondContact NE2-OG1 3.21Å; Q101-T105 VanDerWaalsContact NE2-OG1 3.09Å; Q101-T105 WeakPolarHBondContact O-CB 3.47Å; Q101-T105 PolarHBondContact O-N 3.32Å; Q101-T105 VanDerWaalsContact O-N 3.13Å; Q101-T105 PolarHBondContact O-OG1 2.98Å; T105-L109 HydrophobicContact CG2-CD1 3.89Å; T105-L109 WeakPolarHBondContact O-CD1 3.28Å; T105-L109 VanDerWaalsContact O-CG 3.22Å; T105-L109 WeakPolarHBondContact O-CG 3.5Å; T105-L109 PolarHBondContact O-N 3.45Å
106R96.6Very high97.9Very high25 Ų2550.1 Ų50.19%0.09427%0.265CS..Hα-helixtrans-63.9-47.2178.764.8-177.5-66-144.55.9111.3A23 A27 W102 K103 N104 E108 L109 L110A23-R106 HydrophobicContact CB-CB 4.43Å; A27-R106 HydrophobicContact CB-CB 4.12Å; W102-R106 WeakPolarHBondContact O-CG 3.45Å; W102-R106 PolarHBondContact O-N 3.37Å; W102-R106 VanDerWaalsContact O-N 3.1Å; K103-R106 WeakPolarHBondContact O-CG 3.39Å; N104-R106 VanDerWaalsContact C-N 3.3Å; N104-R106 PolarHBondContact O-N 2.75Å; R106-E108 VanDerWaalsContact C-N 3.33Å; R106-E108 PolarHBondContact O-N 2.91Å; R106-L109 PolarHBondContact O-N 2.55Å; R106-L110 WeakPolarHBondContact O-CG 3.31Å; R106-L110 PolarHBondContact O-N 2.97Å
107L97.3Very high97.9Very high32 Ų3251.1 Ų51.117%0.16827%0.267CS..Hα-helixtrans-64.6-37.4-176.3-73.2174.3000112K103 N104 L109 L110 E142 K143 A146K103-L107 HydrophobicContact CG-CD1 4.12Å; K103-L107 WeakPolarHBondContact O-CG 3.11Å; K103-L107 PolarHBondContact O-N 3.43Å; N104-L107 PolarHBondContact O-N 2.85Å; N104-L107 VanDerWaalsContact O-N 3.16Å; L107-L109 VanDerWaalsContact C-N 3.29Å; L107-L109 PolarHBondContact O-N 3.28Å; L107-L110 HydrophobicContact CD2-CD1 4.27Å; L107-L110 PolarHBondContact O-N 2.93Å; L107-E142 HydrophobicContact CD1-CB 4.46Å; L107-E142 HydrophobicContact CD2-CB 4.46Å; L107-K143 HydrophobicContact CD2-CG 4.06Å; L107-A146 HydrophobicContact CD2-CB 4.39Å
108E97Very high98Very high157 Ų15751.8 Ų51.873%0.73428%0.277SS*.Hα-helixtrans-65.9-29.7176.5-73.6172.7-171.300113.2N104 R106N104-E108 WeakPolarHBondContact O-CB 3.22Å; N104-E108 WeakPolarHBondContact O-CG 3.34Å; N104-E108 PolarHBondContact O-N 3.32Å; R106-E108 VanDerWaalsContact C-N 3.33Å; R106-E108 PolarHBondContact O-N 2.91Å
109L97.1Very high98Very high83 Ų8352.3 Ų52.344%0.43528%0.279SS..Hα-helixtrans-86-22.1-179.2-69172.1000113.4A23 V26 T105 R106 L107 T111A23-L109 HydrophobicContact CB-CB 3.92Å; V26-L109 HydrophobicContact CB-CD1 3.6Å; V26-L109 HydrophobicContact CG1-CD1 3.56Å; V26-L109 HydrophobicContact CG2-CD1 4.25Å; T105-L109 HydrophobicContact CG2-CD1 3.89Å; T105-L109 WeakPolarHBondContact O-CD1 3.28Å; T105-L109 VanDerWaalsContact O-CG 3.22Å; T105-L109 WeakPolarHBondContact O-CG 3.5Å; T105-L109 PolarHBondContact O-N 3.45Å; R106-L109 PolarHBondContact O-N 2.55Å; L107-L109 VanDerWaalsContact C-N 3.29Å; L107-L109 PolarHBondContact O-N 3.28Å; L109-T111 PolarHBondContact O-N 3.45Å
110L97.8Very high98Very high12 Ų1252.3 Ų52.36%0.06328%0.279CS..  trans-65.5128.9178.8-67.8178.7000110.1I18 A23 R106 L107 K143 L147I18-L110 HydrophobicContact CB-CD2 4.38Å; I18-L110 HydrophobicContact CD1-CD1 4Å; I18-L110 HydrophobicContact CD1-CD2 3.86Å; I18-L110 HydrophobicContact CD1-CG 4.32Å; I18-L110 HydrophobicContact CG1-CD2 4.2Å; A23-L110 HydrophobicContact CB-CD2 3.88Å; A23-L110 HydrophobicContact CB-CG 4.49Å; R106-L110 WeakPolarHBondContact O-CG 3.31Å; R106-L110 PolarHBondContact O-N 2.97Å; L107-L110 HydrophobicContact CD2-CD1 4.27Å; L107-L110 PolarHBondContact O-N 2.93Å; L110-K143 HydrophobicContact CD1-CB 4.29Å; L110-K143 HydrophobicContact CD1-CD 4.17Å; L110-K143 HydrophobicContact CD1-CG 3.72Å; L110-L147 HydrophobicContact CB-CD2 3.96Å; L110-L147 WeakPolarHBondContact O-CD2 3.38Å
111T97.5Very high98Very high84 Ų8453.4 Ų53.452%0.51529%0.286SS..  trans-149.1141179.3-171.40000111.3L109L109-T111 PolarHBondContact O-N 3.45Å
112I97.9Very high98Very high22 Ų2255.5 Ų55.511%0.11330%0.296CS..  trans-84113.7161.8-64.5-172.5000106.8I18 V116 L117 L120 L147 C149 L152I18-I112 HydrophobicContact CG2-CG1 3.99Å; I112-V116 HydrophobicContact CG2-CB 3.95Å; I112-V116 HydrophobicContact CG2-CG1 3.77Å; I112-L117 HydrophobicContact CG2-CB 4.04Å; I112-L120 HydrophobicContact CD1-CD1 4.4Å; I112-L147 HydrophobicContact CG1-CD2 4.29Å; I112-C149 HydrophobicContact CD1-CB 3.38Å; I112-L152 HydrophobicContact CD1-CD1 3.85Å
113T97.8Very high98Very high58 Ų5855.5 Ų55.536%0.35630%0.296SS..  trans-62.7150.7-17869.70000111.2P115 V116 L117T113-P115 VanDerWaalsContact C-CD 3.47Å; T113-P115 VanDerWaalsContact C-N 3.31Å; T113-V116 PolarHBondContact O-N 3.4Å; T113-V116 VanDerWaalsContact OG1-CG2 3.27Å; T113-V116 WeakPolarHBondContact OG1-CG2 3.2Å; T113-V116 PolarHBondContact OG1-N 3.06Å; T113-L117 PolarHBondContact O-N 2.88Å
114P98.4Very high97.9Very high97 Ų9759 Ų5963%0.6331%0.309SS*.Hα-helixtrans-53.8-37.9178.8-2532.7000114.9T118P114-T118 WeakPolarHBondContact O-CB 3.42Å; P114-T118 PolarHBondContact O-N 2.97Å; P114-T118 PolarHBondContact O-OG1 3.09Å
115P98.5Very high97.9Very high70 Ų7060.9 Ų60.946%0.45532%0.324SS..Hα-helixtrans-61.8-45.3172.2-25.936.8000113.6T113 T118 L119 L233T113-P115 VanDerWaalsContact C-CD 3.47Å; T113-P115 VanDerWaalsContact C-N 3.31Å; P115-T118 WeakPolarHBondContact O-CB 3.44Å; P115-T118 PolarHBondContact O-N 3.35Å; P115-L119 PolarHBondContact O-N 3.31Å; P115-L233 HydrophobicContact CB-CD1 3.99Å; P115-L233 HydrophobicContact CB-CD2 3.94Å
116V98.5Very high97.7Very high9 Ų964 Ų646%0.05535%0.347CS..Hα-helixtrans-65-42178.2175.60000110.5L17 I112 T113 T118 L119 L120 V232 L233L17-V116 HydrophobicContact CD2-CG1 3.84Å; I112-V116 HydrophobicContact CG2-CB 3.95Å; I112-V116 HydrophobicContact CG2-CG1 3.77Å; T113-V116 PolarHBondContact O-N 3.4Å; T113-V116 VanDerWaalsContact OG1-CG2 3.27Å; T113-V116 WeakPolarHBondContact OG1-CG2 3.2Å; T113-V116 PolarHBondContact OG1-N 3.06Å; V116-T118 VanDerWaalsContact C-N 3.29Å; V116-T118 PolarHBondContact O-N 2.89Å; V116-L119 WeakPolarHBondContact O-CB 3.49Å; V116-L119 PolarHBondContact O-N 2.76Å; V116-L120 HydrophobicContact CG1-CD1 4.08Å; V116-L120 HydrophobicContact CG1-CG 4.29Å; V116-L120 WeakPolarHBondContact O-CG 3.28Å; V116-L120 PolarHBondContact O-N 3.23Å; V116-V232 HydrophobicContact CG1-CG1 4.45Å; V116-V232 HydrophobicContact CG2-CG1 3.98Å; V116-L233 HydrophobicContact CG2-CD2 4.01Å
117L98.6Very high97.8Very high56 Ų5664.3 Ų64.329%0.29335%0.349SS..Hα-helixtrans-58.2-42.9174.8178.862.7000111.9I112 T113 K121 L152I112-L117 HydrophobicContact CG2-CB 4.04Å; T113-L117 PolarHBondContact O-N 2.88Å; L117-K121 HydrophobicContact CG-CD 4.47Å; L117-K121 WeakPolarHBondContact O-CG 3.41Å; L117-K121 PolarHBondContact O-N 2.95Å; L117-K121 VanDerWaalsContact O-N 3.09Å; L117-L152 HydrophobicContact CD1-CD1 3.59Å; L117-L152 HydrophobicContact CD1-CD2 3.5Å; L117-L152 HydrophobicContact CD1-CG 4.19Å
118T98.6Very high97.8Very high88 Ų8866.8 Ų66.854%0.5436%0.358SS..Hα-helixtrans-64.4-44.8177.7-58.80000110.9P114 P115 V116 K121 Q122P114-T118 WeakPolarHBondContact O-CB 3.42Å; P114-T118 PolarHBondContact O-N 2.97Å; P114-T118 PolarHBondContact O-OG1 3.09Å; P115-T118 WeakPolarHBondContact O-CB 3.44Å; P115-T118 PolarHBondContact O-N 3.35Å; V116-T118 VanDerWaalsContact C-N 3.29Å; V116-T118 PolarHBondContact O-N 2.89Å; T118-K121 PolarHBondContact O-N 3.29Å; T118-Q122 WeakPolarHBondContact O-CB 3.26Å; T118-Q122 PolarHBondContact O-N 3.41Å
119L98.6Very high97.9Very high10 Ų1059.3 Ų59.35%0.05232%0.323CS..Hα-helixtrans-57.8-52.3175.1173.569000111.6P115 V116 K121 Q122 L123 V232 L233 P236P115-L119 PolarHBondContact O-N 3.31Å; V116-L119 WeakPolarHBondContact O-CB 3.49Å; V116-L119 PolarHBondContact O-N 2.76Å; L119-K121 VanDerWaalsContact C-N 3.3Å; L119-K121 PolarHBondContact O-N 2.75Å; L119-Q122 WeakPolarHBondContact O-CB 3.29Å; L119-Q122 PolarHBondContact O-N 3.4Å; L119-L123 HydrophobicContact CD1-CD1 3.89Å; L119-L123 HydrophobicContact CD1-CD2 4.36Å; L119-L123 HydrophobicContact CD1-CG 3.91Å; L119-L123 HydrophobicContact CD2-CD1 4.39Å; L119-L123 HydrophobicContact CG-CD1 3.85Å; L119-L123 HydrophobicContact CG-CG 4.23Å; L119-L123 WeakPolarHBondContact O-CG 3.46Å; L119-L123 PolarHBondContact O-N 2.8Å; L119-V232 HydrophobicContact CD2-CG1 4.46Å; L119-V232 HydrophobicContact CD2-CG2 4.18Å; L119-V232 WeakPolarHBondContact CD2-O 3.33Å; L119-L233 HydrophobicContact CB-CD2 4.37Å; L119-L233 HydrophobicContact CD2-CD2 4.22Å; L119-P236 HydrophobicContact CD1-CG 3.53Å
120L98.6Very high98Very high1 Ų155.3 Ų55.31%0.00530%0.302CS..Hα-helixtrans-58.7-43.3-178.7-68.2174.6000111.2L11 L17 I112 V116 Q122 L123 R124 L129 L152 F153L11-L120 HydrophobicContact CD1-CD2 3.62Å; L17-L120 HydrophobicContact CD2-CD2 4.36Å; I112-L120 HydrophobicContact CD1-CD1 4.4Å; V116-L120 HydrophobicContact CG1-CD1 4.08Å; V116-L120 HydrophobicContact CG1-CG 4.29Å; V116-L120 WeakPolarHBondContact O-CG 3.28Å; V116-L120 PolarHBondContact O-N 3.23Å; L120-Q122 VanDerWaalsContact C-N 3.34Å; L120-Q122 PolarHBondContact O-N 3.04Å; L120-L123 PolarHBondContact O-N 2.72Å; L120-R124 WeakPolarHBondContact O-CB 3.46Å; L120-R124 PolarHBondContact O-N 2.76Å; L120-L129 HydrophobicContact CB-CD1 4.38Å; L120-L129 HydrophobicContact CD2-CD1 4.17Å; L120-L129 VanDerWaalsContact O-CD1 3.3Å; L120-L129 WeakPolarHBondContact O-CD1 3.39Å; L120-L152 HydrophobicContact CD1-CD1 3.88Å; L120-F153 HydrophobicContact CD1-CZ 4.21Å; L120-F153 HydrophobicContact CD2-CE1 4.41Å
121K98.4Very high98.1Very high126 Ų12654.8 Ų54.855%0.54830%0.299SS..Hα-helixtrans-60.7-42.4174.6-74.6177.3178.4179.20112.2L117 T118 L119 T125 L152L117-K121 HydrophobicContact CG-CD 4.47Å; L117-K121 WeakPolarHBondContact O-CG 3.41Å; L117-K121 PolarHBondContact O-N 2.95Å; L117-K121 VanDerWaalsContact O-N 3.09Å; T118-K121 PolarHBondContact O-N 3.29Å; L119-K121 VanDerWaalsContact C-N 3.3Å; L119-K121 PolarHBondContact O-N 2.75Å; K121-T125 WeakPolarHBondContact O-CG2 3.3Å; K121-L152 HydrophobicContact CG-CD2 4.42Å
122Q98.2Very high98.1Very high120 Ų12050.8 Ų50.856%0.56128%0.275SS*.Hα-helixtrans-65.7-47.5178.1-178.7-179.7-13.300111.5T118 L119 L120 R124 T125T118-Q122 WeakPolarHBondContact O-CB 3.26Å; T118-Q122 PolarHBondContact O-N 3.41Å; L119-Q122 WeakPolarHBondContact O-CB 3.29Å; L119-Q122 PolarHBondContact O-N 3.4Å; L120-Q122 VanDerWaalsContact C-N 3.34Å; L120-Q122 PolarHBondContact O-N 3.04Å; Q122-R124 VanDerWaalsContact C-N 3.28Å; Q122-R124 PolarHBondContact O-N 2.81Å; Q122-T125 WeakPolarHBondContact O-CB 3.32Å; Q122-T125 PolarHBondContact O-N 3.29Å; Q122-T125 VanDerWaalsContact O-N 3.14Å; Q122-T125 PolarHBondContact O-OG1 3.3Å
123L97.9Very high98.2Very high10 Ų1049.7 Ų49.75%0.05227%0.27CS..Hα-helixtrans-60.7-39.7-179.8-68.2175.7000111.4I9 L119 L120 T125 S126 H127 L129 L235 L239I9-L123 HydrophobicContact CD1-CB 4.43Å; I9-L123 HydrophobicContact CD1-CD1 4.1Å; I9-L123 HydrophobicContact CD1-CD2 4.16Å; I9-L123 HydrophobicContact CD1-CG 4.47Å; L119-L123 HydrophobicContact CD1-CD1 3.89Å; L119-L123 HydrophobicContact CD1-CD2 4.36Å; L119-L123 HydrophobicContact CD1-CG 3.91Å; L119-L123 HydrophobicContact CD2-CD1 4.39Å; L119-L123 HydrophobicContact CG-CD1 3.85Å; L119-L123 HydrophobicContact CG-CG 4.23Å; L119-L123 WeakPolarHBondContact O-CG 3.46Å; L119-L123 PolarHBondContact O-N 2.8Å; L120-L123 PolarHBondContact O-N 2.72Å; L123-T125 PolarHBondContact O-N 3.31Å; L123-T125 VanDerWaalsContact O-N 3.13Å; L123-S126 PolarHBondContact O-N 3.19Å; L123-S126 PolarHBondContact O-OG 3.44Å; L123-H127 PolarHBondContact O-N 3.08Å; L123-H127 PolarHBondContact O-ND1 2.99Å; L123-L129 HydrophobicContact CB-CD1 4.2Å; L123-L129 HydrophobicContact CB-CD2 4Å; L123-L235 HydrophobicContact CD1-CD2 3.97Å; L123-L239 HydrophobicContact CD2-CD1 3.54Å
