A0A087X5H4_POEFO Loading...

Biotinidase

Catalytic release of biotin from biocytin, the product of biotin-dependent carboxylases degradation.

AlphaFold DB , UniProt , Accession A0A087X5H4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 479 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
1A61.8Low94Very high98 Ų9831.1 Ų31.181%0.8120%0.198SC*.  0141.2000000107.8S3 V289A1-S3 VanDerWaalsContact C-N 3.27Å; A1-S3 PolarHBondContact O-N 3.31Å; A1-V289 WeakPolarHBondContact O-CG2 2.91Å
2D88Confident94.2Very high147 Ų14738.2 Ų38.279%0.78622%0.218SC*.  trans-81.6-10.7-174.6-54.1-26.1000112.9V289D2-V289 PolarHBondContact O-N 3.44Å
3S95.5Very high94.4Very high37 Ų3736.1 Ų36.126%0.25921%0.206SC..EExtended strand (participates in β ladder)trans-161161.418050.20000111.3A1 K286 V287A1-S3 VanDerWaalsContact C-N 3.27Å; A1-S3 PolarHBondContact O-N 3.31Å; S3-K286 VanDerWaalsContact CB-CE 3.48Å; S3-K286 WeakPolarHBondContact OG-CE 3.36Å; S3-V287 CarbonylContact C-O 3.56Å; S3-V287 WeakPolarHBondContact CA-O 3.33Å; S3-V287 WeakPolarHBondContact CB-O 3.49Å
4Y97.3Very high94.7Very high9 Ų937.9 Ų37.94%0.03521%0.214CC..EExtended strand (participates in β ladder)trans-139.4165.517664.6-75.2000109.7A6 I53 F184 A185 F188 Q213 K286 V287 V289Y4-A6 HydrophobicContact CD2-CB 4.16Å; Y4-A6 HydrophobicContact CE2-CB 3.68Å; Y4-I53 HydrophobicContact CD2-CG2 4.26Å; Y4-I53 HydrophobicContact CE2-CG2 3.9Å; Y4-F184 HydrophobicContact CD1-CD2 4.43Å; Y4-F184 AromaticContact CD2-CD2 3.77Å; Y4-F184 HydrophobicContact CD2-CD2 3.77Å; Y4-F184 AromaticContact CD2-CE2 3.81Å; Y4-F184 HydrophobicContact CD2-CE2 3.81Å; Y4-F184 HydrophobicContact CE2-CD2 4.49Å; Y4-F184 HydrophobicContact CE2-CE2 4.23Å; Y4-F184 AromaticContact CG-CD2 3.73Å; Y4-F184 HydrophobicContact CG-CD2 3.73Å; Y4-F184 HydrophobicContact CG-CE2 4.25Å; Y4-A185 HydrophobicContact CD1-CB 3.64Å; Y4-A185 HydrophobicContact CE1-CB 3.61Å; Y4-A185 HydrophobicContact CG-CB 4.2Å; Y4-F188 AromaticContact CE2-CZ 3.9Å; Y4-F188 HydrophobicContact CE2-CZ 3.9Å; Y4-F188 AromaticContact CZ-CZ 3.74Å; Y4-F188 WeakPolarHBondContact OH-CZ 3.47Å; Y4-Q213 VanDerWaalsContact CE1-OE1 3.25Å; Y4-Q213 PolarHBondContact OH-OE1 2.92Å; Y4-K286 CarbonylContact O-C 3.47Å; Y4-K286 WeakPolarHBondContact O-CA 3.44Å; Y4-V287 HydrophobicContact CD1-CB 4.22Å; Y4-V287 WeakPolarHBondContact CD1-O 3.24Å; Y4-V287 HydrophobicContact CE1-CB 3.76Å; Y4-V287 HydrophobicContact CE1-CG1 3.73Å; Y4-V287 HydrophobicContact CE2-CB 4.25Å; Y4-V287 PolarHBondContact N-O 3.23Å; Y4-V287 PolarHBondContact O-N 3.38Å; Y4-V289 HydrophobicContact CD1-CG2 3.76Å; Y4-V289 HydrophobicContact CE1-CG2 4.24Å
5V98.6Very high94.9Very high39 Ų3939.4 Ų39.424%0.23622%0.221CC..EExtended strand (participates in β ladder)trans-98.2124.5172.5-179.50000107.6A51 K52 V284 T285V5-A51 HydrophobicContact CG1-CB 4.19Å; V5-A51 WeakPolarHBondContact O-CA 3.36Å; V5-K52 PolarHBondContact O-N 3.24Å; V5-V284 HydrophobicContact CG1-CG1 3.39Å; V5-T285 WeakPolarHBondContact CA-O 3.44Å
6A98.7Very high95Very high0 Ų038.3 Ų38.30%021%0.214CC..EExtended strand (participates in β ladder)trans-112.3150.7177.600000110.1Y4 I53 L245 I261 V284 T285 V287Y4-A6 HydrophobicContact CD2-CB 4.16Å; Y4-A6 HydrophobicContact CE2-CB 3.68Å; A6-I53 HydrophobicContact CB-CG2 3.98Å; A6-L245 HydrophobicContact CB-CD1 4.13Å; A6-L245 HydrophobicContact CB-CD2 3.86Å; A6-I261 HydrophobicContact CB-CD1 4.16Å; A6-I261 WeakPolarHBondContact O-CD1 3.39Å; A6-V284 WeakPolarHBondContact O-CA 3.07Å; A6-T285 PolarHBondContact N-O 3.12Å; A6-T285 PolarHBondContact O-N 3.03Å; A6-V287 HydrophobicContact CB-CG2 3.63Å
7A98.9Very high95Very high0 Ų042.5 Ų42.50%024%0.244CC..EExtended strand (participates in β ladder)trans-129.8144.4172.700000111.5A46 A51 I53 L54 V55 L282 L283 V284A7-A46 HydrophobicContact CB-CB 3.98Å; A7-A51 HydrophobicContact CB-CB 3.8Å; A7-I53 PolarHBondContact N-O 2.73Å; A7-L54 HydrophobicContact CB-CB 4.41Å; A7-L54 HydrophobicContact CB-CD1 3.61Å; A7-L54 WeakPolarHBondContact O-CA 3.35Å; A7-V55 PolarHBondContact O-N 2.96Å; A7-L282 HydrophobicContact CB-CD1 4.18Å; A7-L283 CarbonylContact C-O 3.58Å; A7-L283 WeakPolarHBondContact CA-O 3.34Å; A7-V284 HydrophobicContact CB-CG2 3.94Å
8V98.9Very high95.1Very high0 Ų045.7 Ų45.70%026%0.26CS..EExtended strand (participates in β ladder)trans-131.5145.9168.4-57.90000108.2V55 L245 I261 L283V8-V55 HydrophobicContact CG1-CB 4.18Å; V8-V55 HydrophobicContact CG1-CG2 4.43Å; V8-L245 HydrophobicContact CG1-CB 3.92Å; V8-I261 HydrophobicContact CB-CG1 4.5Å; V8-I261 HydrophobicContact CG1-CD1 4.26Å; V8-I261 HydrophobicContact CG1-CG1 3.78Å; V8-I261 HydrophobicContact CG2-CD1 4.25Å; V8-I261 HydrophobicContact CG2-CG1 3.93Å; V8-L283 HydrophobicContact CG2-CB 3.89Å; V8-L283 HydrophobicContact CG2-CD1 4.05Å; V8-L283 HydrophobicContact CG2-CG 4.4Å; V8-L283 PolarHBondContact N-O 3.47Å; V8-L283 PolarHBondContact O-N 2.73Å
9Y98.8Very high95.2Very high12 Ų1244.5 Ų44.55%0.04725%0.254CS..EExtended strand (participates in β ladder)trans-120.6112.7-179.6-178.4-117.7000111.7H11 I38 Q42 V55 F56 P57 S247 R281 L282Y9-H11 HydrophobicContact CD1-CB 3.86Å; Y9-H11 HydrophobicContact CE1-CB 3.73Å; Y9-H11 AromaticContact CE1-CG 3.86Å; Y9-H11 AromaticContact CE1-ND1 3.35Å; Y9-H11 WeakPolarHBondContact CE1-ND1 3.43Å; Y9-H11 PolarHBondContact O-N 3.28Å; Y9-I38 HydrophobicContact CE1-CG2 3.96Å; Y9-I38 WeakPolarHBondContact OH-CG2 3.19Å; Y9-Q42 HydrophobicContact CD1-CG 3.99Å; Y9-Q42 HydrophobicContact CD2-CB 4.24Å; Y9-Q42 HydrophobicContact CD2-CG 3.68Å; Y9-Q42 HydrophobicContact CE1-CG 3.75Å; Y9-Q42 VanDerWaalsContact CE2-CD 3.48Å; Y9-Q42 HydrophobicContact CE2-CG 3.48Å; Y9-Q42 VanDerWaalsContact CE2-CG 3.48Å; Y9-Q42 HydrophobicContact CG-CB 4.26Å; Y9-Q42 HydrophobicContact CG-CG 3.94Å; Y9-V55 PolarHBondContact N-O 2.93Å; Y9-V55 VanDerWaalsContact N-O 3.09Å; Y9-F56 AromaticContact CD1-CD1 3.82Å; Y9-F56 HydrophobicContact CD1-CD1 3.82Å; Y9-F56 AromaticContact CD1-CE1 3.71Å; Y9-F56 HydrophobicContact CD1-CE1 3.71Å; Y9-F56 HydrophobicContact CG-CD1 4.36Å; Y9-F56 HydrophobicContact CG-CE1 4.14Å; Y9-P57 VanDerWaalsContact O-CD 3.31Å; Y9-P57 WeakPolarHBondContact O-CD 3.5Å; Y9-P57 WeakPolarHBondContact O-CG 3.27Å; Y9-S247 PolarHBondContact N-OG 3.49Å; Y9-S247 VanDerWaalsContact N-OG 3.14Å; Y9-S247 PolarHBondContact O-OG 3.39Å; Y9-R281 WeakPolarHBondContact CD2-O 3.4Å; Y9-L282 HydrophobicContact CD2-CB 3.99Å; Y9-L282 HydrophobicContact CD2-CD1 4.39Å
10E98.6Very high95.3Very high0 Ų050.1 Ų50.10%027%0.271CS..EExtended strand (participates in β ladder)trans-68.9115.1166-177.1151.6125.800108.8N248 R250 T257 G258 S259 Y270 G280 R281E10-N248 VanDerWaalsContact CA-O 3.26Å; E10-N248 WeakPolarHBondContact CA-O 3.34Å; E10-R250 HydrophobicContact CG-CB 3.88Å; E10-T257 PolarHBondContact OE1-OG1 2.96Å; E10-G258 PolarHBondContact OE2-N 3.03Å; E10-S259 VanDerWaalsContact CB-OG 3.26Å; E10-S259 WeakPolarHBondContact CB-OG 3.43Å; E10-S259 WeakPolarHBondContact OE2-CB 3.4Å; E10-S259 PolarHBondContact OE2-N 3.27Å; E10-S259 VanDerWaalsContact OE2-N 3.09Å; E10-S259 PolarHBondContact OE2-OG 2.96Å; E10-Y270 WeakPolarHBondContact OE1-CE1 3.38Å; E10-G280 CarbonylContact O-C 3.39Å; E10-G280 WeakPolarHBondContact O-CA 3.45Å; E10-R281 HydrophobicContact CB-CB 4.13Å; E10-R281 PolarHBondContact N-O 2.87Å; E10-R281 PolarHBondContact O-N 2.85Å
11H98.4Very high95.4Very high0 Ų051.7 Ų51.70%028%0.282CS..BIsolated β-bridgetrans-105.3125.3-172-176.245.1000112.7Y9 V13 N35 Y39 P57 G60 N248 L249 R250Y9-H11 HydrophobicContact CD1-CB 3.86Å; Y9-H11 HydrophobicContact CE1-CB 3.73Å; Y9-H11 AromaticContact CE1-CG 3.86Å; Y9-H11 AromaticContact CE1-ND1 3.35Å; Y9-H11 WeakPolarHBondContact CE1-ND1 3.43Å; Y9-H11 PolarHBondContact O-N 3.28Å; H11-V13 WeakPolarHBondContact NE2-CA 3.34Å; H11-V13 PolarHBondContact O-N 2.84Å; H11-V13 VanDerWaalsContact O-N 3.15Å; H11-N35 PolarHBondContact NE2-OD1 3.19Å; H11-Y39 HydrophobicContact CB-CE1 4.33Å; H11-Y39 AromaticContact CD2-CE1 3.65Å; H11-Y39 AromaticContact CG-CE1 3.76Å; H11-Y39 AromaticContact NE2-CE1 3.8Å; H11-P57 HydrophobicContact CB-CG 3.77Å; H11-G60 PolarHBondContact CD2-O 3.46Å; H11-G60 PolarHBondContact NE2-O 2.59Å; H11-N248 PolarHBondContact N-O 2.74Å; H11-L249 HydrophobicContact CB-CD2 4.38Å; H11-L249 WeakPolarHBondContact O-CA 3.36Å; H11-R250 PolarHBondContact O-N 3.1Å
12R97.4Very high97.1Very high116 Ų11650.6 Ų50.644%0.43827%0.266SS..  trans-80.192.2162.6-178.6175.8-175.7-1035.3109.1I14 R250 E278R12-I14 PolarHBondContact O-N 2.96Å; R12-R250 HydrophobicContact CB-CB 4.3Å; R12-E278 WeakPolarHBondContact CD-O 3.46Å; R12-E278 IonicContact CZ-OE2 3.99Å; R12-E278 PolarHBondContact NE-O 2.65Å; R12-E278 IonicContact NE-OE2 3.88Å; R12-E278 PolarHBondContact NE-OE2 2.98Å; R12-E278 IonicContact NH2-OE2 2.87Å; R12-E278 PolarHBondContact NH2-OE2 2.9Å
13V96.8Very high97.6Very high11 Ų1145.4 Ų45.47%0.06724%0.24CC..  trans-63.4132.2-18060.70000111.7H11 L15 L249H11-V13 WeakPolarHBondContact NE2-CA 3.34Å; H11-V13 PolarHBondContact O-N 2.84Å; H11-V13 VanDerWaalsContact O-N 3.15Å; V13-L15 HydrophobicContact CB-CD2 4.49Å; V13-L15 HydrophobicContact CG1-CD2 3.59Å; V13-L15 HydrophobicContact CG1-CG 4Å; V13-L15 HydrophobicContact CG2-CD2 4.12Å; V13-L15 PolarHBondContact O-N 3.08Å; V13-L249 HydrophobicContact CB-CD2 4.09Å; V13-L249 HydrophobicContact CG1-CD1 4.12Å; V13-L249 HydrophobicContact CG1-CD2 4.11Å