124R97Very high98.2Very high88 Ų8848.1 Ų48.133%0.33226%0.259SS..Hα-helixtrans-62.5-18.9178.8-161.9177-1761578.7114.2L120 Q122 S126 H127 L129 G151 L152 F153 D154L120-R124 WeakPolarHBondContact O-CB 3.46Å; L120-R124 PolarHBondContact O-N 2.76Å; Q122-R124 VanDerWaalsContact C-N 3.28Å; Q122-R124 PolarHBondContact O-N 2.81Å; R124-S126 PolarHBondContact O-N 3Å; R124-H127 WeakPolarHBondContact CA-O 3.49Å; R124-L129 HydrophobicContact CB-CD1 3.94Å; R124-L129 HydrophobicContact CB-CG 4.27Å; R124-G151 PolarHBondContact NH1-O 3.36Å; R124-L152 PolarHBondContact NH1-O 3.37Å; R124-F153 PolarHBondContact NH1-O 3.04Å; R124-F153 VanDerWaalsContact NH1-O 3.16Å; R124-F153 VanDerWaalsContact NH2-C 3.35Å; R124-F153 PolarHBondContact NH2-O 3.24Å; R124-D154 IonicContact CZ-OD1 2.84Å; R124-D154 IonicContact NE-OD1 2.76Å; R124-D154 PolarHBondContact NE-OD1 3.02Å; R124-D154 IonicContact NH2-OD1 3.77Å; R124-D154 PolarHBondContact NH2-OD1 2.99Å
125T96.7Very high98Very high117 Ų11744.7 Ų44.772%0.71824%0.241SC*.THydrogen-bonded Turntrans-68-19.2175.167.20000113.4K121 Q122 L123K121-T125 WeakPolarHBondContact O-CG2 3.3Å; Q122-T125 WeakPolarHBondContact O-CB 3.32Å; Q122-T125 PolarHBondContact O-N 3.29Å; Q122-T125 VanDerWaalsContact O-N 3.14Å; Q122-T125 PolarHBondContact O-OG1 3.3Å; L123-T125 PolarHBondContact O-N 3.31Å; L123-T125 VanDerWaalsContact O-N 3.13Å
126S95.3Very high97.9Very high80 Ų8042.9 Ų42.956%0.55923%0.227SC*.THydrogen-bonded Turntrans-135.2-11.7-17344.10000114.6L123 R124L123-S126 PolarHBondContact O-N 3.19Å; L123-S126 PolarHBondContact O-OG 3.44Å; R124-S126 PolarHBondContact O-N 3Å
127H97.6Very high97.8Very high30 Ų3044.6 Ų44.614%0.13924%0.237CC..SBendtrans-134.7152.2-178.8-50.278.5000110I6 I9 L123 R124 L129I6-H127 PolarHBondContact O-CD2 3.15Å; I9-H127 HydrophobicContact CD1-CB 4.11Å; I9-H127 HydrophobicContact CG1-CB 4.22Å; L123-H127 PolarHBondContact O-N 3.08Å; L123-H127 PolarHBondContact O-ND1 2.99Å; R124-H127 WeakPolarHBondContact CA-O 3.49Å; H127-L129 HydrophobicContact CB-CD2 4.4Å
128K98.6Very high97.7Very high84 Ų8444.9 Ų44.937%0.36524%0.237SC..EExtended strand (participates in β ladder)trans-75135.4162.5-62-172.1179.1-168.20109.6K7 A8 I9 D154 L179 V181K7-K128 PolarHBondContact O-N 3.13Å; A8-K128 CarbonylContact C-O 3.56Å; A8-K128 VanDerWaalsContact CA-O 3.25Å; A8-K128 WeakPolarHBondContact CA-O 3.5Å; A8-K128 HydrophobicContact CB-CB 4.24Å; I9-K128 PolarHBondContact N-O 2.84Å; K128-D154 WeakPolarHBondContact CA-OD2 3.34Å; K128-L179 HydrophobicContact CB-CD1 4.25Å; K128-L179 HydrophobicContact CB-CD2 4.14Å; K128-L179 HydrophobicContact CD-CB 4.06Å; K128-L179 HydrophobicContact CD-CD2 4.22Å; K128-L179 WeakPolarHBondContact CD-O 3.45Å; K128-L179 PolarHBondContact NZ-O 3.35Å; K128-V181 HydrophobicContact CD-CG1 4.49Å
129L98.9Very high97.7Very high0 Ų041 Ų410%021%0.213CC..EExtended strand (participates in β ladder)trans-111.2131.8176.6-56.3-172.4000109.8I9 L11 L120 L123 R124 H127 F153 D154I9-L129 HydrophobicContact CB-CD2 3.89Å; I9-L129 HydrophobicContact CD1-CD2 4.04Å; I9-L129 HydrophobicContact CG1-CD2 4.28Å; L11-L129 HydrophobicContact CD1-CD2 4.45Å; L120-L129 HydrophobicContact CB-CD1 4.38Å; L120-L129 HydrophobicContact CD2-CD1 4.17Å; L120-L129 VanDerWaalsContact O-CD1 3.3Å; L120-L129 WeakPolarHBondContact O-CD1 3.39Å; L123-L129 HydrophobicContact CB-CD1 4.2Å; L123-L129 HydrophobicContact CB-CD2 4Å; R124-L129 HydrophobicContact CB-CD1 3.94Å; R124-L129 HydrophobicContact CB-CG 4.27Å; H127-L129 HydrophobicContact CB-CD2 4.4Å; L129-F153 HydrophobicContact CB-CD1 3.9Å; L129-F153 CarbonylContact O-C 3.6Å; L129-D154 PolarHBondContact N-OD2 2.88Å; L129-D154 PolarHBondContact O-N 2.85Å
130L98.9Very high97.7Very high0 Ų040.8 Ų40.80%021%0.212CC..EExtended strand (participates in β ladder)trans-128.2129173.9-176.3155.9000109.5I9 L10 L11 L132 A155 V157 C175 L179I9-L130 PolarHBondContact O-N 3.08Å; L10-L130 CarbonylContact C-O 3.59Å; L10-L130 WeakPolarHBondContact CA-O 3.46Å; L10-L130 HydrophobicContact CD2-CB 4.17Å; L10-L130 HydrophobicContact CD2-CD1 4.28Å; L10-L130 HydrophobicContact CD2-CD2 3.74Å; L10-L130 HydrophobicContact CD2-CG 4.28Å; L11-L130 PolarHBondContact N-O 2.88Å; L130-L132 HydrophobicContact CD2-CB 3.72Å; L130-A155 WeakPolarHBondContact CA-O 3.47Å; L130-A155 HydrophobicContact CD1-CB 3.85Å; L130-A155 HydrophobicContact CG-CB 4.04Å; L130-V157 HydrophobicContact CD1-CG2 4.05Å; L130-V157 HydrophobicContact CD2-CB 4.13Å; L130-V157 HydrophobicContact CD2-CG2 3.92Å; L130-V157 HydrophobicContact CG-CG2 4.26Å; L130-C175 HydrophobicContact CD1-CB 3.69Å; L130-C175 HydrophobicContact CD2-CB 4.22Å; L130-L179 HydrophobicContact CB-CD1 3.85Å; L130-L179 HydrophobicContact CB-CD2 4.34Å; L130-L179 HydrophobicContact CB-CG 4.39Å; L130-L179 HydrophobicContact CD1-CD1 3.97Å; L130-L179 HydrophobicContact CD1-CD2 4.15Å; L130-L179 HydrophobicContact CD1-CG 3.83Å
131L98.9Very high97.6Very high0 Ų044.2 Ų44.20%023%0.225CC..EExtended strand (participates in β ladder)trans-84.2118.6170-17266.5000108.3L11 L13 L17 V144 F153 A155 V156 V157L11-L131 CarbonylContact O-C 3.58Å; L11-L131 WeakPolarHBondContact O-CA 3.07Å; L13-L131 HydrophobicContact CB-CD1 3.91Å; L13-L131 HydrophobicContact CB-CG 4.5Å; L13-L131 HydrophobicContact CD1-CD1 4.11Å; L13-L131 HydrophobicContact CD1-CD2 4.22Å; L13-L131 HydrophobicContact CD2-CD2 4.46Å; L17-L131 HydrophobicContact CD1-CD1 3.84Å; L131-V144 HydrophobicContact CD2-CG2 3.97Å; L131-F153 HydrophobicContact CB-CD1 3.86Å; L131-F153 HydrophobicContact CB-CD2 3.97Å; L131-F153 HydrophobicContact CB-CE1 3.95Å; L131-F153 HydrophobicContact CB-CE2 4.06Å; L131-F153 HydrophobicContact CB-CG 3.88Å; L131-F153 HydrophobicContact CB-CZ 4.06Å; L131-F153 HydrophobicContact CD1-CE1 4.15Å; L131-F153 HydrophobicContact CD1-CE2 4.29Å; L131-F153 HydrophobicContact CD1-CZ 3.83Å; L131-F153 HydrophobicContact CD2-CD2 4.46Å; L131-F153 HydrophobicContact CD2-CE2 4.1Å; L131-F153 HydrophobicContact CD2-CZ 4.47Å; L131-F153 HydrophobicContact CG-CE2 4.4Å; L131-F153 HydrophobicContact CG-CZ 4.36Å; L131-A155 PolarHBondContact N-O 3.04Å; L131-V156 HydrophobicContact CB-CB 4.48Å; L131-V156 HydrophobicContact CB-CG1 4.29Å; L131-V156 HydrophobicContact CB-CG2 4.14Å; L131-V156 HydrophobicContact CD2-CG1 4.04Å; L131-V156 HydrophobicContact CD2-CG2 4.42Å; L131-V157 PolarHBondContact O-N 3.48Å
132L98.8Very high97.6Very high0 Ų040.6 Ų40.60%021%0.21CC..EExtended strand (participates in β ladder)trans-120.1104.8177.9174.658.9000108.8L11 L130 V157 K166 I171 F172 M188L11-L132 PolarHBondContact O-N 2.8Å; L130-L132 HydrophobicContact CD2-CB 3.72Å; L132-V157 HydrophobicContact CD1-CB 3.95Å; L132-V157 HydrophobicContact CD1-CG1 3.57Å; L132-K166 HydrophobicContact CD1-CG 4.47Å; L132-K166 HydrophobicContact CD2-CD 3.83Å; L132-K166 HydrophobicContact CD2-CG 3.89Å; L132-K166 HydrophobicContact CG-CD 3.79Å; L132-K166 HydrophobicContact CG-CG 4.04Å; L132-K166 PolarHBondContact O-NZ 3.31Å; L132-I171 HydrophobicContact CD1-CD1 3.76Å; L132-I171 HydrophobicContact CD1-CG1 3.9Å; L132-I171 HydrophobicContact CD1-CG2 4.44Å; L132-F172 HydrophobicContact CD2-CD1 4.06Å; L132-F172 HydrophobicContact CD2-CE1 3.76Å; L132-F172 HydrophobicContact CD2-CE2 4.41Å; L132-F172 HydrophobicContact CD2-CZ 3.94Å; L132-M188 HydrophobicContact CD2-SD 4.43Å
133T98.6Very high97.6Very high0 Ų035.2 Ų35.20%019%0.185CC..EExtended strand (participates in β ladder)trans-126.1135.4-173.6-1730000111.4Q140 V157 V158 G159T133-Q140 HydrophobicContact CG2-CB 4.07Å; T133-Q140 HydrophobicContact CG2-CG 4.2Å; T133-Q140 PolarHBondContact OG1-NE2 2.95Å; T133-V157 PolarHBondContact N-O 3.16Å; T133-V158 HydrophobicContact CG2-CG2 4.08Å; T133-V158 CarbonylContact O-C 3.58Å; T133-V158 WeakPolarHBondContact O-CA 3.27Å; T133-G159 PolarHBondContact O-N 2.9Å
134N98.1Very high97.6Very high24 Ų2434.9 Ų34.913%0.12818%0.183CC..  trans-79.5169.5173.8-82.723000111.3Q140 E165 K166N134-Q140 VanDerWaalsContact O-CD 3.26Å; N134-Q140 VanDerWaalsContact O-CG 3.26Å; N134-Q140 WeakPolarHBondContact O-CG 3.25Å; N134-Q140 PolarHBondContact O-NE2 2.88Å; N134-E165 WeakPolarHBondContact CB-OE2 3.41Å; N134-E165 VanDerWaalsContact CG-CD 3.45Å; N134-E165 WeakPolarHBondContact ND2-CG 3.46Å; N134-E165 PolarHBondContact ND2-OE1 3.29Å; N134-K166 PolarHBondContact ND2-O 2.8Å; N134-K166 WeakPolarHBondContact OD1-CB 3.18Å; N134-K166 WeakPolarHBondContact OD1-CE 3.42Å; N134-K166 VanDerWaalsContact OD1-CG 3.31Å; N134-K166 WeakPolarHBondContact OD1-CG 3.37Å; N134-K166 PolarHBondContact OD1-N 3.28Å
135G95Very high97.6Very high26 Ų2636 Ų3627%0.26820%0.199SC..SBendtrans103.9172.3173.300000114.1G160 E165G135-G160 WeakPolarHBondContact O-CA 3.46Å; G135-G160 PolarHBondContact O-N 2.85Å; G135-E165 PolarHBondContact N-OE2 3.02Å
136E96.4Very high97.6Very high32 Ų3233.1 Ų33.115%0.1519%0.187CC..  trans-62.7139-173-172.7-73.7135.700112.1F60 I68 Q138 T139 Q140F60-E136 HydrophobicContact CD1-CG 3.41Å; F60-E136 VanDerWaalsContact CD1-CG 3.41Å; F60-E136 HydrophobicContact CE1-CG 3.71Å; F60-E136 HydrophobicContact CG-CG 4.16Å; I68-E136 HydrophobicContact CB-CG 4.18Å; I68-E136 HydrophobicContact CD1-CG 4.19Å; I68-E136 HydrophobicContact CG1-CG 4.06Å; I68-E136 WeakPolarHBondContact CG2-OE2 3.46Å; E136-Q138 PolarHBondContact O-N 3.31Å; E136-Q138 WeakPolarHBondContact OE1-CB 3.45Å; E136-Q138 PolarHBondContact OE1-N 3.29Å; E136-Q138 WeakPolarHBondContact OE2-CB 3.4Å; E136-Q138 PolarHBondContact OE2-N 3.24Å; E136-Q138 VanDerWaalsContact OE2-N 3.08Å; E136-T139 WeakPolarHBondContact O-CB 3.18Å; E136-T139 PolarHBondContact O-N 3.37Å; E136-T139 WeakPolarHBondContact OE2-CB 3.47Å; E136-T139 PolarHBondContact OE2-N 2.93Å; E136-T139 PolarHBondContact OE2-OG1 2.76Å; E136-Q140 PolarHBondContact O-N 3.43Å
137T96.4Very high97.7Very high44 Ų4430.7 Ų30.727%0.2717%0.168SC..Hα-helixtrans-53.1-55-171-60.50000113.7T139 Q140 R141 G160 E161T137-T139 VanDerWaalsContact C-N 3.32Å; T137-T139 PolarHBondContact O-N 3.42Å; T137-Q140 PolarHBondContact O-N 3.37Å; T137-R141 HydrophobicContact CG2-CG 4.25Å; T137-R141 VanDerWaalsContact O-CB 3.29Å; T137-R141 WeakPolarHBondContact O-CB 3.43Å; T137-R141 WeakPolarHBondContact O-CG 3.43Å; T137-R141 PolarHBondContact O-N 3.43Å; T137-G160 PolarHBondContact OG1-O 3.42Å; T137-E161 HydrophobicContact CG2-CG 3.6Å; T137-E161 WeakPolarHBondContact CG2-OE1 3.48Å; T137-E161 WeakPolarHBondContact OG1-CG 3.39Å; T137-E161 PolarHBondContact OG1-N 2.82Å
138Q97Very high97.6Very high62 Ų6232.2 Ų32.229%0.2919%0.192SC..Hα-helixtrans-59.7-46.5-178.1-174.1-168.6-40.300110.3I68 D69 E136 Q140 R141 E142I68-Q138 HydrophobicContact CG2-CB 4.07Å; I68-Q138 HydrophobicContact CG2-CG 4.37Å; D69-Q138 PolarHBondContact OD1-NE2 3.03Å; E136-Q138 PolarHBondContact O-N 3.31Å; E136-Q138 WeakPolarHBondContact OE1-CB 3.45Å; E136-Q138 PolarHBondContact OE1-N 3.29Å; E136-Q138 WeakPolarHBondContact OE2-CB 3.4Å; E136-Q138 PolarHBondContact OE2-N 3.24Å; E136-Q138 VanDerWaalsContact OE2-N 3.08Å; Q138-Q140 PolarHBondContact O-N 2.65Å; Q138-R141 PolarHBondContact O-N 3.14Å; Q138-E142 HydrophobicContact CG-CG 4.4Å; Q138-E142 PolarHBondContact NE2-OE1 3.14Å; Q138-E142 WeakPolarHBondContact O-CB 3.35Å; Q138-E142 VanDerWaalsContact O-CG 3.25Å; Q138-E142 WeakPolarHBondContact O-CG 3.37Å; Q138-E142 PolarHBondContact O-N 2.7Å
139T97.1Very high97.5Very high7 Ų728.3 Ų28.34%0.04318%0.175CC..Hα-helixtrans-58.5-48.6-178.9-56.20000111.9R72 E136 T137 K143R72-T139 PolarHBondContact NH1-OG1 3.15Å; E136-T139 WeakPolarHBondContact O-CB 3.18Å; E136-T139 PolarHBondContact O-N 3.37Å; E136-T139 WeakPolarHBondContact OE2-CB 3.47Å; E136-T139 PolarHBondContact OE2-N 2.93Å; E136-T139 PolarHBondContact OE2-OG1 2.76Å; T137-T139 VanDerWaalsContact C-N 3.32Å; T137-T139 PolarHBondContact O-N 3.42Å; T139-K143 WeakPolarHBondContact O-CG 3.41Å; T139-K143 PolarHBondContact O-N 3.39Å
140Q98.2Very high97.3Very high6 Ų634.2 Ų34.23%0.02820%0.203CC..Hα-helixtrans-75-35.4-177.4-60.3-53.998.300111.8D14 T133 N134 E136 T137 Q138 K143 V144 V158D14-Q140 PolarHBondContact OD2-NE2 2.7Å; T133-Q140 HydrophobicContact CG2-CB 4.07Å; T133-Q140 HydrophobicContact CG2-CG 4.2Å; T133-Q140 PolarHBondContact OG1-NE2 2.95Å; N134-Q140 VanDerWaalsContact O-CD 3.26Å; N134-Q140 VanDerWaalsContact O-CG 3.26Å; N134-Q140 WeakPolarHBondContact O-CG 3.25Å; N134-Q140 PolarHBondContact O-NE2 2.88Å; E136-Q140 PolarHBondContact O-N 3.43Å; T137-Q140 PolarHBondContact O-N 3.37Å; Q138-Q140 PolarHBondContact O-N 2.65Å; Q140-K143 WeakPolarHBondContact O-CB 3.29Å; Q140-K143 PolarHBondContact O-N 2.91Å; Q140-V144 WeakPolarHBondContact O-CG2 3.44Å; Q140-V144 PolarHBondContact O-N 3.17Å; Q140-V158 HydrophobicContact CB-CG1 3.66Å; Q140-V158 HydrophobicContact CB-CG2 4.16Å; Q140-V158 HydrophobicContact CG-CG1 4.02Å
141R97.9Very high97.1Very high72 Ų7237.2 Ų37.227%0.27223%0.234SC..Hα-helixtrans-66.4-39.4175.2-69.6-66.2-175.3-168.1-5111.9T137 Q138 K143 V144 V145 V158 E161T137-R141 HydrophobicContact CG2-CG 4.25Å; T137-R141 VanDerWaalsContact O-CB 3.29Å; T137-R141 WeakPolarHBondContact O-CB 3.43Å; T137-R141 WeakPolarHBondContact O-CG 3.43Å; T137-R141 PolarHBondContact O-N 3.43Å; Q138-R141 PolarHBondContact O-N 3.14Å; R141-K143 VanDerWaalsContact C-N 3.32Å; R141-K143 PolarHBondContact O-N 3.21Å; R141-V144 PolarHBondContact O-N 2.89Å; R141-V145 WeakPolarHBondContact O-CG2 3.43Å; R141-V145 PolarHBondContact O-N 2.95Å; R141-V158 HydrophobicContact CG-CG2 4.49Å; R141-E161 IonicContact CZ-OE1 3.93Å; R141-E161 VanDerWaalsContact CZ-OE1 3.23Å; R141-E161 IonicContact CZ-OE2 2.85Å; R141-E161 IonicContact NE-OE1 3.64Å; R141-E161 PolarHBondContact NE-OE1 3.14Å; R141-E161 IonicContact NE-OE2 3.72Å; R141-E161 IonicContact NH2-OE1 2.7Å; R141-E161 PolarHBondContact NH2-OE1 2.92Å; R141-E161 IonicContact NH2-OE2 2.76Å; R141-E161 PolarHBondContact NH2-OE2 2.84Å
142E97.9Very high97.1Very high51 Ų5138.4 Ų38.424%0.23824%0.24CC..Hα-helixtrans-57.5-43.8172.5-77.6173.6176.200111.6K103 L107 Q138 V145 A146K103-E142 VanDerWaalsContact CE-CD 3.48Å; K103-E142 WeakPolarHBondContact CE-OE1 3.46Å; K103-E142 WeakPolarHBondContact CE-OE2 3.47Å; K103-E142 IonicContact NZ-OE1 3.44Å; K103-E142 PolarHBondContact NZ-OE1 3.43Å; K103-E142 IonicContact NZ-OE2 2.76Å; K103-E142 PolarHBondContact NZ-OE2 3.37Å; L107-E142 HydrophobicContact CD1-CB 4.46Å; L107-E142 HydrophobicContact CD2-CB 4.46Å; Q138-E142 HydrophobicContact CG-CG 4.4Å; Q138-E142 PolarHBondContact NE2-OE1 3.14Å; Q138-E142 WeakPolarHBondContact O-CB 3.35Å; Q138-E142 VanDerWaalsContact O-CG 3.25Å; Q138-E142 WeakPolarHBondContact O-CG 3.37Å; Q138-E142 PolarHBondContact O-N 2.7Å; E142-V145 PolarHBondContact O-N 3.03Å; E142-A146 VanDerWaalsContact O-CB 3.3Å; E142-A146 WeakPolarHBondContact O-CB 3.05Å; E142-A146 PolarHBondContact O-N 3.29Å
143K98.3Very high97.1Very high7 Ų738.8 Ų38.83%0.0324%0.242CC..Hα-helixtrans-61-48.1174.5-66.7175-177.9166.90111.9L13 D14 L107 L110 T139 Q140 R141 V145 A146 L147L13-K143 HydrophobicContact CD2-CB 4.22Å; L13-K143 HydrophobicContact CD2-CD 4.25Å; D14-K143 WeakPolarHBondContact OD1-CE 3.5Å; D14-K143 IonicContact OD1-NZ 2.71Å; D14-K143 PolarHBondContact OD1-NZ 3.32Å; D14-K143 IonicContact OD2-NZ 2.82Å; D14-K143 PolarHBondContact OD2-NZ 3.22Å; L107-K143 HydrophobicContact CD2-CG 4.06Å; L110-K143 HydrophobicContact CD1-CB 4.29Å; L110-K143 HydrophobicContact CD1-CD 4.17Å; L110-K143 HydrophobicContact CD1-CG 3.72Å; T139-K143 WeakPolarHBondContact O-CG 3.41Å; T139-K143 PolarHBondContact O-N 3.39Å; Q140-K143 WeakPolarHBondContact O-CB 3.29Å; Q140-K143 PolarHBondContact O-N 2.91Å; R141-K143 VanDerWaalsContact C-N 3.32Å; R141-K143 PolarHBondContact O-N 3.21Å; K143-V145 VanDerWaalsContact C-N 3.29Å; K143-V145 PolarHBondContact O-N 3.38Å; K143-A146 PolarHBondContact O-N 2.82Å; K143-L147 WeakPolarHBondContact O-CB 3.47Å; K143-L147 WeakPolarHBondContact O-CD1 3.25Å; K143-L147 WeakPolarHBondContact O-CG 3.46Å; K143-L147 PolarHBondContact O-N 3.48Å
144V97.8Very high97.1Very high3 Ų342.2 Ų42.22%0.01826%0.26CS..Hα-helixtrans-60.1-41.2-179.7170.40000111.4L131 Q140 R141 G148 C149 Q150 V156L131-V144 HydrophobicContact CD2-CG2 3.97Å; Q140-V144 WeakPolarHBondContact O-CG2 3.44Å; Q140-V144 PolarHBondContact O-N 3.17Å; R141-V144 PolarHBondContact O-N 2.89Å; V144-G148 PolarHBondContact O-N 3.01Å; V144-G148 VanDerWaalsContact O-N 3.14Å; V144-C149 PolarHBondContact O-N 3.37Å; V144-Q150 HydrophobicContact CG1-CB 4.08Å; V144-V156 HydrophobicContact CG2-CG1 4.19Å
145V97.2Very high97.1Very high110 Ų11042 Ų4267%0.66726%0.261SS*.Hα-helixtrans-66.9-48.7176.4171.20000111R141 E142 K143 L147 G148R141-V145 WeakPolarHBondContact O-CG2 3.43Å; R141-V145 PolarHBondContact O-N 2.95Å; E142-V145 PolarHBondContact O-N 3.03Å; K143-V145 VanDerWaalsContact C-N 3.29Å; K143-V145 PolarHBondContact O-N 3.38Å; V145-L147 PolarHBondContact O-N 2.67Å; V145-G148 PolarHBondContact O-N 2.92Å
146A96.5Very high97.3Very high57 Ų5741.8 Ų41.847%0.47126%0.255SS..Hα-helixtrans-58.2-37.3179.200000112.3L107 E142 K143L107-A146 HydrophobicContact CD2-CB 4.39Å; E142-A146 VanDerWaalsContact O-CB 3.3Å; E142-A146 WeakPolarHBondContact O-CB 3.05Å; E142-A146 PolarHBondContact O-N 3.29Å; K143-A146 PolarHBondContact O-N 2.82Å
147L97.2Very high97.4Very high29 Ų2940.3 Ų40.315%0.15225%0.248CC..Hα-helixtrans-79.3-16177.9-67.2167.6000113.9L13 I18 L110 I112 K143 V145 C149L13-L147 HydrophobicContact CD1-CD1 4.06Å; I18-L147 HydrophobicContact CD1-CD1 3.77Å; I18-L147 HydrophobicContact CG2-CD1 3.79Å; I18-L147 HydrophobicContact CG2-CD2 3.98Å; L110-L147 HydrophobicContact CB-CD2 3.96Å; L110-L147 WeakPolarHBondContact O-CD2 3.38Å; I112-L147 HydrophobicContact CG1-CD2 4.29Å; K143-L147 WeakPolarHBondContact O-CB 3.47Å; K143-L147 WeakPolarHBondContact O-CD1 3.25Å; K143-L147 WeakPolarHBondContact O-CG 3.46Å; K143-L147 PolarHBondContact O-N 3.48Å; V145-L147 PolarHBondContact O-N 2.67Å; L147-C149 HydrophobicContact CB-CB 3.97Å; L147-C149 PolarHBondContact O-N 2.9Å; L147-C149 VanDerWaalsContact O-N 3.14Å
148G96.6Very high97.5Very high63 Ų6338.2 Ų38.265%0.64924%0.236SC*.THydrogen-bonded Turntrans57.125.6-172.500000113.4V144 V145V144-G148 PolarHBondContact O-N 3.01Å; V144-G148 VanDerWaalsContact O-N 3.14Å; V145-G148 PolarHBondContact O-N 2.92Å
149C95.5Very high97.5Very high1 Ų135.4 Ų35.41%0.00722%0.223CC..  trans-91.3-5.3-165.568.60000114.4I112 V144 L147 G151 L152 F153I112-C149 HydrophobicContact CD1-CB 3.38Å; V144-C149 PolarHBondContact O-N 3.37Å; L147-C149 HydrophobicContact CB-CB 3.97Å; L147-C149 PolarHBondContact O-N 2.9Å; L147-C149 VanDerWaalsContact O-N 3.14Å; C149-G151 PolarHBondContact O-N 3.49Å; C149-G151 VanDerWaalsContact O-N 3.15Å; C149-L152 HydrophobicContact CB-CD1 4.06Å; C149-L152 VanDerWaalsContact O-CB 3.28Å; C149-L152 WeakPolarHBondContact O-CB 3.38Å; C149-L152 WeakPolarHBondContact O-CG 3.34Å; C149-L152 PolarHBondContact O-N 2.91Å; C149-F153 HydrophobicContact CB-CE2 4.33Å; C149-F153 WeakPolarHBondContact O-CD2 3.49Å
150Q94.5Very high97.5Very high125 Ų12536.8 Ų36.858%0.58424%0.238SC*.G310 helixtrans-54.1-38.3-178.1-173.8174.5-3.800112.5V144 L152 F153 V156V144-Q150 HydrophobicContact CG1-CB 4.08Å; Q150-L152 PolarHBondContact O-N 3.1Å; Q150-L152 VanDerWaalsContact O-N 3.15Å; Q150-F153 PolarHBondContact O-N 3.11Å; Q150-V156 HydrophobicContact CG-CG2 4.39Å
151G95.9Very high97.4Very high63 Ų6340.3 Ų40.365%0.64926%0.255SS*.G310 helixtrans-70.7-0.9177.700000115.2R124 C149R124-G151 PolarHBondContact NH1-O 3.36Å; C149-G151 PolarHBondContact O-N 3.49Å; C149-G151 VanDerWaalsContact O-N 3.15Å
152L97.8Very high97.3Very high24 Ų2439.7 Ų39.713%0.12626%0.255CS..G310 helixtrans-92-15175.8-56.9177.3000113I112 L117 L120 K121 R124 C149 Q150I112-L152 HydrophobicContact CD1-CD1 3.85Å; L117-L152 HydrophobicContact CD1-CD1 3.59Å; L117-L152 HydrophobicContact CD1-CD2 3.5Å; L117-L152 HydrophobicContact CD1-CG 4.19Å; L120-L152 HydrophobicContact CD1-CD1 3.88Å; K121-L152 HydrophobicContact CG-CD2 4.42Å; R124-L152 PolarHBondContact NH1-O 3.37Å; C149-L152 HydrophobicContact CB-CD1 4.06Å; C149-L152 VanDerWaalsContact O-CB 3.28Å; C149-L152 WeakPolarHBondContact O-CB 3.38Å; C149-L152 WeakPolarHBondContact O-CG 3.34Å; C149-L152 PolarHBondContact O-N 2.91Å; Q150-L152 PolarHBondContact O-N 3.1Å; Q150-L152 VanDerWaalsContact O-N 3.15Å
153F98.6Very high97.2Very high8 Ų842.5 Ų42.54%0.03529%0.287CS..SBendtrans-115.5155.8-177.4-53.8-85000111.2L11 L17 L120 R124 L129 L131 C149 Q150 A155 V156L11-F153 HydrophobicContact CB-CE1 4.4Å; L11-F153 HydrophobicContact CD1-CE1 3.87Å; L17-F153 HydrophobicContact CD1-CE1 4.3Å; L17-F153 HydrophobicContact CD1-CZ 3.74Å; L120-F153 HydrophobicContact CD1-CZ 4.21Å; L120-F153 HydrophobicContact CD2-CE1 4.41Å; R124-F153 PolarHBondContact NH1-O 3.04Å; R124-F153 VanDerWaalsContact NH1-O 3.16Å; R124-F153 VanDerWaalsContact NH2-C 3.35Å; R124-F153 PolarHBondContact NH2-O 3.24Å; L129-F153 HydrophobicContact CB-CD1 3.9Å; L129-F153 CarbonylContact O-C 3.6Å; L131-F153 HydrophobicContact CB-CD1 3.86Å; L131-F153 HydrophobicContact CB-CD2 3.97Å; L131-F153 HydrophobicContact CB-CE1 3.95Å; L131-F153 HydrophobicContact CB-CE2 4.06Å; L131-F153 HydrophobicContact CB-CG 3.88Å; L131-F153 HydrophobicContact CB-CZ 4.06Å; L131-F153 HydrophobicContact CD1-CE1 4.15Å; L131-F153 HydrophobicContact CD1-CE2 4.29Å; L131-F153 HydrophobicContact CD1-CZ 3.83Å; L131-F153 HydrophobicContact CD2-CD2 4.46Å; L131-F153 HydrophobicContact CD2-CE2 4.1Å; L131-F153 HydrophobicContact CD2-CZ 4.47Å; L131-F153 HydrophobicContact CG-CE2 4.4Å; L131-F153 HydrophobicContact CG-CZ 4.36Å; C149-F153 HydrophobicContact CB-CE2 4.33Å; C149-F153 WeakPolarHBondContact O-CD2 3.49Å; Q150-F153 PolarHBondContact O-N 3.11Å; F153-A155 VanDerWaalsContact CB-O 3.31Å; F153-A155 WeakPolarHBondContact CB-O 3.15Å; F153-V156 HydrophobicContact CB-CG2 4.29Å; F153-V156 HydrophobicContact CD2-CG2 4.35Å