14I98Very high97.7Very high62 Ų6246.4 Ų46.432%0.31825%0.247SC..  trans-77.5111.5164.5-60168.8000105.9R12 H31 K34 N35 I38R12-I14 PolarHBondContact O-N 2.96Å; I14-H31 PolarHBondContact O-CE1 3.06Å; I14-H31 VanDerWaalsContact O-CE1 3.23Å; I14-H31 PolarHBondContact O-NE2 2.94Å; I14-K34 HydrophobicContact CD1-CB 3.78Å; I14-N35 PolarHBondContact N-OD1 2.9Å; I14-N35 PolarHBondContact O-ND2 3.05Å; I14-I38 HydrophobicContact CD1-CD1 4.04Å
15L97.2Very high97.7Very high60 Ų6048.4 Ų48.431%0.31426%0.255SS..  trans-88.4146.9-176.3-67.2175000112V13 P17 H31 F64V13-L15 HydrophobicContact CB-CD2 4.49Å; V13-L15 HydrophobicContact CG1-CD2 3.59Å; V13-L15 HydrophobicContact CG1-CG 4Å; V13-L15 HydrophobicContact CG2-CD2 4.12Å; V13-L15 PolarHBondContact O-N 3.08Å; L15-P17 WeakPolarHBondContact O-CD 3.41Å; L15-H31 VanDerWaalsContact C-NE2 3.26Å; L15-F64 HydrophobicContact CD1-CZ 4.3Å; L15-F64 HydrophobicContact CD2-CD1 4.4Å; L15-F64 HydrophobicContact CD2-CE1 4.05Å; L15-F64 HydrophobicContact CD2-CZ 4.31Å
16N96.3Very high97.7Very high22 Ų2255.8 Ų55.812%0.11828%0.278CS..  trans-67.4122.5161.3178.7-4.4000108.1N18 P19 H31 F66 Y74N16-N18 PolarHBondContact O-N 3.34Å; N16-N18 PolarHBondContact OD1-N 3.5Å; N16-P19 WeakPolarHBondContact O-CD 3.45Å; N16-H31 PolarHBondContact N-NE2 2.85Å; N16-H31 VanDerWaalsContact N-NE2 3.1Å; N16-F66 HydrophobicContact CB-CZ 4.35Å; N16-Y74 PolarHBondContact ND2-OH 3.28Å
17P95.6Very high97.6Very high110 Ų11060.9 Ų60.971%0.71430%0.302SS*.SBendtrans-66.4-22.4-179.626.9-35.4000113.3L15L15-P17 WeakPolarHBondContact O-CD 3.41Å
18N96.9Very high97.6Very high100 Ų10060.9 Ų60.954%0.53530%0.302SS..  trans-129.265.9-178-60.2-60.4000110.6N16 R20 V21N16-N18 PolarHBondContact O-N 3.34Å; N16-N18 PolarHBondContact OD1-N 3.5Å; N18-R20 PolarHBondContact O-N 3.34Å; N18-R20 VanDerWaalsContact O-N 3.13Å; N18-V21 HydrophobicContact CB-CB 4.24Å; N18-V21 HydrophobicContact CB-CG2 4Å; N18-V21 PolarHBondContact O-N 2.85Å
19P96.5Very high97.6Very high23 Ų2362 Ų6215%0.14931%0.308CS..THydrogen-bonded Turntrans-66.8-18.8-17128.9-35.1000113.3N16 F64 N65 F66 S70N16-P19 WeakPolarHBondContact O-CD 3.45Å; P19-F64 WeakPolarHBondContact CB-O 3.39Å; P19-N65 WeakPolarHBondContact CB-O 3.21Å; P19-N65 HydrophobicContact CG-CB 3.92Å; P19-N65 WeakPolarHBondContact CG-O 3.34Å; P19-F66 HydrophobicContact CB-CD1 4.12Å; P19-F66 HydrophobicContact CB-CD2 4.33Å; P19-F66 HydrophobicContact CB-CE1 4.05Å; P19-F66 HydrophobicContact CB-CE2 4.27Å; P19-F66 HydrophobicContact CB-CG 4.24Å; P19-F66 HydrophobicContact CB-CZ 4.13Å; P19-F66 WeakPolarHBondContact O-CD1 3.28Å; P19-S70 VanDerWaalsContact O-CB 3.24Å; P19-S70 WeakPolarHBondContact O-CB 3.4Å; P19-S70 PolarHBondContact O-OG 3.45Å
20R97.6Very high97.6Very high156 Ų15665.9 Ų65.959%0.58933%0.328SS*.THydrogen-bonded Turntrans-85.5-4.7176.2-55.5-167.692.8177.76.9114.1N18 N65 T67 E167N18-R20 PolarHBondContact O-N 3.34Å; N18-R20 VanDerWaalsContact O-N 3.13Å; R20-N65 WeakPolarHBondContact CG-O 3.29Å; R20-T67 HydrophobicContact CB-CG2 4.19Å; R20-T67 HydrophobicContact CG-CG2 4.17Å; R20-E167 IonicContact CZ-OE2 2.81Å; R20-E167 IonicContact NH2-OE1 3.01Å; R20-E167 IonicContact NH2-OE2 3.4Å; R20-E167 PolarHBondContact NH2-OE2 3.31Å
21V97.8Very high97.6Very high83 Ų8366.8 Ų66.850%0.50333%0.333SS..SBendtrans-96.4120.3176.3-179.80000108.4N18N18-V21 HydrophobicContact CB-CB 4.24Å; N18-V21 HydrophobicContact CB-CG2 4Å; N18-V21 PolarHBondContact O-N 2.85Å
22P97.4Very high97.6Very high75 Ų7566.8 Ų66.849%0.48733%0.333SS..  trans-59.7140.7175.6-22.532.9000111.8
23V97.7Very high97.7Very high39 Ų3963.8 Ų63.824%0.23632%0.323CS..  trans-125.3160.5175.6-61.80000109.7E27 A28 Y74V23-E27 HydrophobicContact CB-CB 4.08Å; V23-E27 HydrophobicContact CG2-CB 4.42Å; V23-A28 HydrophobicContact CG2-CB 4.03Å; V23-Y74 HydrophobicContact CG2-CE2 3.7Å
24S98Very high97.8Very high57 Ų5768.1 Ų68.140%0.39934%0.342SS..  trans-66.5155.5173.767.50000111.6R26 E27 A28S24-R26 PolarHBondContact O-N 2.85Å; S24-E27 WeakPolarHBondContact CB-OE2 3.46Å; S24-E27 PolarHBondContact N-OE2 2.88Å; S24-E27 PolarHBondContact O-N 3.42Å; S24-E27 VanDerWaalsContact OG-CD 3.31Å; S24-E27 VanDerWaalsContact OG-CG 3.32Å; S24-E27 WeakPolarHBondContact OG-CG 3.19Å; S24-E27 PolarHBondContact OG-N 3.36Å; S24-E27 PolarHBondContact OG-OE2 2.04Å; S24-A28 PolarHBondContact O-N 2.89Å
25R97.3Very high97.8Very high52 Ų5265.2 Ų65.220%0.19633%0.326CS..Hα-helixtrans-51.6-40.4172.8174.958.2177.4-178.31.3112.2E27 A28 L29 G73 Y74 M75 E76 N97 E99R25-E27 PolarHBondContact O-N 3.12Å; R25-A28 PolarHBondContact O-N 3.2Å; R25-L29 HydrophobicContact CG-CD1 4.07Å; R25-L29 HydrophobicContact CG-CG 4.45Å; R25-L29 WeakPolarHBondContact O-CB 3.22Å; R25-L29 VanDerWaalsContact O-CG 3.31Å; R25-L29 WeakPolarHBondContact O-CG 3.39Å; R25-L29 PolarHBondContact O-N 2.89Å; R25-G73 WeakPolarHBondContact CD-O 3.47Å; R25-G73 PolarHBondContact NH1-O 2.96Å; R25-Y74 PolarHBondContact NH1-O 2.96Å; R25-M75 PolarHBondContact NH1-O 2.9Å; R25-E76 IonicContact CZ-OE1 3.8Å; R25-E76 IonicContact NH2-OE1 2.69Å; R25-E76 PolarHBondContact NH2-OE1 3.35Å; R25-N97 PolarHBondContact NH2-O 2.83Å; R25-E99 IonicContact CZ-OE2 3.73Å; R25-E99 IonicContact NE-OE2 3.79Å; R25-E99 IonicContact NH2-OE2 2.79Å; R25-E99 PolarHBondContact NH2-OE2 3.36Å
26R98.2Very high97.9Very high193 Ų19362.3 Ų62.373%0.72831%0.311SS*.Hα-helixtrans-61.6-44.5177.8-179.7177.7174.9167-0.2112.1S24 L29 I30S24-R26 PolarHBondContact O-N 2.85Å; R26-L29 PolarHBondContact O-N 2.93Å; R26-I30 HydrophobicContact CG-CD1 4.16Å; R26-I30 VanDerWaalsContact O-CG1 3.29Å; R26-I30 WeakPolarHBondContact O-CG1 3.3Å; R26-I30 PolarHBondContact O-N 2.81Å
27E98.2Very high98Very high107 Ų10764.9 Ų64.950%0.533%0.325SS..Hα-helixtrans-68.6-42.2178.5-70.8163.2131.700111.6V23 S24 R25 L29 I30 H31V23-E27 HydrophobicContact CB-CB 4.08Å; V23-E27 HydrophobicContact CG2-CB 4.42Å; S24-E27 WeakPolarHBondContact CB-OE2 3.46Å; S24-E27 PolarHBondContact N-OE2 2.88Å; S24-E27 PolarHBondContact O-N 3.42Å; S24-E27 VanDerWaalsContact OG-CD 3.31Å; S24-E27 VanDerWaalsContact OG-CG 3.32Å; S24-E27 WeakPolarHBondContact OG-CG 3.19Å; S24-E27 PolarHBondContact OG-N 3.36Å; S24-E27 PolarHBondContact OG-OE2 2.04Å; R25-E27 PolarHBondContact O-N 3.12Å; E27-L29 VanDerWaalsContact C-N 3.35Å; E27-L29 PolarHBondContact O-N 2.89Å; E27-I30 PolarHBondContact O-N 2.93Å; E27-H31 PolarHBondContact O-N 2.83Å
28A98.6Very high98.2Very high0 Ų061.6 Ų61.60%030%0.301CS..Hα-helixtrans-58.8-45.2173.700000111.6V23 S24 R25 H31 M32 G73 Y74V23-A28 HydrophobicContact CG2-CB 4.03Å; S24-A28 PolarHBondContact O-N 2.89Å; R25-A28 PolarHBondContact O-N 3.2Å; A28-H31 WeakPolarHBondContact O-CB 3.48Å; A28-H31 PolarHBondContact O-N 2.95Å; A28-M32 WeakPolarHBondContact O-CG 3.33Å; A28-M32 PolarHBondContact O-N 2.91Å; A28-G73 VanDerWaalsContact CB-C 3.44Å; A28-G73 WeakPolarHBondContact CB-O 3.46Å; A28-Y74 HydrophobicContact CB-CD1 3.81Å; A28-Y74 HydrophobicContact CB-CD2 3.82Å; A28-Y74 HydrophobicContact CB-CE1 3.76Å; A28-Y74 HydrophobicContact CB-CE2 3.77Å; A28-Y74 HydrophobicContact CB-CG 3.83Å
29L98.6Very high98.3Very high25 Ų2556.9 Ų56.913%0.13128%0.276CS..Hα-helixtrans-59.3-50.4174.2-78.5171.5000111.4R25 R26 E27 H31 M32 Q33 E99 V100R25-L29 HydrophobicContact CG-CD1 4.07Å; R25-L29 HydrophobicContact CG-CG 4.45Å; R25-L29 WeakPolarHBondContact O-CB 3.22Å; R25-L29 VanDerWaalsContact O-CG 3.31Å; R25-L29 WeakPolarHBondContact O-CG 3.39Å; R25-L29 PolarHBondContact O-N 2.89Å; R26-L29 PolarHBondContact O-N 2.93Å; E27-L29 VanDerWaalsContact C-N 3.35Å; E27-L29 PolarHBondContact O-N 2.89Å; L29-H31 PolarHBondContact O-N 2.99Å; L29-M32 HydrophobicContact CD2-CE 3.94Å; L29-M32 HydrophobicContact CG-CE 4.48Å; L29-M32 PolarHBondContact O-N 2.92Å; L29-M32 VanDerWaalsContact O-N 3.12Å; L29-Q33 VanDerWaalsContact O-CG 3.25Å; L29-Q33 WeakPolarHBondContact O-CG 3.35Å; L29-Q33 PolarHBondContact O-N 3.49Å; L29-E99 HydrophobicContact CD1-CG 4.3Å; L29-E99 HydrophobicContact CD2-CB 3.86Å; L29-E99 HydrophobicContact CD2-CG 4.39Å; L29-V100 HydrophobicContact CD2-CG2 4.24Å
30I98.6Very high98.4Very high92 Ų9258.2 Ų58.247%0.47228%0.28SS..Hα-helixtrans-55.3-38.2177.5-70.7164.8000111.2R26 E27 K34R26-I30 HydrophobicContact CG-CD1 4.16Å; R26-I30 VanDerWaalsContact O-CG1 3.29Å; R26-I30 WeakPolarHBondContact O-CG1 3.3Å; R26-I30 PolarHBondContact O-N 2.81Å; E27-I30 PolarHBondContact O-N 2.93Å; I30-K34 WeakPolarHBondContact O-CG 3.35Å
31H98.7Very high98.4Very high20 Ų2056 Ų569%0.09328%0.277CS..Hα-helixtrans-66.1-53.4174.7176.2-95.5000112.1I14 L15 N16 E27 A28 L29 Q33 K34 H62 Y74I14-H31 PolarHBondContact O-CE1 3.06Å; I14-H31 VanDerWaalsContact O-CE1 3.23Å; I14-H31 PolarHBondContact O-NE2 2.94Å; L15-H31 VanDerWaalsContact C-NE2 3.26Å; N16-H31 PolarHBondContact N-NE2 2.85Å; N16-H31 VanDerWaalsContact N-NE2 3.1Å; E27-H31 PolarHBondContact O-N 2.83Å; A28-H31 WeakPolarHBondContact O-CB 3.48Å; A28-H31 PolarHBondContact O-N 2.95Å; L29-H31 PolarHBondContact O-N 2.99Å; H31-Q33 VanDerWaalsContact C-N 3.28Å; H31-Q33 PolarHBondContact O-N 2.8Å; H31-K34 WeakPolarHBondContact O-CB 3.33Å; H31-K34 PolarHBondContact O-N 3.05Å; H31-K34 VanDerWaalsContact O-N 3.14Å; H31-H62 PolarHBondContact CE1-O 3.11Å; H31-Y74 HydrophobicContact CB-CE1 4.28Å; H31-Y74 AromaticContact ND1-CE1 3.59Å
32M98.8Very high98.5Very high0 Ų052.9 Ų52.90%026%0.256CS..Hα-helixtrans-60.3-37-179.4-68.8-168.5-6900112.4A28 L29 K34 N35 L36 I61 H62 Y74 V100A28-M32 WeakPolarHBondContact O-CG 3.33Å; A28-M32 PolarHBondContact O-N 2.91Å; L29-M32 HydrophobicContact CD2-CE 3.94Å; L29-M32 HydrophobicContact CG-CE 4.48Å; L29-M32 PolarHBondContact O-N 2.92Å; L29-M32 VanDerWaalsContact O-N 3.12Å; M32-K34 PolarHBondContact O-N 2.81Å; M32-N35 PolarHBondContact O-N 2.85Å; M32-N35 VanDerWaalsContact O-N 3.09Å; M32-L36 WeakPolarHBondContact O-CG 3.47Å; M32-L36 PolarHBondContact O-N 3.43Å; M32-I61 HydrophobicContact CB-CG2 3.65Å; M32-I61 HydrophobicContact CG-CG2 3.64Å; M32-I61 HydrophobicContact SD-CG2 3.74Å; M32-H62 HydrophobicContact CG-CB 4.4Å; M32-H62 HydrophobicContact SD-CB 4.47Å; M32-Y74 HydrophobicContact CE-CD1 4.27Å; M32-Y74 HydrophobicContact CG-CD1 3.66Å; M32-Y74 HydrophobicContact CG-CE1 4.08Å; M32-Y74 HydrophobicContact SD-CD1 3.74Å; M32-Y74 HydrophobicContact SD-CG 4.44Å; M32-V100 HydrophobicContact CE-CG2 3.63Å; M32-V100 HydrophobicContact SD-CG2 3.97Å
33Q98.6Very high98.5Very high52 Ų5249.3 Ų49.324%0.24323%0.233CC..Hα-helixtrans-59.7-33.9178.2-67.3-52.9-10.100112.3L29 H31 N35 L36 D37 R103L29-Q33 VanDerWaalsContact O-CG 3.25Å; L29-Q33 WeakPolarHBondContact O-CG 3.35Å; L29-Q33 PolarHBondContact O-N 3.49Å; H31-Q33 VanDerWaalsContact C-N 3.28Å; H31-Q33 PolarHBondContact O-N 2.8Å; Q33-N35 VanDerWaalsContact C-N 3.32Å; Q33-N35 PolarHBondContact O-N 2.99Å; Q33-L36 PolarHBondContact O-N 2.75Å; Q33-D37 PolarHBondContact O-N 3.29Å; Q33-R103 PolarHBondContact O-NH1 2.78Å; Q33-R103 VanDerWaalsContact O-NH1 3.17Å
34K98.7Very high98.6Very high103 Ų10349 Ų4945%0.44824%0.235SC..Hα-helixtrans-63.6-37.6176.5-62.1171.9-176178.70112.5I14 I30 H31 M32I14-K34 HydrophobicContact CD1-CB 3.78Å; I30-K34 WeakPolarHBondContact O-CG 3.35Å; H31-K34 WeakPolarHBondContact O-CB 3.33Å; H31-K34 PolarHBondContact O-N 3.05Å; H31-K34 VanDerWaalsContact O-N 3.14Å; M32-K34 PolarHBondContact O-N 2.81Å
35N98.8Very high98.6Very high0 Ų050.3 Ų50.30%023%0.233CC..Hα-helixtrans-74.2-38.9175.3-74.9-55.4000111H11 I14 M32 Q33 D37 I38 Y39 G60 I61H11-N35 PolarHBondContact NE2-OD1 3.19Å; I14-N35 PolarHBondContact N-OD1 2.9Å; I14-N35 PolarHBondContact O-ND2 3.05Å; M32-N35 PolarHBondContact O-N 2.85Å; M32-N35 VanDerWaalsContact O-N 3.09Å; Q33-N35 VanDerWaalsContact C-N 3.32Å; Q33-N35 PolarHBondContact O-N 2.99Å; N35-D37 VanDerWaalsContact C-N 3.32Å; N35-D37 PolarHBondContact O-N 2.89Å; N35-I38 WeakPolarHBondContact O-CB 3.27Å; N35-I38 PolarHBondContact O-N 3.16Å; N35-Y39 WeakPolarHBondContact O-CD1 3.41Å; N35-Y39 PolarHBondContact O-N 3.06Å; N35-Y39 VanDerWaalsContact O-N 3.1Å; N35-G60 WeakPolarHBondContact CB-O 3.06Å; N35-I61 PolarHBondContact ND2-O 3.23Å
36L98.9Very high98.7Very high0 Ų047.8 Ų47.80%022%0.224CC..Hα-helixtrans-66.3-31.3176.9-69.2167.4000113M32 Q33 I38 Y39 E40 I61 V100 L104 M107M32-L36 WeakPolarHBondContact O-CG 3.47Å; M32-L36 PolarHBondContact O-N 3.43Å; Q33-L36 PolarHBondContact O-N 2.75Å; L36-I38 VanDerWaalsContact C-N 3.28Å; L36-I38 PolarHBondContact O-N 3.45Å; L36-Y39 HydrophobicContact CD2-CD2 4.22Å; L36-Y39 WeakPolarHBondContact O-CB 3.09Å; L36-Y39 PolarHBondContact O-N 2.69Å; L36-Y39 VanDerWaalsContact O-N 3.14Å; L36-E40 PolarHBondContact O-N 3.43Å; L36-I61 HydrophobicContact CD2-CD1 3.99Å; L36-I61 HydrophobicContact CD2-CG1 4.21Å; L36-I61 HydrophobicContact CG-CG2 4.43Å; L36-V100 HydrophobicContact CD1-CG1 4.13Å; L36-V100 HydrophobicContact CD1-CG2 4.26Å; L36-L104 HydrophobicContact CD2-CD2 3.75Å; L36-L104 HydrophobicContact CD2-CG 4.2Å; L36-M107 HydrophobicContact CD2-CE 4.49Å
37D98.8Very high98.7Very high76 Ų7640 Ų4041%0.40620%0.201SC..Hα-helixtrans-57.1-45.2171.9-66.4-21.5000110.5Q33 N35 Y39 E40 E41 R103Q33-D37 PolarHBondContact O-N 3.29Å; N35-D37 VanDerWaalsContact C-N 3.32Å; N35-D37 PolarHBondContact O-N 2.89Å; D37-Y39 VanDerWaalsContact C-N 3.35Å; D37-E40 PolarHBondContact O-N 3.09Å; D37-E41 PolarHBondContact O-N 3.45Å; D37-R103 IonicContact OD1-CZ 2.73Å; D37-R103 IonicContact OD1-NH1 2.85Å; D37-R103 PolarHBondContact OD1-NH1 3.05Å; D37-R103 IonicContact OD1-NH2 3.14Å; D37-R103 PolarHBondContact OD1-NH2 2.83Å
38I98.8Very high98.7Very high41 Ų4142.3 Ų42.321%0.2121%0.211CC..Hα-helixtrans-64.8-41.8176.3-61.5167000110Y9 I14 N35 L36 E40 E41 Q42Y9-I38 HydrophobicContact CE1-CG2 3.96Å; Y9-I38 WeakPolarHBondContact OH-CG2 3.19Å; I14-I38 HydrophobicContact CD1-CD1 4.04Å; N35-I38 WeakPolarHBondContact O-CB 3.27Å; N35-I38 PolarHBondContact O-N 3.16Å; L36-I38 VanDerWaalsContact C-N 3.28Å; L36-I38 PolarHBondContact O-N 3.45Å; I38-E40 VanDerWaalsContact C-N 3.34Å; I38-E40 PolarHBondContact O-N 3.49Å; I38-E41 PolarHBondContact O-N 2.95Å; I38-Q42 HydrophobicContact CG2-CG 4.43Å; I38-Q42 WeakPolarHBondContact O-CG 3.46Å; I38-Q42 PolarHBondContact O-N 2.91Å; I38-Q42 VanDerWaalsContact O-N 3.11Å
39Y98.8Very high98.7Very high0 Ų047.2 Ų47.20%023%0.234CC..Hα-helixtrans-60.9-42.4178.8-76.819.4000111.8H11 N35 L36 D37 E41 Q42 A43 F56 G60 I61 L104 M107H11-Y39 HydrophobicContact CB-CE1 4.33Å; H11-Y39 AromaticContact CD2-CE1 3.65Å; H11-Y39 AromaticContact CG-CE1 3.76Å; H11-Y39 AromaticContact NE2-CE1 3.8Å; N35-Y39 WeakPolarHBondContact O-CD1 3.41Å; N35-Y39 PolarHBondContact O-N 3.06Å; N35-Y39 VanDerWaalsContact O-N 3.1Å; L36-Y39 HydrophobicContact CD2-CD2 4.22Å; L36-Y39 WeakPolarHBondContact O-CB 3.09Å; L36-Y39 PolarHBondContact O-N 2.69Å; L36-Y39 VanDerWaalsContact O-N 3.14Å; D37-Y39 VanDerWaalsContact C-N 3.35Å; Y39-E41 VanDerWaalsContact C-N 3.33Å; Y39-E41 PolarHBondContact O-N 2.92Å; Y39-Q42 PolarHBondContact O-N 3.46Å; Y39-Q42 VanDerWaalsContact O-N 3.17Å; Y39-A43 WeakPolarHBondContact O-CB 3.49Å; Y39-A43 PolarHBondContact O-N 2.92Å; Y39-F56 AromaticContact CD1-CD1 3.58Å; Y39-F56 HydrophobicContact CD1-CD1 3.58Å; Y39-F56 AromaticContact CD1-CE1 3.49Å; Y39-F56 HydrophobicContact CD1-CE1 3.49Å; Y39-F56 VanDerWaalsContact CD1-CE1 3.49Å; Y39-F56 HydrophobicContact CD1-CG 4.33Å; Y39-F56 HydrophobicContact CD1-CZ 4.17Å; Y39-F56 HydrophobicContact CD2-CB 4.22Å; Y39-F56 AromaticContact CD2-CD1 3.68Å; Y39-F56 HydrophobicContact CD2-CD1 3.68Å; Y39-F56 AromaticContact CD2-CD2 3.67Å; Y39-F56 HydrophobicContact CD2-CD2 3.67Å; Y39-F56 AromaticContact CD2-CE1 3.86Å; Y39-F56 HydrophobicContact CD2-CE1 3.86Å; Y39-F56 AromaticContact CD2-CE2 3.83Å; Y39-F56 HydrophobicContact CD2-CE2 3.83Å; Y39-F56 AromaticContact CD2-CG 3.58Å; Y39-F56 HydrophobicContact CD2-CG 3.58Å; Y39-F56 AromaticContact CD2-CZ 3.91Å; Y39-F56 HydrophobicContact CD2-CZ 3.91Å; Y39-F56 HydrophobicContact CE1-CB 4.49Å; Y39-F56 AromaticContact CE1-CD1 3.51Å; Y39-F56 HydrophobicContact CE1-CD1 3.51Å; Y39-F56 AromaticContact CE1-CE1 3.93Å; Y39-F56 HydrophobicContact CE1-CE1 3.93Å; Y39-F56 HydrophobicContact CE1-CG 4.15Å; Y39-F56 HydrophobicContact CE2-CB 3.51Å; Y39-F56 AromaticContact CE2-CD1 3.62Å; Y39-F56 HydrophobicContact CE2-CD1 3.62Å; Y39-F56 AromaticContact CE2-CD2 3.86Å; Y39-F56 HydrophobicContact CE2-CD2 3.86Å; Y39-F56 HydrophobicContact CE2-CE1 4.27Å; Y39-F56 HydrophobicContact CE2-CE2 4.46Å; Y39-F56 AromaticContact CE2-CG 3.38Å; Y39-F56 HydrophobicContact CE2-CG 3.38Å; Y39-F56 AromaticContact CG-CD1 3.66Å; Y39-F56 HydrophobicContact CG-CD1 3.66Å; Y39-F56 HydrophobicContact CG-CD2 4.25Å; Y39-F56 AromaticContact CG-CE1 3.44Å; Y39-F56 HydrophobicContact CG-CE1 3.44Å; Y39-F56 VanDerWaalsContact CG-CE1 3.44Å; Y39-F56 HydrophobicContact CG-CE2 4.04Å; Y39-F56 HydrophobicContact CG-CG 4.06Å; Y39-F56 AromaticContact CG-CZ 3.63Å; Y39-F56 HydrophobicContact CG-CZ 3.63Å; Y39-F56 AromaticContact CZ-CD1 3.52Å; Y39-F56 AromaticContact CZ-CG 3.68Å; Y39-G60 VanDerWaalsContact OH-C 3.24Å; Y39-G60 WeakPolarHBondContact OH-CA 3.17Å; Y39-G60 PolarHBondContact OH-O 2.69Å; Y39-I61 HydrophobicContact CE2-CD1 4.29Å; Y39-I61 HydrophobicContact CE2-CG1 3.79Å; Y39-L104 HydrophobicContact CD2-CD2 4.45Å; Y39-M107 VanDerWaalsContact C-SD 3.56Å
40E98.8Very high98.7Very high52 Ų5253.7 Ų53.724%0.24326%0.261CS..Hα-helixtrans-59.7-42.7177.2-76-174.4170.100111.9L36 D37 I38 Q42 A43 A44 R103 M107L36-E40 PolarHBondContact O-N 3.43Å; D37-E40 PolarHBondContact O-N 3.09Å; I38-E40 VanDerWaalsContact C-N 3.34Å; I38-E40 PolarHBondContact O-N 3.49Å; E40-Q42 VanDerWaalsContact C-N 3.34Å; E40-Q42 PolarHBondContact O-N 2.91Å; E40-A43 PolarHBondContact O-N 3.19Å; E40-A44 PolarHBondContact O-N 3.37Å; E40-R103 VanDerWaalsContact CD-NE 3.35Å; E40-R103 WeakPolarHBondContact OE1-CG 3.21Å; E40-R103 IonicContact OE1-CZ 3.04Å; E40-R103 IonicContact OE1-NE 3.77Å; E40-R103 PolarHBondContact OE1-NE 2.8Å; E40-R103 IonicContact OE1-NH2 3.84Å; E40-R103 PolarHBondContact OE1-NH2 2.65Å; E40-R103 IonicContact OE2-CZ 2.77Å; E40-R103 IonicContact OE2-NE 3.42Å; E40-R103 IonicContact OE2-NH2 3.47Å; E40-R103 PolarHBondContact OE2-NH2 3.33Å; E40-M107 HydrophobicContact CB-CE 4.29Å; E40-M107 HydrophobicContact CG-CE 3.39Å; E40-M107 HydrophobicContact CG-CG 4.07Å; E40-M107 HydrophobicContact CG-SD 4.09Å