154D98.7Very high97.1Very high72 Ų7247.3 Ų47.339%0.38531%0.31SS..SBendtrans-79.3-26.8169.3-60.3-66.4000111.2R124 K128 L129 L179R124-D154 IonicContact CZ-OD1 2.84Å; R124-D154 IonicContact NE-OD1 2.76Å; R124-D154 PolarHBondContact NE-OD1 3.02Å; R124-D154 IonicContact NH2-OD1 3.77Å; R124-D154 PolarHBondContact NH2-OD1 2.99Å; K128-D154 WeakPolarHBondContact CA-OD2 3.34Å; L129-D154 PolarHBondContact N-OD2 2.88Å; L129-D154 PolarHBondContact O-N 2.85Å; D154-L179 HydrophobicContact CB-CD2 4.03Å
155A98.5Very high97.1Very high19 Ų1951 Ų5116%0.15733%0.327CS..EExtended strand (participates in β ladder)trans-150.6155.5170.300000111.6L130 L131 F153 L178 L179L130-A155 WeakPolarHBondContact CA-O 3.47Å; L130-A155 HydrophobicContact CD1-CB 3.85Å; L130-A155 HydrophobicContact CG-CB 4.04Å; L131-A155 PolarHBondContact N-O 3.04Å; F153-A155 VanDerWaalsContact CB-O 3.31Å; F153-A155 WeakPolarHBondContact CB-O 3.15Å; A155-L178 HydrophobicContact CB-CD1 4.16Å; A155-L179 HydrophobicContact CB-CD2 4.46Å
156V98.7Very high97.1Very high22 Ų2246 Ų4613%0.13330%0.296CS..EExtended strand (participates in β ladder)trans-126.6119.2172.61770000108.1L131 V144 Q150 F153 V158L131-V156 HydrophobicContact CB-CB 4.48Å; L131-V156 HydrophobicContact CB-CG1 4.29Å; L131-V156 HydrophobicContact CB-CG2 4.14Å; L131-V156 HydrophobicContact CD2-CG1 4.04Å; L131-V156 HydrophobicContact CD2-CG2 4.42Å; V144-V156 HydrophobicContact CG2-CG1 4.19Å; Q150-V156 HydrophobicContact CG-CG2 4.39Å; F153-V156 HydrophobicContact CB-CG2 4.29Å; F153-V156 HydrophobicContact CD2-CG2 4.35Å; V156-V158 HydrophobicContact CG1-CG2 4.37Å
157V98.8Very high97.2Very high2 Ų245.4 Ų45.41%0.01229%0.287CS..EExtended strand (participates in β ladder)trans-114.5123.9-178.3176.20000108.5L130 L131 L132 T133 H162 I171 L178L130-V157 HydrophobicContact CD1-CG2 4.05Å; L130-V157 HydrophobicContact CD2-CB 4.13Å; L130-V157 HydrophobicContact CD2-CG2 3.92Å; L130-V157 HydrophobicContact CG-CG2 4.26Å; L131-V157 PolarHBondContact O-N 3.48Å; L132-V157 HydrophobicContact CD1-CB 3.95Å; L132-V157 HydrophobicContact CD1-CG1 3.57Å; T133-V157 PolarHBondContact N-O 3.16Å; V157-H162 WeakPolarHBondContact CG1-NE2 3.42Å; V157-I171 HydrophobicContact CG1-CD1 3.95Å; V157-I171 HydrophobicContact CG1-CG1 3.88Å; V157-L178 HydrophobicContact CG2-CD1 3.62Å
158V98.6Very high97.3Very high0 Ų045 Ų450%029%0.288CS..EExtended strand (participates in β ladder)trans-113.7122.2-179.7177.20000108.7T133 Q140 R141 V156 G160 E161 H162T133-V158 HydrophobicContact CG2-CG2 4.08Å; T133-V158 CarbonylContact O-C 3.58Å; T133-V158 WeakPolarHBondContact O-CA 3.27Å; Q140-V158 HydrophobicContact CB-CG1 3.66Å; Q140-V158 HydrophobicContact CB-CG2 4.16Å; Q140-V158 HydrophobicContact CG-CG1 4.02Å; R141-V158 HydrophobicContact CG-CG2 4.49Å; V156-V158 HydrophobicContact CG1-CG2 4.37Å; V158-G160 VanDerWaalsContact C-N 3.31Å; V158-G160 PolarHBondContact O-N 2.82Å; V158-E161 HydrophobicContact CB-CG 4.08Å; V158-E161 HydrophobicContact CG1-CG 4.4Å; V158-E161 WeakPolarHBondContact O-CB 3.4Å; V158-E161 PolarHBondContact O-N 3.23Å; V158-H162 PolarHBondContact O-CD2 2.82Å; V158-H162 VanDerWaalsContact O-CD2 3.22Å
159G97.6Very high97.3Very high2 Ų249.7 Ų49.72%0.02129%0.286CS..G310 helixtrans-51.3-45.4-174.800000113.6T133 E161 H162T133-G159 PolarHBondContact O-N 2.9Å; G159-E161 PolarHBondContact O-N 3.4Å; G159-H162 PolarHBondContact O-N 3.24Å
160G95.9Very high97.5Very high36 Ų3652.1 Ų52.137%0.37130%0.303SS..G310 helixtrans-62.8-11.6178.600000115.7G135 T137 V158 H162G135-G160 WeakPolarHBondContact O-CA 3.46Å; G135-G160 PolarHBondContact O-N 2.85Å; T137-G160 PolarHBondContact OG1-O 3.42Å; V158-G160 VanDerWaalsContact C-N 3.31Å; V158-G160 PolarHBondContact O-N 2.82Å; G160-H162 VanDerWaalsContact C-N 3.31Å
161E96.6Very high97.7Very high81 Ų8146.2 Ų46.238%0.37928%0.276SS..G310 helixtrans-87.6-2.8172.9-60.1175174.600112.7T137 R141 V158 G159T137-E161 HydrophobicContact CG2-CG 3.6Å; T137-E161 WeakPolarHBondContact CG2-OE1 3.48Å; T137-E161 WeakPolarHBondContact OG1-CG 3.39Å; T137-E161 PolarHBondContact OG1-N 2.82Å; R141-E161 IonicContact CZ-OE1 3.93Å; R141-E161 VanDerWaalsContact CZ-OE1 3.23Å; R141-E161 IonicContact CZ-OE2 2.85Å; R141-E161 IonicContact NE-OE1 3.64Å; R141-E161 PolarHBondContact NE-OE1 3.14Å; R141-E161 IonicContact NE-OE2 3.72Å; R141-E161 IonicContact NH2-OE1 2.7Å; R141-E161 PolarHBondContact NH2-OE1 2.92Å; R141-E161 IonicContact NH2-OE2 2.76Å; R141-E161 PolarHBondContact NH2-OE2 2.84Å; V158-E161 HydrophobicContact CB-CG 4.08Å; V158-E161 HydrophobicContact CG1-CG 4.4Å; V158-E161 WeakPolarHBondContact O-CB 3.4Å; V158-E161 PolarHBondContact O-N 3.23Å; G159-E161 PolarHBondContact O-N 3.4Å
162H96.4Very high97.8Very high59 Ų5943.2 Ų43.227%0.27325%0.245SC..SBendtrans-121161-176.8-61.9-73.1000111.5V157 V158 G159 G160 E164 I171 H174V157-H162 WeakPolarHBondContact CG1-NE2 3.42Å; V158-H162 PolarHBondContact O-CD2 2.82Å; V158-H162 VanDerWaalsContact O-CD2 3.22Å; G159-H162 PolarHBondContact O-N 3.24Å; G160-H162 VanDerWaalsContact C-N 3.31Å; H162-E164 VanDerWaalsContact C-N 3.27Å; H162-E164 PolarHBondContact O-N 2.76Å; H162-I171 HydrophobicContact CB-CD1 4.3Å; H162-H174 AromaticContact CE1-CD2 3.38Å; H162-H174 PolarHBondContact CE1-CD2 3.18Å; H162-H174 AromaticContact CE1-NE2 3.42Å; H162-H174 PolarHBondContact CE1-NE2 2.78Å; H162-H174 AromaticContact NE2-CD2 3.86Å
163A94.6Very high97.9Very high110 Ų11045.6 Ų45.691%0.90926%0.26SS*.SBendtrans-66.7-30.9178.800000112.9
164E96.8Very high97.9Very high108 Ų10849 Ų4951%0.50528%0.276SS..SBendtrans-137.3144.4175.5-55.8174104.700108.7H162 A168 S170H162-E164 VanDerWaalsContact C-N 3.27Å; H162-E164 PolarHBondContact O-N 2.76Å; E164-A168 HydrophobicContact CB-CB 3.46Å; E164-A168 VanDerWaalsContact CB-CB 3.46Å; E164-A168 HydrophobicContact CG-CB 4.23Å; E164-S170 WeakPolarHBondContact OE2-CB 3.27Å; E164-S170 PolarHBondContact OE2-OG 2.88Å
165E97.4Very high97.9Very high80 Ų8045.5 Ų45.537%0.37426%0.258SS..  trans-105.3-176.5174.961.3170.5-144.800111.5N134 G135 A168N134-E165 WeakPolarHBondContact CB-OE2 3.41Å; N134-E165 VanDerWaalsContact CG-CD 3.45Å; N134-E165 WeakPolarHBondContact ND2-CG 3.46Å; N134-E165 PolarHBondContact ND2-OE1 3.29Å; G135-E165 PolarHBondContact N-OE2 3.02Å; E165-A168 WeakPolarHBondContact O-CB 3.1Å; E165-A168 PolarHBondContact O-N 2.88Å
166K98.3Very high97.9Very high4 Ų445.4 Ų45.42%0.01725%0.254CS..THydrogen-bonded Turntrans-58136.5174.7-60.3175.2-75.7-173.20108.8D12 L132 N134 I171 F172 M188 D196D12-K166 IonicContact OD1-NZ 3.22Å; D12-K166 PolarHBondContact OD1-NZ 3.33Å; L132-K166 HydrophobicContact CD1-CG 4.47Å; L132-K166 HydrophobicContact CD2-CD 3.83Å; L132-K166 HydrophobicContact CD2-CG 3.89Å; L132-K166 HydrophobicContact CG-CD 3.79Å; L132-K166 HydrophobicContact CG-CG 4.04Å; L132-K166 PolarHBondContact O-NZ 3.31Å; N134-K166 PolarHBondContact ND2-O 2.8Å; N134-K166 WeakPolarHBondContact OD1-CB 3.18Å; N134-K166 WeakPolarHBondContact OD1-CE 3.42Å; N134-K166 VanDerWaalsContact OD1-CG 3.31Å; N134-K166 WeakPolarHBondContact OD1-CG 3.37Å; N134-K166 PolarHBondContact OD1-N 3.28Å; K166-I171 HydrophobicContact CG-CG2 4.29Å; K166-F172 HydrophobicContact CB-CE2 4.31Å; K166-F172 HydrophobicContact CD-CZ 4.22Å; K166-F172 HydrophobicContact CG-CE2 3.85Å; K166-F172 HydrophobicContact CG-CZ 3.89Å; K166-M188 HydrophobicContact CD-CE 3.99Å; K166-D196 VanDerWaalsContact CD-OD1 3.29Å; K166-D196 WeakPolarHBondContact CD-OD1 3.49Å; K166-D196 WeakPolarHBondContact CE-OD1 3.36Å; K166-D196 IonicContact NZ-OD1 2.71Å; K166-D196 PolarHBondContact NZ-OD1 3.35Å
167P98.3Very high97.9Very high45 Ų4547.1 Ų47.129%0.29228%0.275SS..THydrogen-bonded Turncis-95.817.814.537.1-37.6000115.7R169 D194 V198 G199 N202P167-R169 PolarHBondContact O-N 2.85Å; P167-D194 WeakPolarHBondContact CB-O 3.49Å; P167-D194 WeakPolarHBondContact CG-O 3.36Å; P167-V198 HydrophobicContact CB-CB 4.08Å; P167-V198 HydrophobicContact CB-CG1 3.78Å; P167-V198 HydrophobicContact CG-CG1 4.23Å; P167-G199 WeakPolarHBondContact O-CA 3.49Å; P167-N202 PolarHBondContact O-ND2 3.43Å
168A98.5Very high97.9Very high20 Ų2051.4 Ų51.417%0.16530%0.298CS..  trans-65.8134.1-176.300000111.9E164 E165 S170 I171 F172E164-A168 HydrophobicContact CB-CB 3.46Å; E164-A168 VanDerWaalsContact CB-CB 3.46Å; E164-A168 HydrophobicContact CG-CB 4.23Å; E165-A168 WeakPolarHBondContact O-CB 3.1Å; E165-A168 PolarHBondContact O-N 2.88Å; A168-S170 PolarHBondContact O-N 3.35Å; A168-S170 VanDerWaalsContact O-N 3.14Å; A168-I171 WeakPolarHBondContact O-CG2 3.43Å; A168-I171 PolarHBondContact O-N 3.44Å; A168-F172 WeakPolarHBondContact O-CD2 3.46Å
169R98.2Very high97.8Very high162 Ų16251.6 Ų51.661%0.61130%0.299SS*.Hα-helixtrans-60.8-26.2-179.7178.4173-176.6-1752.8113.5P167 F172 T173 N202P167-R169 PolarHBondContact O-N 2.85Å; R169-F172 PolarHBondContact O-N 3.42Å; R169-T173 PolarHBondContact O-N 2.91Å; R169-T173 PolarHBondContact O-OG1 3.11Å; R169-N202 WeakPolarHBondContact CD-O 3.34Å
170S98.5Very high97.9Very high52 Ų5255.7 Ų55.736%0.36433%0.332SS..Hα-helixtrans-61.1-43.8-177.551.20000112.3E164 A168 T173 H174E164-S170 WeakPolarHBondContact OE2-CB 3.27Å; E164-S170 PolarHBondContact OE2-OG 2.88Å; A168-S170 PolarHBondContact O-N 3.35Å; A168-S170 VanDerWaalsContact O-N 3.14Å; S170-T173 WeakPolarHBondContact O-CB 3.47Å; S170-T173 PolarHBondContact O-N 3.44Å; S170-H174 PolarHBondContact O-N 3.31Å
171I98.7Very high98Very high2 Ų254.6 Ų54.61%0.0132%0.318CS..Hα-helixtrans-67.9-38.7179.3-158.8167.7000112.2L132 V157 H162 K166 A168 T173 H174 C175L132-I171 HydrophobicContact CD1-CD1 3.76Å; L132-I171 HydrophobicContact CD1-CG1 3.9Å; L132-I171 HydrophobicContact CD1-CG2 4.44Å; V157-I171 HydrophobicContact CG1-CD1 3.95Å; V157-I171 HydrophobicContact CG1-CG1 3.88Å; H162-I171 HydrophobicContact CB-CD1 4.3Å; K166-I171 HydrophobicContact CG-CG2 4.29Å; A168-I171 WeakPolarHBondContact O-CG2 3.43Å; A168-I171 PolarHBondContact O-N 3.44Å; I171-T173 PolarHBondContact O-N 3.25Å; I171-H174 WeakPolarHBondContact O-CB 3.24Å; I171-H174 PolarHBondContact O-N 3.17Å; I171-C175 PolarHBondContact O-N 2.93Å; I171-C175 PolarHBondContact O-SG 3.26Å