41E98.7Very high98.7Very high110 Ų11049.5 Ų49.551%0.51424%0.24SC..Hα-helixtrans-61.3-42.8175.5-68-175.3-171.100112.2D37 I38 Y39 A44 K45D37-E41 PolarHBondContact O-N 3.45Å; I38-E41 PolarHBondContact O-N 2.95Å; Y39-E41 VanDerWaalsContact C-N 3.33Å; Y39-E41 PolarHBondContact O-N 2.92Å; E41-A44 PolarHBondContact O-N 3.29Å; E41-K45 WeakPolarHBondContact O-CG 3.36Å; E41-K45 PolarHBondContact O-N 3.47Å; E41-K45 IonicContact OE2-NZ 3.83Å
42Q98.8Very high98.7Very high17 Ų1753 Ų538%0.07926%0.255CS..Hα-helixtrans-73.1-34.1-179.3-56.6-51.2-44.100112.1Y9 I38 Y39 E40 A44 K45 A46 F56Y9-Q42 HydrophobicContact CD1-CG 3.99Å; Y9-Q42 HydrophobicContact CD2-CB 4.24Å; Y9-Q42 HydrophobicContact CD2-CG 3.68Å; Y9-Q42 HydrophobicContact CE1-CG 3.75Å; Y9-Q42 VanDerWaalsContact CE2-CD 3.48Å; Y9-Q42 HydrophobicContact CE2-CG 3.48Å; Y9-Q42 VanDerWaalsContact CE2-CG 3.48Å; Y9-Q42 HydrophobicContact CG-CB 4.26Å; Y9-Q42 HydrophobicContact CG-CG 3.94Å; I38-Q42 HydrophobicContact CG2-CG 4.43Å; I38-Q42 WeakPolarHBondContact O-CG 3.46Å; I38-Q42 PolarHBondContact O-N 2.91Å; I38-Q42 VanDerWaalsContact O-N 3.11Å; Y39-Q42 PolarHBondContact O-N 3.46Å; Y39-Q42 VanDerWaalsContact O-N 3.17Å; E40-Q42 VanDerWaalsContact C-N 3.34Å; E40-Q42 PolarHBondContact O-N 2.91Å; Q42-A44 VanDerWaalsContact C-N 3.34Å; Q42-K45 PolarHBondContact O-N 2.99Å; Q42-A46 VanDerWaalsContact O-CB 3.29Å; Q42-A46 WeakPolarHBondContact O-CB 3.4Å; Q42-A46 PolarHBondContact O-N 2.86Å; Q42-F56 HydrophobicContact CB-CE1 4.32Å; Q42-F56 HydrophobicContact CB-CZ 4.48Å
43A98.9Very high98.7Very high0 Ų053 Ų530%026%0.255CS..Hα-helixtrans-60.6-44.3171.800000111.1Y39 E40 A46 A47 L54 M107Y39-A43 WeakPolarHBondContact O-CB 3.49Å; Y39-A43 PolarHBondContact O-N 2.92Å; E40-A43 PolarHBondContact O-N 3.19Å; A43-A46 PolarHBondContact O-N 2.92Å; A43-A47 WeakPolarHBondContact O-CB 3.24Å; A43-A47 PolarHBondContact O-N 3.28Å; A43-L54 HydrophobicContact CB-CD2 4.05Å; A43-M107 HydrophobicContact CB-CG 3.61Å; A43-M107 HydrophobicContact CB-SD 3.69Å
44A98.8Very high98.7Very high32 Ų3250.5 Ų50.526%0.26424%0.244SC..Hα-helixtrans-62.4-44.8174.500000112.2E40 E41 Q42 A46 A47 Q48 N111E40-A44 PolarHBondContact O-N 3.37Å; E41-A44 PolarHBondContact O-N 3.29Å; Q42-A44 VanDerWaalsContact C-N 3.34Å; A44-A46 PolarHBondContact O-N 2.86Å; A44-A47 PolarHBondContact O-N 3.17Å; A44-Q48 VanDerWaalsContact O-CG 3.28Å; A44-Q48 WeakPolarHBondContact O-CG 3.28Å; A44-Q48 PolarHBondContact O-N 3.09Å; A44-N111 VanDerWaalsContact CA-OD1 3.31Å; A44-N111 WeakPolarHBondContact CA-OD1 3.41Å
45K98.8Very high98.7Very high84 Ų8445.6 Ų45.637%0.36522%0.222SC..Hα-helixtrans-64.3-37.2176.9-71.7168.7-172.6162.60112.7E41 Q42 Q49 L282E41-K45 WeakPolarHBondContact O-CG 3.36Å; E41-K45 PolarHBondContact O-N 3.47Å; E41-K45 IonicContact OE2-NZ 3.83Å; Q42-K45 PolarHBondContact O-N 2.99Å; K45-Q49 WeakPolarHBondContact O-CG 3.41Å; K45-Q49 PolarHBondContact O-N 2.94Å; K45-Q49 PolarHBondContact O-NE2 2.8Å; K45-L282 HydrophobicContact CB-CD2 3.7Å
46A98.8Very high98.8Very high0 Ų045.6 Ų45.60%022%0.222CC..Hα-helixtrans-67.9-43.8175.300000111A7 Q42 A43 A44 Q48 Q49 K50 A51 L54 L113 L282A7-A46 HydrophobicContact CB-CB 3.98Å; Q42-A46 VanDerWaalsContact O-CB 3.29Å; Q42-A46 WeakPolarHBondContact O-CB 3.4Å; Q42-A46 PolarHBondContact O-N 2.86Å; A43-A46 PolarHBondContact O-N 2.92Å; A44-A46 PolarHBondContact O-N 2.86Å; A46-Q48 PolarHBondContact O-N 3.22Å; A46-Q49 CarbonylContact O-C 3.55Å; A46-Q49 WeakPolarHBondContact O-CA 3.39Å; A46-Q49 PolarHBondContact O-N 2.8Å; A46-K50 PolarHBondContact O-N 3.05Å; A46-A51 HydrophobicContact CB-CB 4.04Å; A46-A51 WeakPolarHBondContact O-CB 3.49Å; A46-A51 PolarHBondContact O-N 3.31Å; A46-L54 HydrophobicContact CB-CD1 4.44Å; A46-L54 HydrophobicContact CB-CD2 4.09Å; A46-L113 HydrophobicContact CB-CD2 4.47Å; A46-L282 HydrophobicContact CB-CD1 4.41Å; A46-L282 HydrophobicContact CB-CD2 4.27Å
47A98.5Very high98.8Very high30 Ų3045.6 Ų45.625%0.24822%0.222CC..Hα-helixtrans-61.8-41.2176.600000112.6A43 A44 Q49 K50 N111 L113A43-A47 WeakPolarHBondContact O-CB 3.24Å; A43-A47 PolarHBondContact O-N 3.28Å; A44-A47 PolarHBondContact O-N 3.17Å; A47-Q49 PolarHBondContact O-N 3.04Å; A47-K50 WeakPolarHBondContact O-CA 3.48Å; A47-K50 PolarHBondContact O-N 2.02Å; A47-N111 HydrophobicContact CB-CB 3.94Å; A47-L113 HydrophobicContact CB-CD2 4.15Å
48Q98.5Very high98.8Very high154 Ų15442.1 Ų42.172%0.7220%0.204SC*.Hα-helixtrans-58.3-33.8173.3-74170.711.600112.2A44 A46 K50A44-Q48 VanDerWaalsContact O-CG 3.28Å; A44-Q48 WeakPolarHBondContact O-CG 3.28Å; A44-Q48 PolarHBondContact O-N 3.09Å; A46-Q48 PolarHBondContact O-N 3.22Å; Q48-K50 PolarHBondContact O-N 2.83Å
49Q98.6Very high98.8Very high104 Ų10440.7 Ų40.749%0.48620%0.197SC..THydrogen-bonded Turntrans-86.811.2174.5-66178.777.300113.3K45 A46 A47 A51 V284K45-Q49 WeakPolarHBondContact O-CG 3.41Å; K45-Q49 PolarHBondContact O-N 2.94Å; K45-Q49 PolarHBondContact O-NE2 2.8Å; A46-Q49 CarbonylContact O-C 3.55Å; A46-Q49 WeakPolarHBondContact O-CA 3.39Å; A46-Q49 PolarHBondContact O-N 2.8Å; A47-Q49 PolarHBondContact O-N 3.04Å; Q49-A51 VanDerWaalsContact C-N 3.27Å; Q49-A51 PolarHBondContact O-N 3.31Å; Q49-V284 HydrophobicContact CB-CB 4.42Å; Q49-V284 HydrophobicContact CB-CG1 3.9Å; Q49-V284 HydrophobicContact CB-CG2 4.33Å
50K98.3Very high98.7Very high160 Ų16040.7 Ų40.770%0.69620%0.197SC*.THydrogen-bonded Turntrans6325.7176.4-52.4176.9-179.6176.70114.2A46 A47 Q48A46-K50 PolarHBondContact O-N 3.05Å; A47-K50 WeakPolarHBondContact O-CA 3.48Å; A47-K50 PolarHBondContact O-N 2.02Å; Q48-K50 PolarHBondContact O-N 2.83Å
51A98.7Very high98.7Very high4 Ų438.2 Ų38.23%0.03319%0.185CC..  trans-60.3138.2173.400000110.7V5 A7 A46 Q49 V284V5-A51 HydrophobicContact CG1-CB 4.19Å; V5-A51 WeakPolarHBondContact O-CA 3.36Å; A7-A51 HydrophobicContact CB-CB 3.8Å; A46-A51 HydrophobicContact CB-CB 4.04Å; A46-A51 WeakPolarHBondContact O-CB 3.49Å; A46-A51 PolarHBondContact O-N 3.31Å; Q49-A51 VanDerWaalsContact C-N 3.27Å; Q49-A51 PolarHBondContact O-N 3.31Å; A51-V284 HydrophobicContact CB-CG1 4.4Å
52K98.6Very high98.7Very high93 Ų9333 Ų3340%0.40416%0.161SC..SBendtrans-94.9-23.2177.5-63.6-56.9-173.6-179.60112.6V5 Y114 F184V5-K52 PolarHBondContact O-N 3.24Å; K52-Y114 PolarHBondContact O-N 2.63Å; K52-F184 HydrophobicContact CB-CD1 3.9Å; K52-F184 HydrophobicContact CB-CD2 4.08Å; K52-F184 HydrophobicContact CB-CE1 3.84Å; K52-F184 HydrophobicContact CB-CE2 4.04Å; K52-F184 HydrophobicContact CB-CG 4.03Å; K52-F184 HydrophobicContact CB-CZ 3.92Å; K52-F184 HydrophobicContact CG-CD1 4.4Å; K52-F184 HydrophobicContact CG-CG 4.37Å
53I98.9Very high98.7Very high0 Ų032.3 Ų32.30%016%0.158CC..EExtended strand (participates in β ladder)trans-140.4138.6175.2-173.5167.1000109.4Y4 A6 A7 V55 Y114 V116 F180 F184 F188 V215 L245Y4-I53 HydrophobicContact CD2-CG2 4.26Å; Y4-I53 HydrophobicContact CE2-CG2 3.9Å; A6-I53 HydrophobicContact CB-CG2 3.98Å; A7-I53 PolarHBondContact N-O 2.73Å; I53-V55 HydrophobicContact CG1-CG2 4.48Å; I53-Y114 CarbonylContact C-O 3.14Å; I53-Y114 VanDerWaalsContact CA-O 3.24Å; I53-Y114 WeakPolarHBondContact CA-O 3.36Å; I53-V116 HydrophobicContact CD1-CG2 4.3Å; I53-F180 HydrophobicContact CD1-CE2 4.42Å; I53-F180 HydrophobicContact CD1-CZ 4.09Å; I53-F184 HydrophobicContact CB-CE2 4.49Å; I53-F184 HydrophobicContact CB-CZ 4.18Å; I53-F184 HydrophobicContact CG2-CE2 4.41Å; I53-F188 HydrophobicContact CD1-CE1 4.49Å; I53-V215 HydrophobicContact CD1-CG2 3.93Å; I53-L245 HydrophobicContact CD1-CD1 4.35Å; I53-L245 HydrophobicContact CG2-CD1 3.81Å
54L98.9Very high98.6Very high0 Ų033.5 Ų33.50%016%0.163CC..EExtended strand (participates in β ladder)trans-124128.8170.6175.659.7000109.4A7 A43 A46 F56 L113 Y114 L115 V116 L282A7-L54 HydrophobicContact CB-CB 4.41Å; A7-L54 HydrophobicContact CB-CD1 3.61Å; A7-L54 WeakPolarHBondContact O-CA 3.35Å; A43-L54 HydrophobicContact CB-CD2 4.05Å; A46-L54 HydrophobicContact CB-CD1 4.44Å; A46-L54 HydrophobicContact CB-CD2 4.09Å; L54-F56 HydrophobicContact CD2-CE1 4.24Å; L54-F56 HydrophobicContact CD2-CE2 3.65Å; L54-F56 HydrophobicContact CD2-CZ 3.42Å; L54-F56 VanDerWaalsContact CD2-CZ 3.42Å; L54-F56 HydrophobicContact CG-CD2 4.43Å; L54-F56 HydrophobicContact CG-CE2 3.89Å; L54-F56 HydrophobicContact CG-CZ 3.98Å; L54-L113 HydrophobicContact CB-CD1 4.11Å; L54-Y114 PolarHBondContact N-O 2.88Å; L54-L115 WeakPolarHBondContact O-CA 3.45Å; L54-V116 PolarHBondContact O-N 2.59Å; L54-L282 HydrophobicContact CD1-CD1 3.84Å
55V98.9Very high98.5Very high0 Ų037 Ų370%018%0.177CC..EExtended strand (participates in β ladder)trans-109.2135.2177.1-1740000109.4A7 V8 Y9 I53 V215 L245 S247A7-V55 PolarHBondContact O-N 2.96Å; V8-V55 HydrophobicContact CG1-CB 4.18Å; V8-V55 HydrophobicContact CG1-CG2 4.43Å; Y9-V55 PolarHBondContact N-O 2.93Å; Y9-V55 VanDerWaalsContact N-O 3.09Å; I53-V55 HydrophobicContact CG1-CG2 4.48Å; V55-V215 HydrophobicContact CB-CG1 4.16Å; V55-V215 HydrophobicContact CG1-CG1 3.47Å; V55-V215 VanDerWaalsContact CG1-CG1 3.47Å; V55-V215 HydrophobicContact CG2-CB 4.47Å; V55-V215 HydrophobicContact CG2-CG1 3.56Å; V55-V215 HydrophobicContact CG2-CG2 4.29Å; V55-L245 HydrophobicContact CG2-CB 3.92Å; V55-L245 HydrophobicContact CG2-CD1 4.14Å; V55-S247 PolarHBondContact O-OG 2.78Å
56F98.9Very high98.4Very high0 Ų033.2 Ų33.20%016%0.161CC..  trans-108.5157.8171.5-70.2-73.8000112.1Y9 Y39 Q42 L54 M107 L115 V116 A117 S217Y9-F56 AromaticContact CD1-CD1 3.82Å; Y9-F56 HydrophobicContact CD1-CD1 3.82Å; Y9-F56 AromaticContact CD1-CE1 3.71Å; Y9-F56 HydrophobicContact CD1-CE1 3.71Å; Y9-F56 HydrophobicContact CG-CD1 4.36Å; Y9-F56 HydrophobicContact CG-CE1 4.14Å; Y39-F56 AromaticContact CD1-CD1 3.58Å; Y39-F56 HydrophobicContact CD1-CD1 3.58Å; Y39-F56 AromaticContact CD1-CE1 3.49Å; Y39-F56 HydrophobicContact CD1-CE1 3.49Å; Y39-F56 VanDerWaalsContact CD1-CE1 3.49Å; Y39-F56 HydrophobicContact CD1-CG 4.33Å; Y39-F56 HydrophobicContact CD1-CZ 4.17Å; Y39-F56 HydrophobicContact CD2-CB 4.22Å; Y39-F56 AromaticContact CD2-CD1 3.68Å; Y39-F56 HydrophobicContact CD2-CD1 3.68Å; Y39-F56 AromaticContact CD2-CD2 3.67Å; Y39-F56 HydrophobicContact CD2-CD2 3.67Å; Y39-F56 AromaticContact CD2-CE1 3.86Å; Y39-F56 HydrophobicContact CD2-CE1 3.86Å; Y39-F56 AromaticContact CD2-CE2 3.83Å; Y39-F56 HydrophobicContact CD2-CE2 3.83Å; Y39-F56 AromaticContact CD2-CG 3.58Å; Y39-F56 HydrophobicContact CD2-CG 3.58Å; Y39-F56 AromaticContact CD2-CZ 3.91Å; Y39-F56 HydrophobicContact CD2-CZ 3.91Å; Y39-F56 HydrophobicContact CE1-CB 4.49Å; Y39-F56 AromaticContact CE1-CD1 3.51Å; Y39-F56 HydrophobicContact CE1-CD1 3.51Å; Y39-F56 AromaticContact CE1-CE1 3.93Å; Y39-F56 HydrophobicContact CE1-CE1 3.93Å; Y39-F56 HydrophobicContact CE1-CG 4.15Å; Y39-F56 HydrophobicContact CE2-CB 3.51Å; Y39-F56 AromaticContact CE2-CD1 3.62Å; Y39-F56 HydrophobicContact CE2-CD1 3.62Å; Y39-F56 AromaticContact CE2-CD2 3.86Å; Y39-F56 HydrophobicContact CE2-CD2 3.86Å; Y39-F56 HydrophobicContact CE2-CE1 4.27Å; Y39-F56 HydrophobicContact CE2-CE2 4.46Å; Y39-F56 AromaticContact CE2-CG 3.38Å; Y39-F56 HydrophobicContact CE2-CG 3.38Å; Y39-F56 AromaticContact CG-CD1 3.66Å; Y39-F56 HydrophobicContact CG-CD1 3.66Å; Y39-F56 HydrophobicContact CG-CD2 4.25Å; Y39-F56 AromaticContact CG-CE1 3.44Å; Y39-F56 HydrophobicContact CG-CE1 3.44Å; Y39-F56 VanDerWaalsContact CG-CE1 3.44Å; Y39-F56 HydrophobicContact CG-CE2 4.04Å; Y39-F56 HydrophobicContact CG-CG 4.06Å; Y39-F56 AromaticContact CG-CZ 3.63Å; Y39-F56 HydrophobicContact CG-CZ 3.63Å; Y39-F56 AromaticContact CZ-CD1 3.52Å; Y39-F56 AromaticContact CZ-CG 3.68Å; Q42-F56 HydrophobicContact CB-CE1 4.32Å; Q42-F56 HydrophobicContact CB-CZ 4.48Å; L54-F56 HydrophobicContact CD2-CE1 4.24Å; L54-F56 HydrophobicContact CD2-CE2 3.65Å; L54-F56 HydrophobicContact CD2-CZ 3.42Å; L54-F56 VanDerWaalsContact CD2-CZ 3.42Å; L54-F56 HydrophobicContact CG-CD2 4.43Å; L54-F56 HydrophobicContact CG-CE2 3.89Å; L54-F56 HydrophobicContact CG-CZ 3.98Å; F56-M107 HydrophobicContact CE2-SD 4.41Å; F56-L115 HydrophobicContact CD2-CD2 4.25Å; F56-L115 HydrophobicContact CD2-CG 4.31Å; F56-L115 HydrophobicContact CE2-CD1 4Å; F56-L115 HydrophobicContact CE2-CD2 4.36Å; F56-L115 HydrophobicContact CE2-CG 4.07Å; F56-V116 PolarHBondContact N-O 3.5Å; F56-A117 HydrophobicContact CB-CB 4.43Å; F56-A117 HydrophobicContact CD2-CB 4.49Å; F56-S217 WeakPolarHBondContact O-CB 3.46Å; F56-S217 PolarHBondContact O-OG 2.83Å
57P98.9Very high98.4Very high0 Ų034 Ų340%017%0.165CC..  trans-71164.5-176-20.936.3000114.4Y9 H11 N118 S247 N248 L249Y9-P57 VanDerWaalsContact O-CD 3.31Å; Y9-P57 WeakPolarHBondContact O-CD 3.5Å; Y9-P57 WeakPolarHBondContact O-CG 3.27Å; H11-P57 HydrophobicContact CB-CG 3.77Å; P57-N118 WeakPolarHBondContact O-CB 3.4Å; P57-S247 WeakPolarHBondContact CA-O 3.37Å; P57-S247 WeakPolarHBondContact CB-O 3.35Å; P57-N248 VanDerWaalsContact CG-C 3.49Å; P57-N248 WeakPolarHBondContact CG-O 3.26Å; P57-L249 HydrophobicContact CB-CD2 3.67Å; P57-L249 HydrophobicContact CB-CG 4.08Å; P57-L249 HydrophobicContact CG-CD2 4.18Å
58E98.9Very high98.3Very high3 Ų335 Ų351%0.01416%0.163CC..THydrogen-bonded Turntrans-62.7145.5165177.9-174.2-140.800110.3G60 N143 K160 I192 C193 T218 A219 L249E58-G60 PolarHBondContact O-N 2.97Å; E58-N143 PolarHBondContact OE1-ND2 3.46Å; E58-K160 WeakPolarHBondContact OE1-CE 3.35Å; E58-K160 IonicContact OE1-NZ 3.84Å; E58-K160 PolarHBondContact OE1-NZ 3.08Å; E58-I192 HydrophobicContact CB-CG2 4.24Å; E58-I192 HydrophobicContact CG-CG2 3.9Å; E58-I192 WeakPolarHBondContact OE1-CG2 3.41Å; E58-C193 WeakPolarHBondContact OE2-CB 3.45Å; E58-C193 PolarHBondContact OE2-SG 3.44Å; E58-T218 VanDerWaalsContact CB-C 3.47Å; E58-A219 HydrophobicContact CB-CB 4.21Å; E58-A219 HydrophobicContact CG-CB 4.31Å; E58-A219 WeakPolarHBondContact OE2-CB 3.44Å; E58-A219 PolarHBondContact OE2-N 3.06Å; E58-L249 WeakPolarHBondContact O-CG 3.48Å
59D98.7Very high98.2Very high12 Ų1231.3 Ų31.36%0.06415%0.154CC..THydrogen-bonded Turntrans56.111.3-179.7-64-34.9000114.6I61 H62 G63 F64 N118 L249D59-I61 PolarHBondContact O-N 3.37Å; D59-H62 PolarHBondContact O-N 2.88Å; D59-H62 IonicContact OD1-CE1 2.79Å; D59-H62 PolarHBondContact OD1-CE1 2.9Å; D59-H62 IonicContact OD1-NE2 3.19Å; D59-G63 VanDerWaalsContact O-CA 3.28Å; D59-G63 WeakPolarHBondContact O-CA 2.85Å; D59-G63 PolarHBondContact O-N 2.89Å; D59-F64 HydrophobicContact CB-CD1 4.41Å; D59-N118 PolarHBondContact N-OD1 2.95Å; D59-L249 HydrophobicContact CB-CD1 4.37Å
60G98.4Very high98.2Very high0 Ų026.3 Ų26.30%013%0.131CC..THydrogen-bonded Turntrans-73.6-11.9-170.400000114.6H11 N35 Y39 E58H11-G60 PolarHBondContact CD2-O 3.46Å; H11-G60 PolarHBondContact NE2-O 2.59Å; N35-G60 WeakPolarHBondContact CB-O 3.06Å; Y39-G60 VanDerWaalsContact OH-C 3.24Å; Y39-G60 WeakPolarHBondContact OH-CA 3.17Å; Y39-G60 PolarHBondContact OH-O 2.69Å; E58-G60 PolarHBondContact O-N 2.97Å
61I98.7Very high98.2Very high0 Ų018.7 Ų18.70%010%0.097CC..THydrogen-bonded Turntrans-93.3-39.2177.7-63.7176.2000111.6M32 N35 L36 Y39 D59 V100 L104 A117 N118 M119M32-I61 HydrophobicContact CB-CG2 3.65Å; M32-I61 HydrophobicContact CG-CG2 3.64Å; M32-I61 HydrophobicContact SD-CG2 3.74Å; N35-I61 PolarHBondContact ND2-O 3.23Å; L36-I61 HydrophobicContact CD2-CD1 3.99Å; L36-I61 HydrophobicContact CD2-CG1 4.21Å; L36-I61 HydrophobicContact CG-CG2 4.43Å; Y39-I61 HydrophobicContact CE2-CD1 4.29Å; Y39-I61 HydrophobicContact CE2-CG1 3.79Å; D59-I61 PolarHBondContact O-N 3.37Å; I61-V100 HydrophobicContact CD1-CG1 4.09Å; I61-V100 HydrophobicContact CG2-CG1 4.49Å; I61-L104 HydrophobicContact CD1-CD1 4.15Å; I61-L104 HydrophobicContact CD1-CD2 4.44Å; I61-A117 HydrophobicContact CD1-CB 4.43Å; I61-N118 WeakPolarHBondContact CD1-O 3.48Å; I61-M119 HydrophobicContact CD1-CB 4.27Å
62H98.2Very high98.1Very high1 Ų121.4 Ų21.41%0.00512%0.116CC..THydrogen-bonded Turntrans-120.5-17.3-17154.385.6000115H31 M32 D59 F66 Y74 P120H31-H62 PolarHBondContact CE1-O 3.11Å; M32-H62 HydrophobicContact CG-CB 4.4Å; M32-H62 HydrophobicContact SD-CB 4.47Å; D59-H62 PolarHBondContact O-N 2.88Å; D59-H62 IonicContact OD1-CE1 2.79Å; D59-H62 PolarHBondContact OD1-CE1 2.9Å; D59-H62 IonicContact OD1-NE2 3.19Å; H62-F66 WeakPolarHBondContact O-CE2 3.34Å; H62-F66 WeakPolarHBondContact O-CZ 2.86Å; H62-Y74 HydrophobicContact CB-CD1 3.56Å; H62-Y74 HydrophobicContact CB-CE1 4.15Å; H62-Y74 HydrophobicContact CB-CG 4.19Å; H62-P120 VanDerWaalsContact CD2-CD 3.42Å; H62-P120 WeakPolarHBondContact CD2-CD 3.39Å; H62-P120 WeakPolarHBondContact NE2-CD 3.48Å
63G97.9Very high98Very high1 Ų117.3 Ų17.31%0.0110%0.1CC..  trans79.2-167.5-171.800000112.9D59 F66D59-G63 VanDerWaalsContact O-CA 3.28Å; D59-G63 WeakPolarHBondContact O-CA 2.85Å; D59-G63 PolarHBondContact O-N 2.89Å; G63-F66 WeakPolarHBondContact O-CE2 3.24Å
64F97.3Very high98Very high26 Ų2617.5 Ų17.511%0.11410%0.101CC..SBendtrans-128.3-176.9-170.845.5-97.7000112.2L15 P19 D59 L249 H254 M256L15-F64 HydrophobicContact CD1-CZ 4.3Å; L15-F64 HydrophobicContact CD2-CD1 4.4Å; L15-F64 HydrophobicContact CD2-CE1 4.05Å; L15-F64 HydrophobicContact CD2-CZ 4.31Å; P19-F64 WeakPolarHBondContact CB-O 3.39Å; D59-F64 HydrophobicContact CB-CD1 4.41Å; F64-L249 HydrophobicContact CD1-CD1 4.05Å; F64-L249 HydrophobicContact CE1-CD1 3.85Å; F64-H254 AromaticContact CE2-CE1 3.85Å; F64-H254 AromaticContact CE2-NE2 3.92Å; F64-H254 AromaticContact CZ-ND1 3.86Å; F64-M256 HydrophobicContact CE1-CE 4.05Å; F64-M256 HydrophobicContact CE1-SD 3.92Å; F64-M256 HydrophobicContact CZ-CE 4.12Å; F64-M256 HydrophobicContact CZ-SD 4.15Å
65N96.4Very high97.9Very high104 Ų10418 Ų1856%0.55610%0.103SC*.  trans68.732.3-178-61.7-23.8000115.7P19 R20P19-N65 WeakPolarHBondContact CB-O 3.21Å; P19-N65 HydrophobicContact CG-CB 3.92Å; P19-N65 WeakPolarHBondContact CG-O 3.34Å; R20-N65 WeakPolarHBondContact CG-O 3.29Å