172F98.8Very high98Very high0 Ų056.4 Ų56.40%033%0.327CS..Hα-helixtrans-64.7-40.7174.1-71-93.8000111.7L10 L132 K166 A168 R169 H174 C175 F176 M188 G199 A203L10-F172 HydrophobicContact CD1-CD1 4.35Å; L132-F172 HydrophobicContact CD2-CD1 4.06Å; L132-F172 HydrophobicContact CD2-CE1 3.76Å; L132-F172 HydrophobicContact CD2-CE2 4.41Å; L132-F172 HydrophobicContact CD2-CZ 3.94Å; K166-F172 HydrophobicContact CB-CE2 4.31Å; K166-F172 HydrophobicContact CD-CZ 4.22Å; K166-F172 HydrophobicContact CG-CE2 3.85Å; K166-F172 HydrophobicContact CG-CZ 3.89Å; A168-F172 WeakPolarHBondContact O-CD2 3.46Å; R169-F172 PolarHBondContact O-N 3.42Å; F172-H174 VanDerWaalsContact C-N 3.26Å; F172-H174 PolarHBondContact O-N 3.47Å; F172-C175 WeakPolarHBondContact O-CB 3.5Å; F172-C175 PolarHBondContact O-N 3.25Å; F172-C175 VanDerWaalsContact O-N 3.12Å; F172-F176 HydrophobicContact CB-CE2 4.11Å; F172-F176 HydrophobicContact CB-CZ 3.89Å; F172-F176 WeakPolarHBondContact O-CD1 3.48Å; F172-F176 VanDerWaalsContact O-CD2 3.27Å; F172-F176 WeakPolarHBondContact O-CD2 3.34Å; F172-F176 WeakPolarHBondContact O-CG 3.34Å; F172-F176 PolarHBondContact O-N 3.43Å; F172-M188 HydrophobicContact CE1-CB 4.43Å; F172-M188 HydrophobicContact CE1-CG 3.98Å; F172-M188 HydrophobicContact CE1-SD 3.84Å; F172-M188 HydrophobicContact CZ-CG 4.47Å; F172-M188 HydrophobicContact CZ-SD 4.41Å; F172-G199 VanDerWaalsContact CE2-C 3.45Å; F172-G199 VanDerWaalsContact CE2-CA 3.45Å; F172-A203 HydrophobicContact CB-CB 3.46Å; F172-A203 VanDerWaalsContact CB-CB 3.46Å; F172-A203 HydrophobicContact CD1-CB 4.04Å; F172-A203 HydrophobicContact CD2-CB 4.18Å; F172-A203 HydrophobicContact CG-CB 3.64Å
173T98.6Very high98.1Very high74 Ų7454.5 Ų54.545%0.45432%0.322SS..Hα-helixtrans-60.9-39175.9-55.80000111R169 S170 I171 F176 G177R169-T173 PolarHBondContact O-N 2.91Å; R169-T173 PolarHBondContact O-OG1 3.11Å; S170-T173 WeakPolarHBondContact O-CB 3.47Å; S170-T173 PolarHBondContact O-N 3.44Å; I171-T173 PolarHBondContact O-N 3.25Å; T173-F176 PolarHBondContact O-N 3.32Å; T173-G177 PolarHBondContact O-N 3.18Å; T173-G177 VanDerWaalsContact O-N 3.12Å
174H98.7Very high98.2Very high78 Ų7854.7 Ų54.736%0.36130%0.303SS..Hα-helixtrans-61.9-46.7172.2-18072.3000111.9H162 S170 I171 F172 F176 G177 L178H162-H174 AromaticContact CE1-CD2 3.38Å; H162-H174 PolarHBondContact CE1-CD2 3.18Å; H162-H174 AromaticContact CE1-NE2 3.42Å; H162-H174 PolarHBondContact CE1-NE2 2.78Å; H162-H174 AromaticContact NE2-CD2 3.86Å; S170-H174 PolarHBondContact O-N 3.31Å; I171-H174 WeakPolarHBondContact O-CB 3.24Å; I171-H174 PolarHBondContact O-N 3.17Å; F172-H174 VanDerWaalsContact C-N 3.26Å; F172-H174 PolarHBondContact O-N 3.47Å; H174-F176 VanDerWaalsContact C-N 3.35Å; H174-F176 PolarHBondContact O-N 2.81Å; H174-G177 PolarHBondContact O-N 3.21Å; H174-G177 VanDerWaalsContact O-N 3.16Å; H174-L178 WeakPolarHBondContact NE2-CD1 3.2Å; H174-L178 PolarHBondContact O-N 3.46Å
175C98.8Very high98.2Very high0 Ų049.8 Ų49.80%028%0.28CS..Hα-helixtrans-56.6-45.2175.8-64.20000112.6L10 L130 I171 F172 G177 L178 L179L10-C175 HydrophobicContact CD2-CB 3.54Å; L130-C175 HydrophobicContact CD1-CB 3.69Å; L130-C175 HydrophobicContact CD2-CB 4.22Å; I171-C175 PolarHBondContact O-N 2.93Å; I171-C175 PolarHBondContact O-SG 3.26Å; F172-C175 WeakPolarHBondContact O-CB 3.5Å; F172-C175 PolarHBondContact O-N 3.25Å; F172-C175 VanDerWaalsContact O-N 3.12Å; C175-G177 VanDerWaalsContact C-N 3.31Å; C175-G177 PolarHBondContact O-N 3.38Å; C175-L178 PolarHBondContact O-N 3.42Å; C175-L179 WeakPolarHBondContact O-CG 3.45Å; C175-L179 PolarHBondContact O-N 3.18Å; C175-L179 VanDerWaalsContact O-N 3.12Å
176F98.6Very high98.2Very high17 Ų1746 Ų468%0.07526%0.263CS..Hα-helixtrans-60.8-41.3177.4-54.7-30.1000111.7L10 F172 T173 H174 L179 A180 V181 A183 C186 A203 V205L10-F176 HydrophobicContact CD1-CE1 3.89Å; F172-F176 HydrophobicContact CB-CE2 4.11Å; F172-F176 HydrophobicContact CB-CZ 3.89Å; F172-F176 WeakPolarHBondContact O-CD1 3.48Å; F172-F176 VanDerWaalsContact O-CD2 3.27Å; F172-F176 WeakPolarHBondContact O-CD2 3.34Å; F172-F176 WeakPolarHBondContact O-CG 3.34Å; F172-F176 PolarHBondContact O-N 3.43Å; T173-F176 PolarHBondContact O-N 3.32Å; H174-F176 VanDerWaalsContact C-N 3.35Å; H174-F176 PolarHBondContact O-N 2.81Å; F176-L179 CarbonylContact O-C 3.59Å; F176-L179 PolarHBondContact O-N 3.33Å; F176-A180 WeakPolarHBondContact O-CA 3.44Å; F176-A180 PolarHBondContact O-N 3.33Å; F176-V181 HydrophobicContact CB-CG2 4.46Å; F176-V181 PolarHBondContact O-N 3.44Å; F176-V181 VanDerWaalsContact O-N 3.09Å; F176-A183 HydrophobicContact CD2-CB 4.11Å; F176-A183 HydrophobicContact CE1-CB 4.5Å; F176-A183 HydrophobicContact CE2-CB 3.49Å; F176-A183 VanDerWaalsContact CE2-CB 3.49Å; F176-A183 HydrophobicContact CZ-CB 3.73Å; F176-C186 HydrophobicContact CD1-CB 4.43Å; F176-C186 VanDerWaalsContact CD1-SG 3.53Å; F176-C186 HydrophobicContact CE1-CB 3.91Å; F176-A203 HydrophobicContact CE2-CB 4.2Å; F176-A203 HydrophobicContact CZ-CB 3.99Å; F176-V205 HydrophobicContact CE1-CG1 4.15Å; F176-V205 HydrophobicContact CZ-CG1 3.83Å
177G98.6Very high98.3Very high57 Ų5745.8 Ų45.859%0.58826%0.262SS*.Hα-helixtrans-61.6-46.9175.700000113T173 H174 C175 L179 A180T173-G177 PolarHBondContact O-N 3.18Å; T173-G177 VanDerWaalsContact O-N 3.12Å; H174-G177 PolarHBondContact O-N 3.21Å; H174-G177 VanDerWaalsContact O-N 3.16Å; C175-G177 VanDerWaalsContact C-N 3.31Å; C175-G177 PolarHBondContact O-N 3.38Å; G177-L179 VanDerWaalsContact C-N 3.26Å; G177-L179 PolarHBondContact O-N 3.1Å; G177-A180 PolarHBondContact O-N 3.19Å; G177-A180 VanDerWaalsContact O-N 3.14Å
178L98.6Very high98.3Very high93 Ų9343.6 Ų43.649%0.48725%0.248SC..Hα-helixtrans-58.4-39176.6-72.6177.6000112.3A155 V157 H174 C175A155-L178 HydrophobicContact CB-CD1 4.16Å; V157-L178 HydrophobicContact CG2-CD1 3.62Å; H174-L178 WeakPolarHBondContact NE2-CD1 3.2Å; H174-L178 PolarHBondContact O-N 3.46Å; C175-L178 PolarHBondContact O-N 3.42Å
179L98.4Very high98.3Very high4 Ų442.7 Ų42.72%0.02124%0.24CC..Hα-helixtrans-87.6-7.6-179.6-62.1-175000113.4A8 K128 L130 D154 A155 C175 F176 G177 V181A8-L179 HydrophobicContact CB-CD1 3.6Å; K128-L179 HydrophobicContact CB-CD1 4.25Å; K128-L179 HydrophobicContact CB-CD2 4.14Å; K128-L179 HydrophobicContact CD-CB 4.06Å; K128-L179 HydrophobicContact CD-CD2 4.22Å; K128-L179 WeakPolarHBondContact CD-O 3.45Å; K128-L179 PolarHBondContact NZ-O 3.35Å; L130-L179 HydrophobicContact CB-CD1 3.85Å; L130-L179 HydrophobicContact CB-CD2 4.34Å; L130-L179 HydrophobicContact CB-CG 4.39Å; L130-L179 HydrophobicContact CD1-CD1 3.97Å; L130-L179 HydrophobicContact CD1-CD2 4.15Å; L130-L179 HydrophobicContact CD1-CG 3.83Å; D154-L179 HydrophobicContact CB-CD2 4.03Å; A155-L179 HydrophobicContact CB-CD2 4.46Å; C175-L179 WeakPolarHBondContact O-CG 3.45Å; C175-L179 PolarHBondContact O-N 3.18Å; C175-L179 VanDerWaalsContact O-N 3.12Å; F176-L179 CarbonylContact O-C 3.59Å; F176-L179 PolarHBondContact O-N 3.33Å; G177-L179 VanDerWaalsContact C-N 3.26Å; G177-L179 PolarHBondContact O-N 3.1Å; L179-V181 VanDerWaalsContact C-N 3.32Å; L179-V181 HydrophobicContact CB-CG1 4.25Å; L179-V181 HydrophobicContact CB-CG2 3.79Å; L179-V181 HydrophobicContact CD1-CG2 4.47Å; L179-V181 PolarHBondContact O-N 2.98Å
180A98.1Very high98.3Very high87 Ų8735 Ų3572%0.71921%0.211SC*.THydrogen-bonded Turntrans50.549.4-172.200000112.9F176 G177F176-A180 WeakPolarHBondContact O-CA 3.44Å; F176-A180 PolarHBondContact O-N 3.33Å; G177-A180 PolarHBondContact O-N 3.19Å; G177-A180 VanDerWaalsContact O-N 3.14Å
181V98.1Very high98.2Very high13 Ų1334.9 Ų34.98%0.07921%0.206CC..  trans-128167.7178.5-63.20000110.4K7 A8 K128 F176 L179 D185 C186K7-V181 HydrophobicContact CB-CG1 3.97Å; K7-V181 HydrophobicContact CD-CG1 4.47Å; A8-V181 HydrophobicContact CB-CG1 4.31Å; A8-V181 HydrophobicContact CB-CG2 4.04Å; K128-V181 HydrophobicContact CD-CG1 4.49Å; F176-V181 HydrophobicContact CB-CG2 4.46Å; F176-V181 PolarHBondContact O-N 3.44Å; F176-V181 VanDerWaalsContact O-N 3.09Å; L179-V181 VanDerWaalsContact C-N 3.32Å; L179-V181 HydrophobicContact CB-CG1 4.25Å; L179-V181 HydrophobicContact CB-CG2 3.79Å; L179-V181 HydrophobicContact CD1-CG2 4.47Å; L179-V181 PolarHBondContact O-N 2.98Å; V181-D185 HydrophobicContact CB-CB 4.26Å; V181-C186 WeakPolarHBondContact CG2-SG 3.4Å
182Q97.8Very high98.1Very high119 Ų11936.5 Ų36.556%0.55622%0.218SC*.  trans-98.3160.9171.8-59.3-66.91500111.6H184 D185 C186Q182-H184 VanDerWaalsContact C-N 3.28Å; Q182-H184 VanDerWaalsContact CB-CE1 3.46Å; Q182-H184 WeakPolarHBondContact CB-CE1 3.42Å; Q182-H184 PolarHBondContact O-N 3.36Å; Q182-D185 PolarHBondContact N-OD2 3.49Å; Q182-D185 VanDerWaalsContact N-OD2 3.15Å; Q182-D185 VanDerWaalsContact O-CB 3.31Å; Q182-D185 WeakPolarHBondContact O-CB 2.91Å; Q182-D185 PolarHBondContact O-N 3.37Å; Q182-C186 PolarHBondContact O-SG 3.31Å
183A97.8Very high97.9Very high20 Ų2037.4 Ų37.417%0.16522%0.223CC..G310 helixtrans-54.3-44.917800000112.1F176 D185 C186 A203 G204 V205 R206F176-A183 HydrophobicContact CD2-CB 4.11Å; F176-A183 HydrophobicContact CE1-CB 4.5Å; F176-A183 HydrophobicContact CE2-CB 3.49Å; F176-A183 VanDerWaalsContact CE2-CB 3.49Å; F176-A183 HydrophobicContact CZ-CB 3.73Å; A183-D185 PolarHBondContact O-N 3.42Å; A183-C186 WeakPolarHBondContact O-CB 3.43Å; A183-C186 PolarHBondContact O-N 3.09Å; A183-A203 WeakPolarHBondContact CB-O 3.4Å; A183-G204 CarbonylContact C-O 3.54Å; A183-G204 VanDerWaalsContact CB-O 3.29Å; A183-G204 WeakPolarHBondContact CB-O 3.39Å; A183-V205 VanDerWaalsContact O-CA 3.29Å; A183-V205 WeakPolarHBondContact O-CA 3.3Å; A183-R206 PolarHBondContact O-N 2.92Å
184H96.8Very high97.8Very high114 Ų11439.3 Ų39.353%0.52823%0.23SC..G310 helixtrans-69.2-2.5177.664.3-105.2000114.9Q182 R206Q182-H184 VanDerWaalsContact C-N 3.28Å; Q182-H184 VanDerWaalsContact CB-CE1 3.46Å; Q182-H184 WeakPolarHBondContact CB-CE1 3.42Å; Q182-H184 PolarHBondContact O-N 3.36Å; H184-R206 WeakPolarHBondContact O-CB 3.15Å; H184-R206 WeakPolarHBondContact O-CD 3.46Å
185D96.8Very high97.7Very high4 Ų437.2 Ų37.22%0.02122%0.223CC..G310 helixtrans-95.6-6.1170.6-62.9-41.7000112.2K7 A8 V181 Q182 A183K7-D185 HydrophobicContact CB-CB 3.97Å; K7-D185 HydrophobicContact CD-CB 3.94Å; K7-D185 WeakPolarHBondContact CE-OD1 3.21Å; K7-D185 HydrophobicContact CG-CB 3.94Å; K7-D185 PolarHBondContact N-O 3.02Å; K7-D185 IonicContact NZ-OD1 2.74Å; K7-D185 PolarHBondContact NZ-OD1 3.08Å; K7-D185 IonicContact NZ-OD2 3.33Å; K7-D185 PolarHBondContact NZ-OD2 3.36Å; A8-D185 PolarHBondContact N-O 3.04Å; V181-D185 HydrophobicContact CB-CB 4.26Å; Q182-D185 PolarHBondContact N-OD2 3.49Å; Q182-D185 VanDerWaalsContact N-OD2 3.15Å; Q182-D185 VanDerWaalsContact O-CB 3.31Å; Q182-D185 WeakPolarHBondContact O-CB 2.91Å; Q182-D185 PolarHBondContact O-N 3.37Å; A183-D185 PolarHBondContact O-N 3.42Å
186C98.4Very high97.7Very high0 Ų037.2 Ų37.20%022%0.223CC..EExtended strand (participates in β ladder)trans-109.1148.5-168.6-59.50000112.8A8 L10 F176 V181 Q182 A183 V205 R206A8-C186 VanDerWaalsContact O-CA 3.32Å; A8-C186 WeakPolarHBondContact O-CA 3.38Å; L10-C186 HydrophobicContact CD1-CB 3.87Å; F176-C186 HydrophobicContact CD1-CB 4.43Å; F176-C186 VanDerWaalsContact CD1-SG 3.53Å; F176-C186 HydrophobicContact CE1-CB 3.91Å; V181-C186 WeakPolarHBondContact CG2-SG 3.4Å; Q182-C186 PolarHBondContact O-SG 3.31Å; A183-C186 WeakPolarHBondContact O-CB 3.43Å; A183-C186 PolarHBondContact O-N 3.09Å; C186-V205 HydrophobicContact CB-CB 4.49Å; C186-V205 HydrophobicContact CB-CG1 4.3Å; C186-R206 VanDerWaalsContact O-CB 3.22Å; C186-R206 WeakPolarHBondContact O-CB 3.39Å; C186-R206 PolarHBondContact O-N 2.87Å