66F98.2Very high97.9Very high5 Ų518.1 Ų18.12%0.02210%0.104CC..  trans-81.6153.9170.5-65.8-92.1000111.8N16 P19 H62 G63 I71 Y74 S168N16-F66 HydrophobicContact CB-CZ 4.35Å; P19-F66 HydrophobicContact CB-CD1 4.12Å; P19-F66 HydrophobicContact CB-CD2 4.33Å; P19-F66 HydrophobicContact CB-CE1 4.05Å; P19-F66 HydrophobicContact CB-CE2 4.27Å; P19-F66 HydrophobicContact CB-CG 4.24Å; P19-F66 HydrophobicContact CB-CZ 4.13Å; P19-F66 WeakPolarHBondContact O-CD1 3.28Å; H62-F66 WeakPolarHBondContact O-CE2 3.34Å; H62-F66 WeakPolarHBondContact O-CZ 2.86Å; G63-F66 WeakPolarHBondContact O-CE2 3.24Å; F66-I71 HydrophobicContact CB-CB 3.72Å; F66-I71 HydrophobicContact CB-CD1 4.17Å; F66-I71 HydrophobicContact CB-CG1 4.2Å; F66-I71 HydrophobicContact CD1-CB 4.21Å; F66-I71 HydrophobicContact CD1-CG1 4.48Å; F66-I71 HydrophobicContact CD2-CD1 4.37Å; F66-I71 HydrophobicContact CG-CB 4.04Å; F66-I71 HydrophobicContact CG-CD1 4.33Å; F66-I71 HydrophobicContact CG-CG1 4.16Å; F66-Y74 HydrophobicContact CD1-CD2 4.49Å; F66-Y74 HydrophobicContact CD1-CE2 4.38Å; F66-Y74 AromaticContact CE1-CD2 3.84Å; F66-Y74 HydrophobicContact CE1-CD2 3.84Å; F66-Y74 AromaticContact CE1-CE2 3.44Å; F66-Y74 HydrophobicContact CE1-CE2 3.44Å; F66-Y74 VanDerWaalsContact CE1-CE2 3.44Å; F66-Y74 AromaticContact CE1-CZ 3.93Å; F66-Y74 HydrophobicContact CZ-CD2 4.24Å; F66-Y74 HydrophobicContact CZ-CE1 4.4Å; F66-Y74 AromaticContact CZ-CE2 3.91Å; F66-Y74 HydrophobicContact CZ-CE2 3.91Å; F66-Y74 AromaticContact CZ-CZ 3.99Å; F66-S168 PolarHBondContact O-OG 3.31Å
67T97.9Very high97.8Very high16 Ų1621.1 Ų21.110%0.09812%0.122CC..  trans-89.6167.1162.665.90000109.3R20 S69 S70 I71R20-T67 HydrophobicContact CB-CG2 4.19Å; R20-T67 HydrophobicContact CG-CG2 4.17Å; T67-S69 PolarHBondContact O-N 2.98Å; T67-S69 PolarHBondContact OG1-OG 3.45Å; T67-S70 PolarHBondContact N-OG 3.01Å; T67-S70 PolarHBondContact O-N 2.89Å; T67-S70 PolarHBondContact O-OG 3.1Å; T67-S70 WeakPolarHBondContact OG1-CB 3.42Å; T67-S70 PolarHBondContact OG1-N 3.01Å; T67-S70 PolarHBondContact OG1-OG 3.24Å; T67-I71 WeakPolarHBondContact O-CG2 3.37Å; T67-I71 PolarHBondContact O-N 3.09Å
68R96.1Very high97.8Very high53 Ų5321.1 Ų21.120%0.212%0.122CC..THydrogen-bonded Turntrans-51.4-40.1174.9-157.6-171.9148.768.523112.7I71 D137 H139 Q141 D170R68-I71 WeakPolarHBondContact O-CG2 3.21Å; R68-D137 IonicContact CZ-OD1 3.95Å; R68-D137 IonicContact CZ-OD2 2.76Å; R68-D137 VanDerWaalsContact NE-CG 3.35Å; R68-D137 IonicContact NE-OD1 3.76Å; R68-D137 PolarHBondContact NE-OD1 2.88Å; R68-D137 IonicContact NE-OD2 2.78Å; R68-D137 PolarHBondContact NE-OD2 2.97Å; R68-D137 IonicContact NH2-OD1 2.66Å; R68-D137 PolarHBondContact NH2-OD1 2.92Å; R68-D137 IonicContact NH2-OD2 3.7Å; R68-D137 PolarHBondContact NH2-OD2 2.98Å; R68-H139 PolarHBondContact NH2-CD2 2.79Å; R68-H139 PolarHBondContact NH2-CE1 3.08Å; R68-H139 VanDerWaalsContact NH2-CE1 3.32Å; R68-H139 PolarHBondContact NH2-NE2 2.69Å; R68-H139 VanDerWaalsContact NH2-NE2 3.14Å; R68-H139 PolarHBondContact NH2-O 3.24Å; R68-Q141 PolarHBondContact O-NE2 3.11Å; R68-Q141 VanDerWaalsContact O-NE2 3.17Å; R68-Q141 PolarHBondContact O-OE1 3.22Å; R68-D170 IonicContact NH1-OD1 2.66Å; R68-D170 PolarHBondContact NH1-OD1 3.14Å; R68-D170 IonicContact NH1-OD2 3.37Å; R68-D170 PolarHBondContact NH1-OD2 2.84Å
69S96.4Very high97.7Very high75 Ų7522 Ų2252%0.52413%0.128SC..THydrogen-bonded Turntrans-79.4-36.7179.258.10000114T67 S72T67-S69 PolarHBondContact O-N 2.98Å; T67-S69 PolarHBondContact OG1-OG 3.45Å; S69-S72 PolarHBondContact O-OG 3.48Å
70S98Very high97.6Very high0 Ų023.1 Ų23.10%013%0.134CC..THydrogen-bonded Turntrans-78.2-21.8-173.471.10000113.9P19 T67P19-S70 VanDerWaalsContact O-CB 3.24Å; P19-S70 WeakPolarHBondContact O-CB 3.4Å; P19-S70 PolarHBondContact O-OG 3.45Å; T67-S70 PolarHBondContact N-OG 3.01Å; T67-S70 PolarHBondContact O-N 2.89Å; T67-S70 PolarHBondContact O-OG 3.1Å; T67-S70 WeakPolarHBondContact OG1-CB 3.42Å; T67-S70 PolarHBondContact OG1-N 3.01Å; T67-S70 PolarHBondContact OG1-OG 3.24Å
71I98.2Very high97.5Very high0 Ų024.7 Ų24.70%014%0.144CC..THydrogen-bonded Turntrans-77.3-19.7177-161.3162.3000113.5F66 T67 R68 G73 Y74 M75 P120 F169F66-I71 HydrophobicContact CB-CB 3.72Å; F66-I71 HydrophobicContact CB-CD1 4.17Å; F66-I71 HydrophobicContact CB-CG1 4.2Å; F66-I71 HydrophobicContact CD1-CB 4.21Å; F66-I71 HydrophobicContact CD1-CG1 4.48Å; F66-I71 HydrophobicContact CD2-CD1 4.37Å; F66-I71 HydrophobicContact CG-CB 4.04Å; F66-I71 HydrophobicContact CG-CD1 4.33Å; F66-I71 HydrophobicContact CG-CG1 4.16Å; T67-I71 WeakPolarHBondContact O-CG2 3.37Å; T67-I71 PolarHBondContact O-N 3.09Å; R68-I71 WeakPolarHBondContact O-CG2 3.21Å; I71-G73 PolarHBondContact O-N 3.4Å; I71-Y74 WeakPolarHBondContact O-CB 3.23Å; I71-Y74 PolarHBondContact O-N 3.37Å; I71-M75 HydrophobicContact CB-CE 4.12Å; I71-M75 HydrophobicContact CD1-CE 4.03Å; I71-M75 HydrophobicContact CG1-CE 3.88Å; I71-M75 HydrophobicContact CG2-CE 3.25Å; I71-M75 HydrophobicContact CG2-SD 4.08Å; I71-P120 HydrophobicContact CD1-CB 3.94Å; I71-P120 HydrophobicContact CD1-CG 4.49Å; I71-P120 HydrophobicContact CG1-CB 4.27Å; I71-P120 HydrophobicContact CG1-CG 4.46Å; I71-F169 HydrophobicContact CD1-CD1 4.49Å; I71-F169 HydrophobicContact CD1-CE1 3.55Å; I71-F169 HydrophobicContact CD1-CE2 4.2Å; I71-F169 HydrophobicContact CD1-CZ 3.37Å
72S96.6Very high97.2Very high61 Ų6131.8 Ų31.843%0.42718%0.177SC..G310 helixtrans-50.1-38.8-171.757.30000114.6S69 Y74 M75S69-S72 PolarHBondContact O-OG 3.48Å; S72-Y74 PolarHBondContact O-N 2.67Å; S72-M75 PolarHBondContact O-N 3.38Å
73G97.3Very high97.1Very high6 Ų639.7 Ų39.76%0.06221%0.214CC..G310 helixtrans-65.1-20.5177.300000114.6R25 A28 I71R25-G73 WeakPolarHBondContact CD-O 3.47Å; R25-G73 PolarHBondContact NH1-O 2.96Å; A28-G73 VanDerWaalsContact CB-C 3.44Å; A28-G73 WeakPolarHBondContact CB-O 3.46Å; I71-G73 PolarHBondContact O-N 3.4Å
74Y98.5Very high97Very high4 Ų442.3 Ų42.32%0.01623%0.226CC..G310 helixtrans-90.8-14.4-176.8-65.8-95000113.3N16 V23 R25 A28 H31 M32 H62 F66 I71 S72N16-Y74 PolarHBondContact ND2-OH 3.28Å; V23-Y74 HydrophobicContact CG2-CE2 3.7Å; R25-Y74 PolarHBondContact NH1-O 2.96Å; A28-Y74 HydrophobicContact CB-CD1 3.81Å; A28-Y74 HydrophobicContact CB-CD2 3.82Å; A28-Y74 HydrophobicContact CB-CE1 3.76Å; A28-Y74 HydrophobicContact CB-CE2 3.77Å; A28-Y74 HydrophobicContact CB-CG 3.83Å; H31-Y74 HydrophobicContact CB-CE1 4.28Å; H31-Y74 AromaticContact ND1-CE1 3.59Å; M32-Y74 HydrophobicContact CE-CD1 4.27Å; M32-Y74 HydrophobicContact CG-CD1 3.66Å; M32-Y74 HydrophobicContact CG-CE1 4.08Å; M32-Y74 HydrophobicContact SD-CD1 3.74Å; M32-Y74 HydrophobicContact SD-CG 4.44Å; H62-Y74 HydrophobicContact CB-CD1 3.56Å; H62-Y74 HydrophobicContact CB-CE1 4.15Å; H62-Y74 HydrophobicContact CB-CG 4.19Å; F66-Y74 HydrophobicContact CD1-CD2 4.49Å; F66-Y74 HydrophobicContact CD1-CE2 4.38Å; F66-Y74 AromaticContact CE1-CD2 3.84Å; F66-Y74 HydrophobicContact CE1-CD2 3.84Å; F66-Y74 AromaticContact CE1-CE2 3.44Å; F66-Y74 HydrophobicContact CE1-CE2 3.44Å; F66-Y74 VanDerWaalsContact CE1-CE2 3.44Å; F66-Y74 AromaticContact CE1-CZ 3.93Å; F66-Y74 HydrophobicContact CZ-CD2 4.24Å; F66-Y74 HydrophobicContact CZ-CE1 4.4Å; F66-Y74 AromaticContact CZ-CE2 3.91Å; F66-Y74 HydrophobicContact CZ-CE2 3.91Å; F66-Y74 AromaticContact CZ-CZ 3.99Å; I71-Y74 WeakPolarHBondContact O-CB 3.23Å; I71-Y74 PolarHBondContact O-N 3.37Å; S72-Y74 PolarHBondContact O-N 2.67Å
75M98.1Very high97Very high10 Ų1045.1 Ų45.15%0.04925%0.249CC..  trans-81.8151.8-172.2-72.7164.517100113.9R25 I71 S72 P120 L122 Q141 F169R25-M75 PolarHBondContact NH1-O 2.9Å; I71-M75 HydrophobicContact CB-CE 4.12Å; I71-M75 HydrophobicContact CD1-CE 4.03Å; I71-M75 HydrophobicContact CG1-CE 3.88Å; I71-M75 HydrophobicContact CG2-CE 3.25Å; I71-M75 HydrophobicContact CG2-SD 4.08Å; S72-M75 PolarHBondContact O-N 3.38Å; M75-P120 WeakPolarHBondContact CA-O 3.31Å; M75-P120 HydrophobicContact CE-CB 4.07Å; M75-P120 HydrophobicContact CG-CB 3.73Å; M75-P120 HydrophobicContact CG-CG 4.06Å; M75-L122 HydrophobicContact CB-CB 3.88Å; M75-L122 HydrophobicContact CG-CB 4.39Å; M75-L122 HydrophobicContact SD-CB 4.15Å; M75-L122 HydrophobicContact SD-CD1 4.26Å; M75-Q141 HydrophobicContact CE-CB 3.48Å; M75-Q141 VanDerWaalsContact CE-CB 3.48Å; M75-Q141 VanDerWaalsContact CE-CD 3.43Å; M75-Q141 HydrophobicContact CE-CG 3.57Å; M75-Q141 HydrophobicContact SD-CB 4.31Å; M75-Q141 HydrophobicContact SD-CG 3.8Å; M75-Q141 PolarHBondContact SD-OE1 3.02Å; M75-Q141 VanDerWaalsContact SD-OE1 3.38Å; M75-F169 HydrophobicContact CE-CD1 4.4Å; M75-F169 HydrophobicContact CE-CE1 4.02Å
76E98.4Very high97.1Very high4 Ų440.3 Ų40.32%0.01922%0.223CC..BIsolated β-bridgetrans-127.8154.9165.2-56.4-169.3168.300108.1R25 N97 T98 E99 V100 L101 M119 P120 D121 L122R25-E76 IonicContact CZ-OE1 3.8Å; R25-E76 IonicContact NH2-OE1 2.69Å; R25-E76 PolarHBondContact NH2-OE1 3.35Å; E76-N97 VanDerWaalsContact CG-O 3.29Å; E76-N97 WeakPolarHBondContact CG-O 3.31Å; E76-T98 VanDerWaalsContact OE2-C 3.25Å; E76-T98 VanDerWaalsContact OE2-CA 3.26Å; E76-T98 WeakPolarHBondContact OE2-CA 3.48Å; E76-E99 PolarHBondContact OE1-N 3.37Å; E76-E99 VanDerWaalsContact OE1-N 3.11Å; E76-V100 VanDerWaalsContact OE1-CB 3.26Å; E76-V100 WeakPolarHBondContact OE1-CB 3.44Å; E76-V100 WeakPolarHBondContact OE1-CG2 3.23Å; E76-V100 PolarHBondContact OE1-N 3.25Å; E76-L101 HydrophobicContact CB-CD1 4.22Å; E76-L101 WeakPolarHBondContact OE2-CD1 3.42Å; E76-L101 WeakPolarHBondContact OE2-CG 3.29Å; E76-L101 PolarHBondContact OE2-N 3.48Å; E76-M119 HydrophobicContact CB-CE 3.9Å; E76-M119 HydrophobicContact CG-CE 3.8Å; E76-P120 PolarHBondContact N-O 2.92Å; E76-D121 WeakPolarHBondContact O-CA 3.28Å; E76-L122 PolarHBondContact O-N 3.38Å
77T97.8Very high97.1Very high63 Ų6340.9 Ų40.939%0.38723%0.226SC..  trans-85115.8168.8-640000108.5L122T77-L122 WeakPolarHBondContact CA-O 3.47Å; T77-L122 WeakPolarHBondContact CB-O 3.4Å; T77-L122 WeakPolarHBondContact CG2-O 3.48Å; T77-L122 PolarHBondContact OG1-O 2.61Å
78I98.1Very high97.2Very high0 Ų040.1 Ų40.10%022%0.222CC..PPolyproline II helixtrans-96.6117.3-179-48.9178.6000107.7L101 M119 D121 Q123 T144 V146 L154 R157I78-L101 HydrophobicContact CD1-CD2 4.41Å; I78-L101 HydrophobicContact CG1-CD1 4.07Å; I78-L101 HydrophobicContact CG1-CD2 4.26Å; I78-L101 HydrophobicContact CG2-CD2 4.24Å; I78-M119 HydrophobicContact CD1-CE 4.43Å; I78-M119 HydrophobicContact CD1-CG 3.9Å; I78-M119 HydrophobicContact CD1-SD 4.11Å; I78-D121 HydrophobicContact CD1-CB 3.75Å; I78-D121 HydrophobicContact CG1-CB 4.03Å; I78-D121 PolarHBondContact N-OD1 2.81Å; I78-Q123 PolarHBondContact O-NE2 3Å; I78-T144 HydrophobicContact CD1-CG2 3.87Å; I78-V146 HydrophobicContact CD1-CG1 3.68Å; I78-V146 HydrophobicContact CG2-CG1 3.82Å; I78-L154 HydrophobicContact CG2-CD2 3.98Å; I78-R157 HydrophobicContact CB-CG 4.39Å; I78-R157 HydrophobicContact CG2-CB 4.34Å; I78-R157 HydrophobicContact CG2-CG 3.92Å; I78-R157 PolarHBondContact O-NH1 3.23Å
79P96.7Very high97.3Very high20 Ų2038.9 Ų38.913%0.1322%0.221CC..PPolyproline II helixtrans-69.5160.8178.229.1-34.4000111.7P81 E84 W86 Y95 L154P79-P81 VanDerWaalsContact O-CD 3.29Å; P79-P81 WeakPolarHBondContact O-CD 3.29Å; P79-E84 HydrophobicContact CB-CG 4.26Å; P79-E84 WeakPolarHBondContact CB-OE1 3.32Å; P79-E84 WeakPolarHBondContact CG-OE1 3.35Å; P79-W86 HydrophobicContact CG-CD2 4.44Å; P79-W86 HydrophobicContact CG-CE3 3.44Å; P79-W86 VanDerWaalsContact CG-CE3 3.44Å; P79-W86 HydrophobicContact CG-CZ3 3.83Å; P79-Y95 HydrophobicContact CB-CE2 4.21Å; P79-Y95 HydrophobicContact CG-CD2 4.37Å; P79-Y95 HydrophobicContact CG-CE2 3.85Å; P79-L154 HydrophobicContact CG-CD2 4.3Å
80D96.3Very high97.4Very high37 Ų3738.6 Ų38.620%0.19822%0.216CC..PPolyproline II helixtrans-80.9116.9176.6-160.6-43.8000111.3Q82 E83 E84 R157D80-Q82 PolarHBondContact O-N 3.12Å; D80-Q82 VanDerWaalsContact O-N 3.14Å; D80-Q82 VanDerWaalsContact OD1-CB 3.28Å; D80-Q82 WeakPolarHBondContact OD1-CB 3.23Å; D80-Q82 WeakPolarHBondContact OD1-CG 3.46Å; D80-Q82 PolarHBondContact OD1-N 3.27Å; D80-E83 HydrophobicContact CB-CB 4.19Å; D80-E83 HydrophobicContact CB-CG 3.99Å; D80-E83 PolarHBondContact O-N 3.18Å; D80-E84 PolarHBondContact O-N 2.84Å; D80-E84 VanDerWaalsContact O-N 3.1Å; D80-R157 IonicContact OD2-NH2 2.72Å; D80-R157 PolarHBondContact OD2-NH2 3.31Å
81P96.8Very high97.4Very high33 Ų3342.8 Ų42.821%0.21424%0.236CC..THydrogen-bonded Turntrans-65.8-13.8178.5-22.237.4000114.3P79 E84 L154 R157P79-P81 VanDerWaalsContact O-CD 3.29Å; P79-P81 WeakPolarHBondContact O-CD 3.29Å; P81-E84 CarbonylContact C-O 3.45Å; P81-E84 WeakPolarHBondContact CA-O 3.38Å; P81-L154 HydrophobicContact CG-CD2 3.81Å; P81-L154 HydrophobicContact CG-CG 3.7Å; P81-R157 HydrophobicContact CG-CB 4.37Å
82Q92.8Very high97.3Very high148 Ų14844.8 Ų44.869%0.69225%0.249SC*.THydrogen-bonded Turntrans-81.7-24.6173.9-57.7-172.27.600112.4D80D80-Q82 PolarHBondContact O-N 3.12Å; D80-Q82 VanDerWaalsContact O-N 3.14Å; D80-Q82 VanDerWaalsContact OD1-CB 3.28Å; D80-Q82 WeakPolarHBondContact OD1-CB 3.23Å; D80-Q82 WeakPolarHBondContact OD1-CG 3.46Å; D80-Q82 PolarHBondContact OD1-N 3.27Å
83E94.9Very high97.3Very high168 Ų16849 Ų4979%0.78527%0.266SS*.THydrogen-bonded Turntrans-94.1-29.7-179.9-62.2-170.2164.700111.8D80D80-E83 HydrophobicContact CB-CB 4.19Å; D80-E83 HydrophobicContact CB-CG 3.99Å; D80-E83 PolarHBondContact O-N 3.18Å
84E96.1Very high97.3Very high56 Ų5652.6 Ų52.626%0.26228%0.28SS..  trans-150.8159.9178.858.9155.8-153.100114.9P79 D80 P81 K94 Y95P79-E84 HydrophobicContact CB-CG 4.26Å; P79-E84 WeakPolarHBondContact CB-OE1 3.32Å; P79-E84 WeakPolarHBondContact CG-OE1 3.35Å; D80-E84 PolarHBondContact O-N 2.84Å; D80-E84 VanDerWaalsContact O-N 3.1Å; P81-E84 CarbonylContact C-O 3.45Å; P81-E84 WeakPolarHBondContact CA-O 3.38Å; E84-K94 VanDerWaalsContact CD-NZ 3.32Å; E84-K94 IonicContact OE1-NZ 3.78Å; E84-K94 PolarHBondContact OE1-NZ 3.08Å; E84-K94 IonicContact OE2-NZ 2.88Å; E84-K94 PolarHBondContact OE2-NZ 2.85Å; E84-Y95 WeakPolarHBondContact OE1-CE2 3.37Å; E84-Y95 VanDerWaalsContact OE1-CZ 3.22Å; E84-Y95 PolarHBondContact OE1-OH 3Å; E84-Y95 PolarHBondContact OE2-OH 2.64Å
85S97.4Very high97.1Very high84 Ų8455.9 Ų55.959%0.58729%0.293SS*.  trans-98.6131.3172.9-1650000110.2K94 L153S85-K94 PolarHBondContact O-NZ 3.13Å; S85-L153 WeakPolarHBondContact OG-CD1 3.31Å
86W98.6Very high96.9Very high3 Ų362.1 Ų62.11%0.01133%0.327CS..  trans-151.2131175.4176.843.8000111.5P79 P88 E91 K94 Y95 T98 L101 L153 L154P79-W86 HydrophobicContact CG-CD2 4.44Å; P79-W86 HydrophobicContact CG-CE3 3.44Å; P79-W86 VanDerWaalsContact CG-CE3 3.44Å; P79-W86 HydrophobicContact CG-CZ3 3.83Å; W86-P88 HydrophobicContact CD2-CG 3.82Å; W86-P88 HydrophobicContact CE3-CG 3.77Å; W86-P88 HydrophobicContact CH2-CB 3.85Å; W86-P88 HydrophobicContact CH2-CG 3.6Å; W86-P88 HydrophobicContact CZ2-CB 3.56Å; W86-P88 HydrophobicContact CZ2-CG 3.64Å; W86-P88 HydrophobicContact CZ3-CB 4.43Å; W86-P88 HydrophobicContact CZ3-CG 3.68Å; W86-P88 WeakPolarHBondContact O-CD 3.48Å; W86-E91 PolarHBondContact NE1-O 2.98Å; W86-K94 HydrophobicContact CB-CD 4.24Å; W86-K94 HydrophobicContact CG-CD 3.85Å; W86-Y95 AromaticContact CD2-CD2 3.74Å; W86-Y95 HydrophobicContact CD2-CD2 3.74Å; W86-Y95 AromaticContact CD2-CE2 3.97Å; W86-Y95 HydrophobicContact CD2-CE2 3.97Å; W86-Y95 AromaticContact CE2-CD2 3.72Å; W86-Y95 AromaticContact CE3-CD2 3.89Å; W86-Y95 HydrophobicContact CE3-CD2 3.89Å; W86-Y95 HydrophobicContact CE3-CE2 4.11Å; W86-Y95 HydrophobicContact CG-CD2 4.35Å; W86-Y95 HydrophobicContact CG-CE2 4.23Å; W86-Y95 AromaticContact CH2-CD2 3.99Å; W86-Y95 HydrophobicContact CH2-CD2 3.99Å; W86-Y95 AromaticContact CZ2-CD2 3.86Å; W86-Y95 HydrophobicContact CZ2-CD2 3.86Å; W86-Y95 AromaticContact CZ3-CD2 4Å; W86-Y95 HydrophobicContact CZ3-CD2 4Å; W86-T98 HydrophobicContact CH2-CG2 3.71Å; W86-T98 HydrophobicContact CZ2-CG2 4.33Å; W86-L101 HydrophobicContact CH2-CB 4.16Å; W86-L101 HydrophobicContact CH2-CD1 3.98Å; W86-L101 HydrophobicContact CZ3-CB 4.47Å; W86-L101 HydrophobicContact CZ3-CD1 3.88Å; W86-L153 WeakPolarHBondContact O-CD1 3.47Å; W86-L154 HydrophobicContact CE3-CD2 4.47Å; W86-L154 PolarHBondContact O-N 3.29Å
87N98.6Very high96.8Very high17 Ų1766.9 Ų66.99%0.09135%0.352CS..  trans-111.5100.2171.1-177.1-33.4000109.2C89 T90 E91 S105 D151 G152 L153N87-C89 PolarHBondContact O-N 3.45Å; N87-C89 VanDerWaalsContact O-N 3.1Å; N87-C89 WeakPolarHBondContact OD1-CB 3.25Å; N87-C89 PolarHBondContact OD1-N 3.11Å; N87-C89 VanDerWaalsContact OD1-N 3.12Å; N87-T90 VanDerWaalsContact CB-OG1 3.25Å; N87-T90 WeakPolarHBondContact CB-OG1 3.38Å; N87-T90 VanDerWaalsContact CG-OG1 3.23Å; N87-T90 PolarHBondContact O-N 3.32Å; N87-T90 VanDerWaalsContact O-N 3.12Å; N87-T90 PolarHBondContact O-OG1 3.2Å; N87-T90 PolarHBondContact OD1-N 3.48Å; N87-T90 PolarHBondContact OD1-OG1 2.78Å; N87-E91 PolarHBondContact N-OE2 3.08Å; N87-E91 WeakPolarHBondContact O-CB 3.26Å; N87-E91 PolarHBondContact O-N 3.28Å; N87-S105 PolarHBondContact OD1-OG 2.88Å; N87-D151 PolarHBondContact ND2-O 3.49Å; N87-G152 PolarHBondContact OD1-O 2.84Å; N87-L153 HydrophobicContact CB-CD1 4.14Å; N87-L153 PolarHBondContact ND2-N 2.69Å
88P98.6Very high96.8Very high0 Ų064 Ų640%034%0.335CS..THydrogen-bonded Turntrans-57-29.9-176.3-24.631.4000113.9W86 P92 L101 Q102 F148W86-P88 HydrophobicContact CD2-CG 3.82Å; W86-P88 HydrophobicContact CE3-CG 3.77Å; W86-P88 HydrophobicContact CH2-CB 3.85Å; W86-P88 HydrophobicContact CH2-CG 3.6Å; W86-P88 HydrophobicContact CZ2-CB 3.56Å; W86-P88 HydrophobicContact CZ2-CG 3.64Å; W86-P88 HydrophobicContact CZ3-CB 4.43Å; W86-P88 HydrophobicContact CZ3-CG 3.68Å; W86-P88 WeakPolarHBondContact O-CD 3.48Å; P88-P92 WeakPolarHBondContact O-CA 3.14Å; P88-L101 HydrophobicContact CB-CB 4.46Å; P88-L101 HydrophobicContact CG-CB 4.34Å; P88-Q102 HydrophobicContact CB-CB 4.45Å; P88-Q102 HydrophobicContact CB-CG 4.05Å; P88-F148 HydrophobicContact CG-CE1 3.92Å
89C98.4Very high96.8Very high27 Ų2767.1 Ų67.118%0.18235%0.349CS..THydrogen-bonded Turntrans-74.2-32.5-179.3-170.10000113.7N87 S105 C106N87-C89 PolarHBondContact O-N 3.45Å; N87-C89 VanDerWaalsContact O-N 3.1Å; N87-C89 WeakPolarHBondContact OD1-CB 3.25Å; N87-C89 PolarHBondContact OD1-N 3.11Å; N87-C89 VanDerWaalsContact OD1-N 3.12Å; C89-S105 WeakPolarHBondContact CB-OG 3.42Å; C89-S105 PolarHBondContact N-OG 2.82Å; C89-C106 WeakPolarHBondContact CA-SG 3.41Å; C89-C106 HydrophobicContact CB-CB 3.91Å; C89-C106 WeakPolarHBondContact CB-SG 3.16Å; C89-C106 WeakPolarHBondContact SG-CA 3.48Å; C89-C106 WeakPolarHBondContact SG-CB 3.45Å; C89-C106 CovalentContact SG-SG 2.05Å; C89-C106 PolarHBondContact SG-SG 3.32Å
90T98.4Very high96.9Very high69 Ų6966.1 Ų66.142%0.42334%0.343SS..THydrogen-bonded Turntrans-95.1-22.7178.550.40000113.2N87 P92N87-T90 VanDerWaalsContact CB-OG1 3.25Å; N87-T90 WeakPolarHBondContact CB-OG1 3.38Å; N87-T90 VanDerWaalsContact CG-OG1 3.23Å; N87-T90 PolarHBondContact O-N 3.32Å; N87-T90 VanDerWaalsContact O-N 3.12Å; N87-T90 PolarHBondContact O-OG1 3.2Å; N87-T90 PolarHBondContact OD1-N 3.48Å; N87-T90 PolarHBondContact OD1-OG1 2.78Å; T90-P92 WeakPolarHBondContact O-CD 3.43Å