187V98.6Very high97.7Very high0 Ų036.4 Ų36.40%022%0.219CC..EExtended strand (participates in β ladder)trans-116.7134.4165.8175.70000108.9I6 A8 L10 V189 A207 V209 L239 L242I6-V187 HydrophobicContact CD1-CG2 3.72Å; I6-V187 HydrophobicContact CG1-CG2 4.13Å; I6-V187 HydrophobicContact CG2-CG2 3.79Å; A8-V187 PolarHBondContact O-N 2.96Å; L10-V187 PolarHBondContact N-O 3.46Å; V187-V189 HydrophobicContact CG1-CG2 3.93Å; V187-A207 WeakPolarHBondContact CA-O 3.44Å; V187-A207 HydrophobicContact CG2-CB 4.37Å; V187-V209 HydrophobicContact CG1-CG2 3.63Å; V187-L239 HydrophobicContact CG2-CD2 4.28Å; V187-L242 HydrophobicContact CG2-CD1 3.94Å
188M98.8Very high97.6Very high0 Ų035 Ų350%020%0.199CC..EExtended strand (participates in β ladder)trans-99.2129.1171.1-179.358.3-163.300109.9L10 D12 L132 K166 F172 D196 V205 A207 T208 V209L10-M188 HydrophobicContact CB-SD 3.58Å; L10-M188 VanDerWaalsContact CB-SD 3.58Å; D12-M188 HydrophobicContact CB-CE 4.29Å; L132-M188 HydrophobicContact CD2-SD 4.43Å; K166-M188 HydrophobicContact CD-CE 3.99Å; F172-M188 HydrophobicContact CE1-CB 4.43Å; F172-M188 HydrophobicContact CE1-CG 3.98Å; F172-M188 HydrophobicContact CE1-SD 3.84Å; F172-M188 HydrophobicContact CZ-CG 4.47Å; F172-M188 HydrophobicContact CZ-SD 4.41Å; M188-D196 HydrophobicContact CE-CB 3.57Å; M188-D196 WeakPolarHBondContact CE-OD1 3.48Å; M188-D196 HydrophobicContact CG-CB 4.37Å; M188-D196 WeakPolarHBondContact CG-O 3.49Å; M188-V205 HydrophobicContact CB-CG2 4.28Å; M188-A207 PolarHBondContact N-O 3.06Å; M188-T208 CarbonylContact O-C 3.37Å; M188-T208 WeakPolarHBondContact O-CA 3.18Å; M188-V209 PolarHBondContact O-N 3.04Å
189V98.9Very high97.6Very high0 Ų030.6 Ų30.60%018%0.176CC..EExtended strand (participates in β ladder)trans-126.1123.6-179-171.90000109.3I9 L10 L11 D12 V187 V209 I211 L235I9-V189 HydrophobicContact CG2-CG2 3.8Å; L10-V189 PolarHBondContact O-N 3.14Å; L11-V189 HydrophobicContact CD2-CB 3.94Å; L11-V189 HydrophobicContact CD2-CG1 4.2Å; L11-V189 HydrophobicContact CD2-CG2 4.32Å; D12-V189 PolarHBondContact N-O 2.94Å; V187-V189 HydrophobicContact CG1-CG2 3.93Å; V189-V209 WeakPolarHBondContact CA-O 3.23Å; V189-V209 HydrophobicContact CB-CB 4.49Å; V189-V209 HydrophobicContact CG1-CB 4.3Å; V189-V209 HydrophobicContact CG1-CG1 4.42Å; V189-V209 HydrophobicContact CG2-CB 4.13Å; V189-V209 HydrophobicContact CG2-CG2 4.41Å; V189-I211 HydrophobicContact CG1-CD1 3.91Å; V189-I211 HydrophobicContact CG1-CG1 4.19Å; V189-L235 HydrophobicContact CG2-CD1 3.82Å; V189-L235 HydrophobicContact CG2-CD2 3.97Å
190G98.4Very high97.6Very high0 Ų030.4 Ų30.40%018%0.175CC..EExtended strand (participates in β ladder)trans-171.2172.6178.500000113.6T16 D196 V209 W210 I211T16-G190 WeakPolarHBondContact OG1-CA 3.24Å; G190-D196 WeakPolarHBondContact CA-OD2 3.24Å; G190-V209 PolarHBondContact N-O 3.45Å; G190-V209 VanDerWaalsContact N-O 3.16Å; G190-W210 WeakPolarHBondContact O-CA 3.28Å; G190-I211 PolarHBondContact O-N 3.37Å
191D97.1Very high97.6Very high51 Ų5132.7 Ų32.727%0.27317%0.169SC..SBendtrans-95.4-13.1-176.780.6-47.6000113.2N15 T16 D196 W210 I211N15-D191 WeakPolarHBondContact CB-OD2 3.03Å; T16-D191 PolarHBondContact OG1-N 2.67Å; D191-D196 PolarHBondContact N-OD2 2.94Å; D191-W210 PolarHBondContact O-NE1 3.03Å; D191-I211 HydrophobicContact CB-CB 4.36Å
192S95.8Very high97.5Very high36 Ų3635.5 Ų35.525%0.25218%0.184SC..  trans-101115-173.7-1790000112.2D194 T195 D196 I197S192-D194 PolarHBondContact O-N 2.9Å; S192-T195 WeakPolarHBondContact CB-OG1 3.33Å; S192-T195 PolarHBondContact OG-N 3.33Å; S192-T195 PolarHBondContact OG-OG1 3.45Å; S192-D196 WeakPolarHBondContact CB-OD2 3.5Å; S192-D196 PolarHBondContact N-OD2 3.25Å; S192-D196 VanDerWaalsContact O-CB 3.32Å; S192-D196 WeakPolarHBondContact O-CB 3.28Å; S192-D196 PolarHBondContact O-N 2.9Å; S192-I197 PolarHBondContact O-N 2.93Å
193L95.4Very high97.5Very high19 Ų1930 Ų3010%0.09916%0.158CC..Iπ-helixtrans-58.8-48.8175-74.3169.2000111.5T195 I197 V198 W210 P218L193-T195 VanDerWaalsContact C-N 3.3Å; L193-T195 PolarHBondContact O-N 3.14Å; L193-I197 HydrophobicContact CD2-CB 4.31Å; L193-I197 HydrophobicContact CD2-CG1 4.1Å; L193-I197 HydrophobicContact CD2-CG2 4.42Å; L193-I197 WeakPolarHBondContact O-CB 3.35Å; L193-V198 VanDerWaalsContact O-CG2 3.23Å; L193-V198 WeakPolarHBondContact O-CG2 3.34Å; L193-V198 PolarHBondContact O-N 3.49Å; L193-W210 HydrophobicContact CD1-CH2 3.98Å; L193-W210 HydrophobicContact CD1-CZ2 3.8Å; L193-W210 HydrophobicContact CD2-CD2 3.82Å; L193-W210 HydrophobicContact CD2-CE3 4.16Å; L193-W210 HydrophobicContact CD2-CG 4.1Å; L193-W210 HydrophobicContact CD2-CZ2 4.38Å; L193-W210 HydrophobicContact CG-CD2 4.17Å; L193-W210 HydrophobicContact CG-CH2 4.43Å; L193-W210 HydrophobicContact CG-CZ2 3.9Å; L193-P218 HydrophobicContact CD1-CB 3.9Å; L193-P218 HydrophobicContact CD1-CG 4.42Å
194D95.3Very high97.5Very high113 Ų11331.2 Ų31.260%0.60417%0.173SC*.Iπ-helixtrans-75.1-18-170.8-62.1-30.1000113.7P167 S192P167-D194 WeakPolarHBondContact CB-O 3.49Å; P167-D194 WeakPolarHBondContact CG-O 3.36Å; S192-D194 PolarHBondContact O-N 2.9Å
195T97.3Very high97.6Very high34 Ų3426.6 Ų26.621%0.20915%0.153CC..Iπ-helixtrans-112.8-61.1179.865.30000112S192 L193 G199S192-T195 WeakPolarHBondContact CB-OG1 3.33Å; S192-T195 PolarHBondContact OG-N 3.33Å; S192-T195 PolarHBondContact OG-OG1 3.45Å; L193-T195 VanDerWaalsContact C-N 3.3Å; L193-T195 PolarHBondContact O-N 3.14Å; T195-G199 VanDerWaalsContact O-CA 3.24Å; T195-G199 WeakPolarHBondContact O-CA 3.34Å; T195-G199 PolarHBondContact O-N 3.47Å
196D98.4Very high97.6Very high1 Ų130.3 Ų30.31%0.00517%0.167CC..Iπ-helixtrans-70-50.6-174.9-58.3-47.6000112K166 M188 G190 D191 S192 G200K166-D196 VanDerWaalsContact CD-OD1 3.29Å; K166-D196 WeakPolarHBondContact CD-OD1 3.49Å; K166-D196 WeakPolarHBondContact CE-OD1 3.36Å; K166-D196 IonicContact NZ-OD1 2.71Å; K166-D196 PolarHBondContact NZ-OD1 3.35Å; M188-D196 HydrophobicContact CE-CB 3.57Å; M188-D196 WeakPolarHBondContact CE-OD1 3.48Å; M188-D196 HydrophobicContact CG-CB 4.37Å; M188-D196 WeakPolarHBondContact CG-O 3.49Å; G190-D196 WeakPolarHBondContact CA-OD2 3.24Å; D191-D196 PolarHBondContact N-OD2 2.94Å; S192-D196 WeakPolarHBondContact CB-OD2 3.5Å; S192-D196 PolarHBondContact N-OD2 3.25Å; S192-D196 VanDerWaalsContact O-CB 3.32Å; S192-D196 WeakPolarHBondContact O-CB 3.28Å; S192-D196 PolarHBondContact O-N 2.9Å; D196-G200 PolarHBondContact O-N 3.16Å
197I98Very high97.6Very high0 Ų030.4 Ų30.40%017%0.167CC..Iπ-helixtrans-77.3-50.1-172.7-52.8-53.4000110.3S192 L193 G199 G200 F201 T208 W210 V223 P225S192-I197 PolarHBondContact O-N 2.93Å; L193-I197 HydrophobicContact CD2-CB 4.31Å; L193-I197 HydrophobicContact CD2-CG1 4.1Å; L193-I197 HydrophobicContact CD2-CG2 4.42Å; L193-I197 WeakPolarHBondContact O-CB 3.35Å; I197-G199 PolarHBondContact O-N 3.32Å; I197-G200 PolarHBondContact O-N 3.3Å; I197-F201 WeakPolarHBondContact O-CB 3.38Å; I197-F201 PolarHBondContact O-N 3.18Å; I197-T208 HydrophobicContact CG2-CG2 4.45Å; I197-W210 HydrophobicContact CD1-CB 3.82Å; I197-W210 HydrophobicContact CD1-CG 4.47Å; I197-W210 HydrophobicContact CG1-CB 4.04Å; I197-W210 HydrophobicContact CG1-CG 4.26Å; I197-V223 HydrophobicContact CG2-CG1 4.28Å; I197-P225 HydrophobicContact CD1-CB 4.35Å; I197-P225 HydrophobicContact CG1-CB 4.45Å; I197-P225 HydrophobicContact CG2-CB 3.78Å
198V97.9Very high97.6Very high28 Ų2830.6 Ų30.617%0.1717%0.168CC..Hα-helixtrans-57.9-40.7172.3172.20000110.5P167 L193 F201 N202 V223P167-V198 HydrophobicContact CB-CB 4.08Å; P167-V198 HydrophobicContact CB-CG1 3.78Å; P167-V198 HydrophobicContact CG-CG1 4.23Å; L193-V198 VanDerWaalsContact O-CG2 3.23Å; L193-V198 WeakPolarHBondContact O-CG2 3.34Å; L193-V198 PolarHBondContact O-N 3.49Å; V198-F201 PolarHBondContact O-N 2.88Å; V198-N202 WeakPolarHBondContact CG1-ND2 3.36Å; V198-N202 VanDerWaalsContact O-CB 3.31Å; V198-N202 WeakPolarHBondContact O-CB 3.34Å; V198-N202 PolarHBondContact O-N 3.5Å; V198-N202 PolarHBondContact O-ND2 3.04Å; V198-N202 PolarHBondContact O-OD1 3.4Å; V198-V223 HydrophobicContact CG2-CB 4.05Å; V198-V223 HydrophobicContact CG2-CG2 3.73Å
199G98.1Very high97.6Very high0 Ų030.6 Ų30.60%017%0.168CC..Hα-helixtrans-64.5-47.5178.300000113.3P167 F172 T195 I197 F201 N202 A203P167-G199 WeakPolarHBondContact O-CA 3.49Å; F172-G199 VanDerWaalsContact CE2-C 3.45Å; F172-G199 VanDerWaalsContact CE2-CA 3.45Å; T195-G199 VanDerWaalsContact O-CA 3.24Å; T195-G199 WeakPolarHBondContact O-CA 3.34Å; T195-G199 PolarHBondContact O-N 3.47Å; I197-G199 PolarHBondContact O-N 3.32Å; G199-F201 VanDerWaalsContact C-N 3.34Å; G199-F201 PolarHBondContact O-N 2.88Å; G199-N202 PolarHBondContact O-N 2.93Å; G199-A203 VanDerWaalsContact O-CB 3.3Å; G199-A203 WeakPolarHBondContact O-CB 3.49Å; G199-A203 PolarHBondContact O-N 3.26Å
200G98.2Very high97.5Very high0 Ų031.4 Ų31.40%017%0.171CC..Hα-helixtrans-59.6-45174.700000111.9D196 I197 A203 G204 V205D196-G200 PolarHBondContact O-N 3.16Å; I197-G200 PolarHBondContact O-N 3.3Å; G200-A203 PolarHBondContact O-N 2.62Å; G200-G204 PolarHBondContact O-N 3.13Å; G200-G204 VanDerWaalsContact O-N 3.08Å; G200-V205 WeakPolarHBondContact O-CG2 3.32Å; G200-V205 PolarHBondContact O-N 2.89Å; G200-V205 VanDerWaalsContact O-N 3.15Å
201F97Very high97.5Very high134 Ų13432.1 Ų32.159%0.58818%0.175SC*.Hα-helixtrans-58.5-51.1175.1178.4-94000111.9I197 V198 G199 A203 G204 V223I197-F201 WeakPolarHBondContact O-CB 3.38Å; I197-F201 PolarHBondContact O-N 3.18Å; V198-F201 PolarHBondContact O-N 2.88Å; G199-F201 VanDerWaalsContact C-N 3.34Å; G199-F201 PolarHBondContact O-N 2.88Å; F201-A203 PolarHBondContact O-N 3.09Å; F201-G204 PolarHBondContact O-N 3.29Å; F201-V223 HydrophobicContact CB-CG1 4.12Å; F201-V223 HydrophobicContact CD2-CG1 4.24Å; F201-V223 HydrophobicContact CG-CG1 4.08Å
202N96.8Very high97.3Very high73 Ų7330.8 Ų30.839%0.3917%0.168SC..Hα-helixtrans-59.2-34.1178-72.2-17.8000112.6P167 R169 V198 G199 G204P167-N202 PolarHBondContact O-ND2 3.43Å; R169-N202 WeakPolarHBondContact CD-O 3.34Å; V198-N202 WeakPolarHBondContact CG1-ND2 3.36Å; V198-N202 VanDerWaalsContact O-CB 3.31Å; V198-N202 WeakPolarHBondContact O-CB 3.34Å; V198-N202 PolarHBondContact O-N 3.5Å; V198-N202 PolarHBondContact O-ND2 3.04Å; V198-N202 PolarHBondContact O-OD1 3.4Å; G199-N202 PolarHBondContact O-N 2.93Å; N202-G204 VanDerWaalsContact C-N 3.33Å
203A97.9Very high96.5Very high2 Ų235.9 Ų35.92%0.01719%0.192CC..Hα-helixtrans-80.3-13.5179.200000113.8F172 F176 A183 G199 G200 F201 V205F172-A203 HydrophobicContact CB-CB 3.46Å; F172-A203 VanDerWaalsContact CB-CB 3.46Å; F172-A203 HydrophobicContact CD1-CB 4.04Å; F172-A203 HydrophobicContact CD2-CB 4.18Å; F172-A203 HydrophobicContact CG-CB 3.64Å; F176-A203 HydrophobicContact CE2-CB 4.2Å; F176-A203 HydrophobicContact CZ-CB 3.99Å; A183-A203 WeakPolarHBondContact CB-O 3.4Å; G199-A203 VanDerWaalsContact O-CB 3.3Å; G199-A203 WeakPolarHBondContact O-CB 3.49Å; G199-A203 PolarHBondContact O-N 3.26Å; G200-A203 PolarHBondContact O-N 2.62Å; F201-A203 PolarHBondContact O-N 3.09Å; A203-V205 HydrophobicContact CB-CG1 4.3Å
204G97.6Very high95.5Very high46 Ų4638 Ų3847%0.47422%0.219SC..THydrogen-bonded Turntrans69.737.9-177.600000112.6A183 G200 F201 N202A183-G204 CarbonylContact C-O 3.54Å; A183-G204 VanDerWaalsContact CB-O 3.29Å; A183-G204 WeakPolarHBondContact CB-O 3.39Å; G200-G204 PolarHBondContact O-N 3.13Å; G200-G204 VanDerWaalsContact O-N 3.08Å; F201-G204 PolarHBondContact O-N 3.29Å; N202-G204 VanDerWaalsContact C-N 3.33Å
205V98.2Very high94.3Very high18 Ų1835.5 Ų35.511%0.10922%0.22CC..  trans-62.7162.3172.9-57.70000110.7L10 F176 A183 C186 M188 G200 A203 A207 T208L10-V205 HydrophobicContact CD1-CG1 4.4Å; F176-V205 HydrophobicContact CE1-CG1 4.15Å; F176-V205 HydrophobicContact CZ-CG1 3.83Å; A183-V205 VanDerWaalsContact O-CA 3.29Å; A183-V205 WeakPolarHBondContact O-CA 3.3Å; C186-V205 HydrophobicContact CB-CB 4.49Å; C186-V205 HydrophobicContact CB-CG1 4.3Å; M188-V205 HydrophobicContact CB-CG2 4.28Å; G200-V205 WeakPolarHBondContact O-CG2 3.32Å; G200-V205 PolarHBondContact O-N 2.89Å; G200-V205 VanDerWaalsContact O-N 3.15Å; A203-V205 HydrophobicContact CB-CG1 4.3Å; V205-A207 VanDerWaalsContact C-N 3.33Å; V205-A207 VanDerWaalsContact CG2-O 3.29Å; V205-A207 WeakPolarHBondContact CG2-O 3.4Å; V205-A207 PolarHBondContact O-N 3.24Å; V205-T208 HydrophobicContact CG2-CG2 3.82Å
206R97.3Very high93.3Very high82 Ų8238.5 Ų38.531%0.30924%0.238SC..SBendtrans-62.6-41.4179-177.4140.2175.3167-2.1113.1E4 I6 A183 H184 C186 L242E4-R206 PolarHBondContact O-NH1 2.76Å; I6-R206 HydrophobicContact CD1-CB 4.17Å; I6-R206 VanDerWaalsContact CD1-CD 3.43Å; I6-R206 HydrophobicContact CD1-CG 3.8Å; A183-R206 PolarHBondContact O-N 2.92Å; H184-R206 WeakPolarHBondContact O-CB 3.15Å; H184-R206 WeakPolarHBondContact O-CD 3.46Å; C186-R206 VanDerWaalsContact O-CB 3.22Å; C186-R206 WeakPolarHBondContact O-CB 3.39Å; C186-R206 PolarHBondContact O-N 2.87Å; R206-L242 PolarHBondContact NH2-O 3.45Å
207A98.2Very high92.4Very high1 Ų143.6 Ų43.61%0.00827%0.272CS..EExtended strand (participates in β ladder)trans-155.6150.6177.700000110.7V187 M188 V205 D226 Y227 L242V187-A207 WeakPolarHBondContact CA-O 3.44Å; V187-A207 HydrophobicContact CG2-CB 4.37Å; M188-A207 PolarHBondContact N-O 3.06Å; V205-A207 VanDerWaalsContact C-N 3.33Å; V205-A207 VanDerWaalsContact CG2-O 3.29Å; V205-A207 WeakPolarHBondContact CG2-O 3.4Å; V205-A207 PolarHBondContact O-N 3.24Å; A207-D226 WeakPolarHBondContact CA-OD2 3.44Å; A207-D226 HydrophobicContact CB-CB 4.16Å; A207-Y227 HydrophobicContact CB-CD2 4.27Å; A207-Y227 HydrophobicContact CB-CE2 4.05Å; A207-L242 HydrophobicContact CB-CD1 3.76Å; A207-L242 HydrophobicContact CB-CD2 4.13Å
208T98.6Very high91.5Very high4 Ų446.1 Ų46.13%0.02529%0.289CS..EExtended strand (participates in β ladder)trans-108.7133.9170.354.60000109.3M188 I197 V205 P225 D226 Y227M188-T208 CarbonylContact O-C 3.37Å; M188-T208 WeakPolarHBondContact O-CA 3.18Å; I197-T208 HydrophobicContact CG2-CG2 4.45Å; V205-T208 HydrophobicContact CG2-CG2 3.82Å; T208-P225 WeakPolarHBondContact OG1-CA 3.3Å; T208-D226 PolarHBondContact N-OD2 2.82Å; T208-D226 PolarHBondContact O-N 2.94Å; T208-D226 PolarHBondContact OG1-N 3.38Å; T208-D226 VanDerWaalsContact OG1-N 3.17Å; T208-D226 PolarHBondContact OG1-OD2 2.61Å; T208-Y227 PolarHBondContact O-N 3.35Å; T208-Y227 VanDerWaalsContact O-N 3.08Å
209V98.5Very high90.7Very high0 Ų048.9 Ų48.90%031%0.307CS..EExtended strand (participates in β ladder)trans-122.8111.4-179.1-1750000108.3V187 M188 V189 G190 Y227 I229 L235 V238V187-V209 HydrophobicContact CG1-CG2 3.63Å; M188-V209 PolarHBondContact O-N 3.04Å; V189-V209 WeakPolarHBondContact CA-O 3.23Å; V189-V209 HydrophobicContact CB-CB 4.49Å; V189-V209 HydrophobicContact CG1-CB 4.3Å; V189-V209 HydrophobicContact CG1-CG1 4.42Å; V189-V209 HydrophobicContact CG2-CB 4.13Å; V189-V209 HydrophobicContact CG2-CG2 4.41Å; G190-V209 PolarHBondContact N-O 3.45Å; G190-V209 VanDerWaalsContact N-O 3.16Å; V209-Y227 WeakPolarHBondContact CA-O 3.31Å; V209-Y227 HydrophobicContact CG2-CD2 4.39Å; V209-I229 HydrophobicContact CG1-CD1 3.49Å; V209-I229 VanDerWaalsContact CG1-CD1 3.49Å; V209-I229 HydrophobicContact CG1-CG1 3.76Å; V209-L235 HydrophobicContact CB-CD1 4.5Å; V209-L235 HydrophobicContact CG1-CD1 4.25Å; V209-L235 HydrophobicContact CG2-CD1 4.18Å; V209-V238 HydrophobicContact CG1-CG2 4.5Å; V209-V238 HydrophobicContact CG2-CG1 3.82Å
210W98.1Very high89.8Confident18 Ų1858.6 Ų58.67%0.06835%0.353CS..EExtended strand (participates in β ladder)trans-90.9126179.8-176.139.9000111.2G190 D191 L193 I197 N212 V216 P218 P225 Y227 T228 I229G190-W210 WeakPolarHBondContact O-CA 3.28Å; D191-W210 PolarHBondContact O-NE1 3.03Å; L193-W210 HydrophobicContact CD1-CH2 3.98Å; L193-W210 HydrophobicContact CD1-CZ2 3.8Å; L193-W210 HydrophobicContact CD2-CD2 3.82Å; L193-W210 HydrophobicContact CD2-CE3 4.16Å; L193-W210 HydrophobicContact CD2-CG 4.1Å; L193-W210 HydrophobicContact CD2-CZ2 4.38Å; L193-W210 HydrophobicContact CG-CD2 4.17Å; L193-W210 HydrophobicContact CG-CH2 4.43Å; L193-W210 HydrophobicContact CG-CZ2 3.9Å; I197-W210 HydrophobicContact CD1-CB 3.82Å; I197-W210 HydrophobicContact CD1-CG 4.47Å; I197-W210 HydrophobicContact CG1-CB 4.04Å; I197-W210 HydrophobicContact CG1-CG 4.26Å; W210-N212 HydrophobicContact CD2-CB 4.02Å; W210-N212 HydrophobicContact CE3-CB 3.97Å; W210-N212 HydrophobicContact CH2-CB 4Å; W210-N212 WeakPolarHBondContact CH2-ND2 3.33Å; W210-N212 HydrophobicContact CZ2-CB 4.01Å; W210-N212 HydrophobicContact CZ3-CB 3.95Å; W210-N212 WeakPolarHBondContact CZ3-ND2 3.48Å; W210-V216 WeakPolarHBondContact CH2-O 3.46Å; W210-P218 HydrophobicContact CH2-CG 3.97Å; W210-P218 HydrophobicContact CZ3-CG 3.64Å; W210-P225 HydrophobicContact CB-CB 3.71Å; W210-P225 HydrophobicContact CB-CG 3.76Å; W210-P225 HydrophobicContact CE3-CG 4.09Å; W210-P225 HydrophobicContact CG-CG 4.44Å; W210-Y227 PolarHBondContact N-O 3.48Å; W210-T228 HydrophobicContact CD2-CG2 4.41Å; W210-T228 HydrophobicContact CE3-CG2 3.66Å; W210-T228 HydrophobicContact CZ3-CG2 4.21Å; W210-T228 WeakPolarHBondContact O-CA 3.22Å; W210-I229 PolarHBondContact O-N 3.15Å
211I97.4Very high89Confident14 Ų1462.7 Ų62.77%0.07240%0.395CS..EExtended strand (participates in β ladder)trans-85.2113.5171.5-52.8-53.5000108.8T16 V189 G190 D191 I229 V232T16-I211 HydrophobicContact CG2-CG1 4.2Å; V189-I211 HydrophobicContact CG1-CD1 3.91Å; V189-I211 HydrophobicContact CG1-CG1 4.19Å; G190-I211 PolarHBondContact O-N 3.37Å; D191-I211 HydrophobicContact CB-CB 4.36Å; I211-I229 CarbonylContact C-O 3.54Å; I211-I229 WeakPolarHBondContact CA-O 3.31Å; I211-I229 HydrophobicContact CD1-CD1 3.67Å; I211-I229 HydrophobicContact CD1-CG1 3.47Å; I211-I229 VanDerWaalsContact CD1-CG1 3.47Å; I211-V232 HydrophobicContact CD1-CB 4.38Å
212N93.4Very high88.4Confident23 Ų2357.6 Ų57.612%0.12338%0.376CS..  trans-130.482.5179-175.62.8000110.8W210 G214 G215 V216 T228 I229W210-N212 HydrophobicContact CD2-CB 4.02Å; W210-N212 HydrophobicContact CE3-CB 3.97Å; W210-N212 HydrophobicContact CH2-CB 4Å; W210-N212 WeakPolarHBondContact CH2-ND2 3.33Å; W210-N212 HydrophobicContact CZ2-CB 4.01Å; W210-N212 HydrophobicContact CZ3-CB 3.95Å; W210-N212 WeakPolarHBondContact CZ3-ND2 3.48Å; N212-G214 PolarHBondContact O-N 3.14Å; N212-G214 PolarHBondContact OD1-N 2.81Å; N212-G215 PolarHBondContact OD1-N 3.2Å; N212-V216 PolarHBondContact ND2-N 2.76Å; N212-V216 PolarHBondContact ND2-O 2.92Å; N212-V216 PolarHBondContact OD1-N 2.88Å; N212-V216 VanDerWaalsContact OD1-N 3.09Å; N212-T228 HydrophobicContact CB-CG2 3.72Å; N212-I229 PolarHBondContact N-O 2.9Å
213N79.9Confident88Confident144 Ų14456.1 Ų56.177%0.7737%0.369SS*.THydrogen-bonded Turntrans-70-17.5179.5-168.524.3000113.1P230N213-P230 WeakPolarHBondContact CA-O 3.35Å; N213-P230 WeakPolarHBondContact CB-O 3.47Å
214G74.2Confident87.7Confident64 Ų6462.4 Ų62.466%0.6640%0.402SS*.THydrogen-bonded Turntrans-100.6-5.5-174.500000115.3N212 V216N212-G214 PolarHBondContact O-N 3.14Å; N212-G214 PolarHBondContact OD1-N 2.81Å; G214-V216 PolarHBondContact O-N 2.94Å
215G70.3Confident87.6Confident60 Ų6061.2 Ų61.262%0.61939%0.386SS*.  trans6026.2-171.800000112.9N212 C217N212-G215 PolarHBondContact OD1-N 3.2Å; G215-C217 PolarHBondContact O-N 3.14Å
216V75.1Confident87.5Confident96 Ų9665 Ų6558%0.58241%0.406SS*.PPolyproline II helixtrans-64.9126.4179.4-179.70000107.8W210 N212 G214W210-V216 WeakPolarHBondContact CH2-O 3.46Å; N212-V216 PolarHBondContact ND2-N 2.76Å; N212-V216 PolarHBondContact ND2-O 2.92Å; N212-V216 PolarHBondContact OD1-N 2.88Å; N212-V216 VanDerWaalsContact OD1-N 3.09Å; G214-V216 PolarHBondContact O-N 2.94Å
217C78.8Confident87.5Confident108 Ų10864 Ų6473%0.7340%0.403SS*.PPolyproline II helixtrans-65.6129.5172.4-68.20000108.7G215G215-C217 PolarHBondContact O-N 3.14Å
218P80.3Confident87.4Confident54 Ų5467.6 Ų67.635%0.35143%0.425SS..PPolyproline II helixtrans-51.6139.7169.2-23.231.6000110.1L193 W210L193-P218 HydrophobicContact CD1-CB 3.9Å; L193-P218 HydrophobicContact CD1-CG 4.42Å; W210-P218 HydrophobicContact CH2-CG 3.97Å; W210-P218 HydrophobicContact CZ3-CG 3.64Å
219P80.7Confident87.4Confident86 Ų8668.2 Ų68.256%0.55843%0.428SS*.PPolyproline II helixtrans-52.2151168.8-24.732.9000111.9G221 S222P219-G221 PolarHBondContact O-N 3.4Å; P219-S222 WeakPolarHBondContact CD-OG 3.41Å; P219-S222 WeakPolarHBondContact O-CB 3.44Å; P219-S222 PolarHBondContact O-N 3.2Å; P219-S222 PolarHBondContact O-OG 3.34Å
220E79.4Confident87.2Confident204 Ų20471.7 Ų71.795%0.95345%0.45SS*.THydrogen-bonded Turntrans-58.8130.2173.2-74.3-173.6172.800110.4
221G81.5Confident87.2Confident86 Ų8672.8 Ų72.889%0.88746%0.46SS*.THydrogen-bonded Turntrans88-1179.900000115.5P219P219-G221 PolarHBondContact O-N 3.4Å
222S84.6Confident87.2Confident27 Ų2772.3 Ų72.319%0.18946%0.458CS..PPolyproline II helixtrans-62.7151.8171.6-660000112.1P219 N224P219-S222 WeakPolarHBondContact CD-OG 3.41Å; P219-S222 WeakPolarHBondContact O-CB 3.44Å; P219-S222 PolarHBondContact O-N 3.2Å; P219-S222 PolarHBondContact O-OG 3.34Å; S222-N224 PolarHBondContact O-N 3.02Å
223V87.9Confident87.4Confident42 Ų4274.7 Ų74.726%0.25547%0.471SS..PPolyproline II helixtrans-63.2132.1170.6173.80000109.1I197 V198 F201 P225I197-V223 HydrophobicContact CG2-CG1 4.28Å; V198-V223 HydrophobicContact CG2-CB 4.05Å; V198-V223 HydrophobicContact CG2-CG2 3.73Å; F201-V223 HydrophobicContact CB-CG1 4.12Å; F201-V223 HydrophobicContact CD2-CG1 4.24Å; F201-V223 HydrophobicContact CG-CG1 4.08Å; V223-P225 WeakPolarHBondContact O-CD 3.19Å
224N91.3Very high88.3Confident133 Ų13370.1 Ų70.171%0.71145%0.446SS*.PPolyproline II helixtrans-76.4120.4176.1-69.9-42.2000109.6S222S222-N224 PolarHBondContact O-N 3.02Å
225P95.3Very high89.4Confident21 Ų2167.1 Ų67.114%0.13642%0.415CS..PPolyproline II helixtrans-67.2150.7169.830.1-34.5000110.1I197 T208 W210 V223 Y227 T228I197-P225 HydrophobicContact CD1-CB 4.35Å; I197-P225 HydrophobicContact CG1-CB 4.45Å; I197-P225 HydrophobicContact CG2-CB 3.78Å; T208-P225 WeakPolarHBondContact OG1-CA 3.3Å; W210-P225 HydrophobicContact CB-CB 3.71Å; W210-P225 HydrophobicContact CB-CG 3.76Å; W210-P225 HydrophobicContact CE3-CG 4.09Å; W210-P225 HydrophobicContact CG-CG 4.44Å; V223-P225 WeakPolarHBondContact O-CD 3.19Å; P225-Y227 VanDerWaalsContact C-N 3.26Å; P225-Y227 PolarHBondContact O-N 3.28Å; P225-T228 WeakPolarHBondContact CG-OG1 3.38Å
226D97.1Very high90.7Very high98 Ų9866.6 Ų66.652%0.52440%0.401SS..SBendtrans-66-34.9176.1-58.7-78.8000111.3A207 T208A207-D226 WeakPolarHBondContact CA-OD2 3.44Å; A207-D226 HydrophobicContact CB-CB 4.16Å; T208-D226 PolarHBondContact N-OD2 2.82Å; T208-D226 PolarHBondContact O-N 2.94Å; T208-D226 PolarHBondContact OG1-N 3.38Å; T208-D226 VanDerWaalsContact OG1-N 3.17Å; T208-D226 PolarHBondContact OG1-OD2 2.61Å
227Y97.4Very high91.7Very high62 Ų6268 Ų6824%0.24340%0.401CS..EExtended strand (participates in β ladder)trans-137.8145.6176.3-58.2-88.2000111.1A207 T208 V209 W210 P225 V238 K241 L242A207-Y227 HydrophobicContact CB-CD2 4.27Å; A207-Y227 HydrophobicContact CB-CE2 4.05Å; T208-Y227 PolarHBondContact O-N 3.35Å; T208-Y227 VanDerWaalsContact O-N 3.08Å; V209-Y227 WeakPolarHBondContact CA-O 3.31Å; V209-Y227 HydrophobicContact CG2-CD2 4.39Å; W210-Y227 PolarHBondContact N-O 3.48Å; P225-Y227 VanDerWaalsContact C-N 3.26Å; P225-Y227 PolarHBondContact O-N 3.28Å; Y227-V238 HydrophobicContact CD1-CG1 3.84Å; Y227-V238 HydrophobicContact CD1-CG2 4.21Å; Y227-V238 HydrophobicContact CD2-CG1 3.47Å; Y227-V238 VanDerWaalsContact CD2-CG1 3.47Å; Y227-V238 HydrophobicContact CE1-CG1 4.21Å; Y227-V238 HydrophobicContact CE2-CG1 3.88Å; Y227-V238 HydrophobicContact CG-CB 4.43Å; Y227-V238 HydrophobicContact CG-CG1 3.45Å; Y227-V238 VanDerWaalsContact CG-CG1 3.45Å; Y227-V238 HydrophobicContact CG-CG2 4.16Å; Y227-K241 HydrophobicContact CE1-CD 4.25Å; Y227-L242 HydrophobicContact CE2-CD1 4.17Å; Y227-L242 HydrophobicContact CE2-CD2 3.88Å; Y227-L242 HydrophobicContact CE2-CG 4.15Å; Y227-L242 WeakPolarHBondContact OH-CD2 3.24Å
228T96.7Very high92.6Very high76 Ų7663.1 Ų63.147%0.46637%0.368SS..EExtended strand (participates in β ladder)trans-122.5130.1168.7-56.60000108.4W210 N212 P225W210-T228 HydrophobicContact CD2-CG2 4.41Å; W210-T228 HydrophobicContact CE3-CG2 3.66Å; W210-T228 HydrophobicContact CZ3-CG2 4.21Å; W210-T228 WeakPolarHBondContact O-CA 3.22Å; N212-T228 HydrophobicContact CB-CG2 3.72Å; P225-T228 WeakPolarHBondContact CG-OG1 3.38Å
229I96.8Very high93.3Very high16 Ų1661 Ų618%0.08235%0.353CS..EExtended strand (participates in β ladder)trans-133.8149.6177.559.9-177.7000110V209 W210 I211 N212 S231 D234 L235 V238V209-I229 HydrophobicContact CG1-CD1 3.49Å; V209-I229 VanDerWaalsContact CG1-CD1 3.49Å; V209-I229 HydrophobicContact CG1-CG1 3.76Å; W210-I229 PolarHBondContact O-N 3.15Å; I211-I229 CarbonylContact C-O 3.54Å; I211-I229 WeakPolarHBondContact CA-O 3.31Å; I211-I229 HydrophobicContact CD1-CD1 3.67Å; I211-I229 HydrophobicContact CD1-CG1 3.47Å; I211-I229 VanDerWaalsContact CD1-CG1 3.47Å; N212-I229 PolarHBondContact N-O 2.9Å; I229-S231 VanDerWaalsContact CD1-O 3.22Å; I229-S231 WeakPolarHBondContact CD1-O 3.29Å; I229-S231 WeakPolarHBondContact CG1-O 3.36Å; I229-D234 HydrophobicContact CB-CB 4.05Å; I229-D234 HydrophobicContact CD1-CB 4.27Å; I229-D234 HydrophobicContact CG2-CB 4.23Å; I229-L235 HydrophobicContact CD1-CB 4.23Å; I229-V238 HydrophobicContact CG2-CG2 3.63Å
230P95.6Very high94Very high74 Ų7459.7 Ų59.748%0.48135%0.35SS..SBendtrans-75.8-26.1-178.229.4-32.6000112.6N213 D234N213-P230 WeakPolarHBondContact CA-O 3.35Å; N213-P230 WeakPolarHBondContact CB-O 3.47Å; P230-D234 WeakPolarHBondContact CD-OD2 3.42Å; P230-D234 VanDerWaalsContact CG-OD2 3.31Å; P230-D234 WeakPolarHBondContact CG-OD2 3.39Å
231S96.9Very high94.7Very high40 Ų4056.7 Ų56.728%0.2833%0.333SS..SBendtrans-140.8151.4179.8-172.50000112.2I229 L233 D234I229-S231 VanDerWaalsContact CD1-O 3.22Å; I229-S231 WeakPolarHBondContact CD1-O 3.29Å; I229-S231 WeakPolarHBondContact CG1-O 3.36Å; S231-L233 PolarHBondContact O-N 2.7Å; S231-L233 VanDerWaalsContact O-N 3.11Å; S231-L233 PolarHBondContact OG-N 3.49Å; S231-D234 WeakPolarHBondContact CB-OD2 3.4Å; S231-D234 PolarHBondContact N-OD2 3.34Å; S231-D234 VanDerWaalsContact N-OD2 3.09Å; S231-D234 WeakPolarHBondContact O-CB 3.45Å; S231-D234 PolarHBondContact O-N 3.2Å
232V98.1Very high95Very high4 Ų453.6 Ų53.62%0.02430%0.297CS..G310 helixtrans-57.8-23.3168.771.70000112.2L11 L17 V116 L119 I211 D234 L235L11-V232 HydrophobicContact CD2-CG2 4.15Å; L17-V232 HydrophobicContact CD2-CG1 4.34Å; L17-V232 HydrophobicContact CD2-CG2 4.11Å; V116-V232 HydrophobicContact CG1-CG1 4.45Å; V116-V232 HydrophobicContact CG2-CG1 3.98Å; L119-V232 HydrophobicContact CD2-CG1 4.46Å; L119-V232 HydrophobicContact CD2-CG2 4.18Å; L119-V232 WeakPolarHBondContact CD2-O 3.33Å; I211-V232 HydrophobicContact CD1-CB 4.38Å; V232-D234 PolarHBondContact O-N 3.29Å; V232-L235 WeakPolarHBondContact O-CB 3.43Å; V232-L235 PolarHBondContact O-N 2.98Å; V232-L235 VanDerWaalsContact O-N 3.12Å
233L98.2Very high94.3Very high74 Ų7461.5 Ų61.539%0.38733%0.327SS..G310 helixtrans-63.3-21.5175.7-62.9-179.6000113.6P115 V116 L119 S231 L235 P236P115-L233 HydrophobicContact CB-CD1 3.99Å; P115-L233 HydrophobicContact CB-CD2 3.94Å; V116-L233 HydrophobicContact CG2-CD2 4.01Å; L119-L233 HydrophobicContact CB-CD2 4.37Å; L119-L233 HydrophobicContact CD2-CD2 4.22Å; S231-L233 PolarHBondContact O-N 2.7Å; S231-L233 VanDerWaalsContact O-N 3.11Å; S231-L233 PolarHBondContact OG-N 3.49Å; L233-L235 VanDerWaalsContact C-N 3.35Å; L233-P236 VanDerWaalsContact O-CD 3.28Å; L233-P236 WeakPolarHBondContact O-CD 3.41Å
234D98Very high94.6Very high48 Ų4862.5 Ų62.526%0.25733%0.331SS..G310 helixtrans-88.8-4.7178.7-49.9-57.7000112.5I229 P230 S231 V232 P236 E237I229-D234 HydrophobicContact CB-CB 4.05Å; I229-D234 HydrophobicContact CD1-CB 4.27Å; I229-D234 HydrophobicContact CG2-CB 4.23Å; P230-D234 WeakPolarHBondContact CD-OD2 3.42Å; P230-D234 VanDerWaalsContact CG-OD2 3.31Å; P230-D234 WeakPolarHBondContact CG-OD2 3.39Å; S231-D234 WeakPolarHBondContact CB-OD2 3.4Å; S231-D234 PolarHBondContact N-OD2 3.34Å; S231-D234 VanDerWaalsContact N-OD2 3.09Å; S231-D234 WeakPolarHBondContact O-CB 3.45Å; S231-D234 PolarHBondContact O-N 3.2Å; V232-D234 PolarHBondContact O-N 3.29Å; D234-P236 VanDerWaalsContact C-N 3.31Å; D234-E237 WeakPolarHBondContact O-CB 3.46Å; D234-E237 PolarHBondContact O-N 2.67Å
235L98.2Very high94.8Very high0 Ų058.7 Ų58.70%031%0.311CS..Hα-helixtrans-53.2-37.6179.8-177.661.9000114I9 L123 V189 V209 I229 V232 L233 E237 V238 L239I9-L235 HydrophobicContact CG2-CD2 4.19Å; L123-L235 HydrophobicContact CD1-CD2 3.97Å; V189-L235 HydrophobicContact CG2-CD1 3.82Å; V189-L235 HydrophobicContact CG2-CD2 3.97Å; V209-L235 HydrophobicContact CB-CD1 4.5Å; V209-L235 HydrophobicContact CG1-CD1 4.25Å; V209-L235 HydrophobicContact CG2-CD1 4.18Å; I229-L235 HydrophobicContact CD1-CB 4.23Å; V232-L235 WeakPolarHBondContact O-CB 3.43Å; V232-L235 PolarHBondContact O-N 2.98Å; V232-L235 VanDerWaalsContact O-N 3.12Å; L233-L235 VanDerWaalsContact C-N 3.35Å; L235-E237 PolarHBondContact O-N 3.02Å; L235-V238 PolarHBondContact O-N 3.43Å; L235-V238 VanDerWaalsContact O-N 3.09Å; L235-L239 HydrophobicContact CD1-CD2 4.45Å; L235-L239 HydrophobicContact CD1-CG 4.21Å; L235-L239 HydrophobicContact CD2-CD1 4.49Å; L235-L239 HydrophobicContact CG-CD1 4.04Å; L235-L239 HydrophobicContact CG-CG 4.11Å; L235-L239 WeakPolarHBondContact O-CG 3.46Å; L235-L239 PolarHBondContact O-N 2.86Å
236P97.6Very high94.7Very high49 Ų4960.8 Ų60.832%0.31832%0.321SS..Hα-helixtrans-55.7-33.3176.1-28.137.5000114.3L119 L233 D234 A240L119-P236 HydrophobicContact CD1-CG 3.53Å; L233-P236 VanDerWaalsContact O-CD 3.28Å; L233-P236 WeakPolarHBondContact O-CD 3.41Å; D234-P236 VanDerWaalsContact C-N 3.31Å; P236-A240 WeakPolarHBondContact O-CB 3.23Å; P236-A240 PolarHBondContact O-N 3.44Å
237E96.4Very high94.6Very high127 Ų12758.6 Ų58.659%0.59331%0.309SS*.Hα-helixtrans-69.3-37.4178.2-59.4-168.817100111.9D234 L235 K241D234-E237 WeakPolarHBondContact O-CB 3.46Å; D234-E237 PolarHBondContact O-N 2.67Å; L235-E237 PolarHBondContact O-N 3.02Å; E237-K241 WeakPolarHBondContact O-CG 3.42Å
238V96.8Very high94.4Very high4 Ų458.4 Ų58.42%0.02431%0.313CS..Hα-helixtrans-67.1-48.4174.7176.40000110.1V209 Y227 I229 L235 A240 K241 L242V209-V238 HydrophobicContact CG1-CG2 4.5Å; V209-V238 HydrophobicContact CG2-CG1 3.82Å; Y227-V238 HydrophobicContact CD1-CG1 3.84Å; Y227-V238 HydrophobicContact CD1-CG2 4.21Å; Y227-V238 HydrophobicContact CD2-CG1 3.47Å; Y227-V238 VanDerWaalsContact CD2-CG1 3.47Å; Y227-V238 HydrophobicContact CE1-CG1 4.21Å; Y227-V238 HydrophobicContact CE2-CG1 3.88Å; Y227-V238 HydrophobicContact CG-CB 4.43Å; Y227-V238 HydrophobicContact CG-CG1 3.45Å; Y227-V238 VanDerWaalsContact CG-CG1 3.45Å; Y227-V238 HydrophobicContact CG-CG2 4.16Å; I229-V238 HydrophobicContact CG2-CG2 3.63Å; L235-V238 PolarHBondContact O-N 3.43Å; L235-V238 VanDerWaalsContact O-N 3.09Å; V238-A240 PolarHBondContact O-N 3.23Å; V238-K241 WeakPolarHBondContact O-CB 3.46Å; V238-K241 PolarHBondContact O-N 3.14Å; V238-L242 HydrophobicContact CG1-CD1 4.15Å; V238-L242 PolarHBondContact O-N 2.84Å
239L95.9Very high94.3Very high10 Ų1057.3 Ų57.35%0.05230%0.303CS..Hα-helixtrans-60.7-34.1179.8-65176.1000112.2I6 I9 L123 V187 L235 K241 L242I6-L239 HydrophobicContact CG1-CD2 4.44Å; I6-L239 HydrophobicContact CG2-CD2 4.49Å; I9-L239 HydrophobicContact CD1-CD1 3.66Å; I9-L239 HydrophobicContact CD1-CD2 4.27Å; L123-L239 HydrophobicContact CD2-CD1 3.54Å; V187-L239 HydrophobicContact CG2-CD2 4.28Å; L235-L239 HydrophobicContact CD1-CD2 4.45Å; L235-L239 HydrophobicContact CD1-CG 4.21Å; L235-L239 HydrophobicContact CD2-CD1 4.49Å; L235-L239 HydrophobicContact CG-CD1 4.04Å; L235-L239 HydrophobicContact CG-CG 4.11Å; L235-L239 WeakPolarHBondContact O-CG 3.46Å; L235-L239 PolarHBondContact O-N 2.86Å; L239-K241 VanDerWaalsContact C-N 3.26Å; L239-K241 PolarHBondContact O-N 3.05Å; L239-L242 PolarHBondContact O-N 3.31Å
240A94.1Very high94.1Very high58 Ų5860.2 Ų60.248%0.47932%0.319SS..Hα-helixtrans-64.2-29175.700000113.4P236 V238P236-A240 WeakPolarHBondContact O-CB 3.23Å; P236-A240 PolarHBondContact O-N 3.44Å; V238-A240 PolarHBondContact O-N 3.23Å
241K93.5Very high94Very high141 Ų14159.2 Ų59.261%0.61331%0.306SS*.Hα-helixtrans-80.5-18.6177.6-64.2169.5-174.5171.80113.2Y227 E237 V238 L239Y227-K241 HydrophobicContact CE1-CD 4.25Å; E237-K241 WeakPolarHBondContact O-CG 3.42Å; V238-K241 WeakPolarHBondContact O-CB 3.46Å; V238-K241 PolarHBondContact O-N 3.14Å; L239-K241 VanDerWaalsContact C-N 3.26Å; L239-K241 PolarHBondContact O-N 3.05Å
242L88.8Confident93.7Very high22 Ų2260.8 Ų60.812%0.11531%0.308CS..  trans-93.3-2.9-177.8-70.5173000114.1I6 V187 R206 A207 Y227 V238 L239I6-L242 HydrophobicContact CD1-CB 4.09Å; I6-L242 HydrophobicContact CD1-CD1 4.26Å; I6-L242 HydrophobicContact CG1-CB 4.13Å; V187-L242 HydrophobicContact CG2-CD1 3.94Å; R206-L242 PolarHBondContact NH2-O 3.45Å; A207-L242 HydrophobicContact CB-CD1 3.76Å; A207-L242 HydrophobicContact CB-CD2 4.13Å; Y227-L242 HydrophobicContact CE2-CD1 4.17Å; Y227-L242 HydrophobicContact CE2-CD2 3.88Å; Y227-L242 HydrophobicContact CE2-CG 4.15Å; Y227-L242 WeakPolarHBondContact OH-CD2 3.24Å; V238-L242 HydrophobicContact CG1-CD1 4.15Å; V238-L242 PolarHBondContact O-N 2.84Å; L239-L242 PolarHBondContact O-N 3.31Å
243K69.1Low93.3Very high192 Ų19265.9 Ų65.984%0.83533%0.334SS*.  trans-70.30178.6-73.8-178.3-179.4179.90112.8

Retrieved 243 of 243 residues in 1754 ms (Link to these results)

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