91E98.1Very high97Very high89 Ų8964.4 Ų64.442%0.41633%0.333SS..  trans-126.858.7-175.4-56.6173.4117.400110.5W86 N87 D93 K94W86-E91 PolarHBondContact NE1-O 2.98Å; N87-E91 PolarHBondContact N-OE2 3.08Å; N87-E91 WeakPolarHBondContact O-CB 3.26Å; N87-E91 PolarHBondContact O-N 3.28Å; E91-D93 PolarHBondContact O-N 3.46Å; E91-K94 HydrophobicContact CB-CB 4.39Å; E91-K94 PolarHBondContact O-N 2.82Å
92P96.4Very high97.1Very high42 Ų4265.3 Ų65.327%0.27334%0.335SS..G310 helixtrans-65.1-28-174.227.7-36.1000112.7P88 T90 K94 Q102P88-P92 WeakPolarHBondContact O-CA 3.14Å; T90-P92 WeakPolarHBondContact O-CD 3.43Å; P92-K94 VanDerWaalsContact C-N 3.35Å; P92-Q102 HydrophobicContact CB-CG 4.26Å; P92-Q102 PolarHBondContact O-NE2 2.83Å
93D96.5Very high97.4Very high149 Ų14960.2 Ų60.280%0.79731%0.309SS*.G310 helixtrans-87.60-175.9-55.3-49.1000113.6E91 Y95E91-D93 PolarHBondContact O-N 3.46Å; D93-Y95 VanDerWaalsContact C-N 3.31Å; D93-Y95 PolarHBondContact O-N 3.17Å
94K96.7Very high97.6Very high81 Ų8152.2 Ų52.235%0.35227%0.272SS..G310 helixtrans-64.9-37.4179.2-170.2-176.4178.7-166.50111.6E84 S85 W86 E91 P92E84-K94 VanDerWaalsContact CD-NZ 3.32Å; E84-K94 IonicContact OE1-NZ 3.78Å; E84-K94 PolarHBondContact OE1-NZ 3.08Å; E84-K94 IonicContact OE2-NZ 2.88Å; E84-K94 PolarHBondContact OE2-NZ 2.85Å; S85-K94 PolarHBondContact O-NZ 3.13Å; W86-K94 HydrophobicContact CB-CD 4.24Å; W86-K94 HydrophobicContact CG-CD 3.85Å; E91-K94 HydrophobicContact CB-CB 4.39Å; E91-K94 PolarHBondContact O-N 2.82Å; P92-K94 VanDerWaalsContact C-N 3.35Å
95Y95.9Very high97.7Very high74 Ų7449.6 Ų49.629%0.2926%0.26SS..SBendtrans-133.7134.6-179.2-67.8-61.9000111.1P79 E84 W86 D93 T98P79-Y95 HydrophobicContact CB-CE2 4.21Å; P79-Y95 HydrophobicContact CG-CD2 4.37Å; P79-Y95 HydrophobicContact CG-CE2 3.85Å; E84-Y95 WeakPolarHBondContact OE1-CE2 3.37Å; E84-Y95 VanDerWaalsContact OE1-CZ 3.22Å; E84-Y95 PolarHBondContact OE1-OH 3Å; E84-Y95 PolarHBondContact OE2-OH 2.64Å; W86-Y95 AromaticContact CD2-CD2 3.74Å; W86-Y95 HydrophobicContact CD2-CD2 3.74Å; W86-Y95 AromaticContact CD2-CE2 3.97Å; W86-Y95 HydrophobicContact CD2-CE2 3.97Å; W86-Y95 AromaticContact CE2-CD2 3.72Å; W86-Y95 AromaticContact CE3-CD2 3.89Å; W86-Y95 HydrophobicContact CE3-CD2 3.89Å; W86-Y95 HydrophobicContact CE3-CE2 4.11Å; W86-Y95 HydrophobicContact CG-CD2 4.35Å; W86-Y95 HydrophobicContact CG-CE2 4.23Å; W86-Y95 AromaticContact CH2-CD2 3.99Å; W86-Y95 HydrophobicContact CH2-CD2 3.99Å; W86-Y95 AromaticContact CZ2-CD2 3.86Å; W86-Y95 HydrophobicContact CZ2-CD2 3.86Å; W86-Y95 AromaticContact CZ3-CD2 4Å; W86-Y95 HydrophobicContact CZ3-CD2 4Å; D93-Y95 VanDerWaalsContact C-N 3.31Å; D93-Y95 PolarHBondContact O-N 3.17Å; Y95-T98 PolarHBondContact O-OG1 2.81Å
96N94.3Very high97.8Very high141 Ų14146.4 Ų46.475%0.75424%0.237SC*.SBendtrans-76.3153175.5-63.4-34.7000111.2
97N95.1Very high97.8Very high104 Ų10446.3 Ų46.356%0.55624%0.237SC*.SBendtrans58.844.9176.3-49.8-46.4000113.6R25 E76 E99R25-N97 PolarHBondContact NH2-O 2.83Å; E76-N97 VanDerWaalsContact CG-O 3.29Å; E76-N97 WeakPolarHBondContact CG-O 3.31Å; N97-E99 VanDerWaalsContact C-OE2 3.26Å; N97-E99 WeakPolarHBondContact CA-OE2 3.45Å
98T97.4Very high97.8Very high2 Ų245.5 Ų45.51%0.01223%0.233CC..  trans-116.626.4-177.655.50000113.3E76 W86 Y95 V100 L101 Q102E76-T98 VanDerWaalsContact OE2-C 3.25Å; E76-T98 VanDerWaalsContact OE2-CA 3.26Å; E76-T98 WeakPolarHBondContact OE2-CA 3.48Å; W86-T98 HydrophobicContact CH2-CG2 3.71Å; W86-T98 HydrophobicContact CZ2-CG2 4.33Å; Y95-T98 PolarHBondContact O-OG1 2.81Å; T98-V100 VanDerWaalsContact C-N 3.28Å; T98-V100 PolarHBondContact O-N 3.25Å; T98-L101 HydrophobicContact CG2-CD1 4.18Å; T98-L101 PolarHBondContact O-N 2.85Å; T98-Q102 WeakPolarHBondContact O-CB 3.5Å; T98-Q102 VanDerWaalsContact O-CG 3.22Å; T98-Q102 WeakPolarHBondContact O-CG 3.01Å; T98-Q102 PolarHBondContact O-N 3.1Å; T98-Q102 PolarHBondContact OG1-NE2 3.17Å
99E98.3Very high97.8Very high65 Ų6551.4 Ų51.430%0.30426%0.255SS..Hα-helixtrans-59.1-34.7-171-6090163.100113.7R25 L29 E76 N97 R103R25-E99 IonicContact CZ-OE2 3.73Å; R25-E99 IonicContact NE-OE2 3.79Å; R25-E99 IonicContact NH2-OE2 2.79Å; R25-E99 PolarHBondContact NH2-OE2 3.36Å; L29-E99 HydrophobicContact CD1-CG 4.3Å; L29-E99 HydrophobicContact CD2-CB 3.86Å; L29-E99 HydrophobicContact CD2-CG 4.39Å; E76-E99 PolarHBondContact OE1-N 3.37Å; E76-E99 VanDerWaalsContact OE1-N 3.11Å; N97-E99 VanDerWaalsContact C-OE2 3.26Å; N97-E99 WeakPolarHBondContact CA-OE2 3.45Å; E99-R103 WeakPolarHBondContact O-CB 3.27Å; E99-R103 PolarHBondContact O-N 2.72Å; E99-R103 VanDerWaalsContact O-N 3.12Å
100V98.8Very high97.8Very high0 Ų058.4 Ų58.40%028%0.278CS..Hα-helixtrans-72.4-48.7177.1178.10000110.3L29 M32 L36 I61 E76 T98 Q102 R103 L104 M119L29-V100 HydrophobicContact CD2-CG2 4.24Å; M32-V100 HydrophobicContact CE-CG2 3.63Å; M32-V100 HydrophobicContact SD-CG2 3.97Å; L36-V100 HydrophobicContact CD1-CG1 4.13Å; L36-V100 HydrophobicContact CD1-CG2 4.26Å; I61-V100 HydrophobicContact CD1-CG1 4.09Å; I61-V100 HydrophobicContact CG2-CG1 4.49Å; E76-V100 VanDerWaalsContact OE1-CB 3.26Å; E76-V100 WeakPolarHBondContact OE1-CB 3.44Å; E76-V100 WeakPolarHBondContact OE1-CG2 3.23Å; E76-V100 PolarHBondContact OE1-N 3.25Å; T98-V100 VanDerWaalsContact C-N 3.28Å; T98-V100 PolarHBondContact O-N 3.25Å; V100-Q102 VanDerWaalsContact C-N 3.32Å; V100-Q102 PolarHBondContact O-N 2.75Å; V100-R103 PolarHBondContact O-N 2.81Å; V100-L104 HydrophobicContact CG1-CD1 3.91Å; V100-L104 HydrophobicContact CG1-CG 4.4Å; V100-L104 WeakPolarHBondContact O-CG 3.16Å; V100-L104 PolarHBondContact O-N 3.46Å; V100-M119 HydrophobicContact CB-CE 3.91Å; V100-M119 HydrophobicContact CG1-CE 3.81Å; V100-M119 HydrophobicContact CG1-SD 3.88Å
101L98.8Very high97.8Very high0 Ų056.9 Ų56.90%027%0.267CS..Hα-helixtrans-59-42.8176.2-69.1164.8000111.8E76 I78 W86 P88 T98 R103 L104 S105 M119 V146 F148E76-L101 HydrophobicContact CB-CD1 4.22Å; E76-L101 WeakPolarHBondContact OE2-CD1 3.42Å; E76-L101 WeakPolarHBondContact OE2-CG 3.29Å; E76-L101 PolarHBondContact OE2-N 3.48Å; I78-L101 HydrophobicContact CD1-CD2 4.41Å; I78-L101 HydrophobicContact CG1-CD1 4.07Å; I78-L101 HydrophobicContact CG1-CD2 4.26Å; I78-L101 HydrophobicContact CG2-CD2 4.24Å; W86-L101 HydrophobicContact CH2-CB 4.16Å; W86-L101 HydrophobicContact CH2-CD1 3.98Å; W86-L101 HydrophobicContact CZ3-CB 4.47Å; W86-L101 HydrophobicContact CZ3-CD1 3.88Å; P88-L101 HydrophobicContact CB-CB 4.46Å; P88-L101 HydrophobicContact CG-CB 4.34Å; T98-L101 HydrophobicContact CG2-CD1 4.18Å; T98-L101 PolarHBondContact O-N 2.85Å; L101-R103 PolarHBondContact O-N 2.94Å; L101-L104 PolarHBondContact O-N 2.77Å; L101-S105 WeakPolarHBondContact O-CB 3.28Å; L101-S105 PolarHBondContact O-N 2.86Å; L101-M119 HydrophobicContact CD2-CE 4.4Å; L101-M119 HydrophobicContact CD2-SD 3.7Å; L101-M119 HydrophobicContact CG-CE 4.16Å; L101-M119 HydrophobicContact CG-SD 4.06Å; L101-V146 HydrophobicContact CD2-CG1 4.16Å; L101-V146 HydrophobicContact CD2-CG2 4.47Å; L101-F148 HydrophobicContact CD2-CZ 3.89Å
102Q98.7Very high97.8Very high52 Ų5257.6 Ų57.624%0.24327%0.274CS..Hα-helixtrans-58.7-46.5175-71.417828.100111.6P88 P92 T98 V100 C106P88-Q102 HydrophobicContact CB-CB 4.45Å; P88-Q102 HydrophobicContact CB-CG 4.05Å; P92-Q102 HydrophobicContact CB-CG 4.26Å; P92-Q102 PolarHBondContact O-NE2 2.83Å; T98-Q102 WeakPolarHBondContact O-CB 3.5Å; T98-Q102 VanDerWaalsContact O-CG 3.22Å; T98-Q102 WeakPolarHBondContact O-CG 3.01Å; T98-Q102 PolarHBondContact O-N 3.1Å; T98-Q102 PolarHBondContact OG1-NE2 3.17Å; V100-Q102 VanDerWaalsContact C-N 3.32Å; V100-Q102 PolarHBondContact O-N 2.75Å; Q102-C106 WeakPolarHBondContact O-CB 3.37Å; Q102-C106 PolarHBondContact O-N 2.84Å
103R98.8Very high97.9Very high42 Ų4255.6 Ų55.616%0.15826%0.261CS..Hα-helixtrans-65.6-44.8-179.8-167.2166.9-172.8-168.31.9111.9Q33 D37 E40 E99 V100 L101 C106 M107Q33-R103 PolarHBondContact O-NH1 2.78Å; Q33-R103 VanDerWaalsContact O-NH1 3.17Å; D37-R103 IonicContact OD1-CZ 2.73Å; D37-R103 IonicContact OD1-NH1 2.85Å; D37-R103 PolarHBondContact OD1-NH1 3.05Å; D37-R103 IonicContact OD1-NH2 3.14Å; D37-R103 PolarHBondContact OD1-NH2 2.83Å; E40-R103 VanDerWaalsContact CD-NE 3.35Å; E40-R103 WeakPolarHBondContact OE1-CG 3.21Å; E40-R103 IonicContact OE1-CZ 3.04Å; E40-R103 IonicContact OE1-NE 3.77Å; E40-R103 PolarHBondContact OE1-NE 2.8Å; E40-R103 IonicContact OE1-NH2 3.84Å; E40-R103 PolarHBondContact OE1-NH2 2.65Å; E40-R103 IonicContact OE2-CZ 2.77Å; E40-R103 IonicContact OE2-NE 3.42Å; E40-R103 IonicContact OE2-NH2 3.47Å; E40-R103 PolarHBondContact OE2-NH2 3.33Å; E99-R103 WeakPolarHBondContact O-CB 3.27Å; E99-R103 PolarHBondContact O-N 2.72Å; E99-R103 VanDerWaalsContact O-N 3.12Å; V100-R103 PolarHBondContact O-N 2.81Å; L101-R103 PolarHBondContact O-N 2.94Å; R103-C106 PolarHBondContact O-N 2.79Å; R103-M107 VanDerWaalsContact O-CB 3.27Å; R103-M107 WeakPolarHBondContact O-CB 3.31Å; R103-M107 PolarHBondContact O-N 3.01Å
104L98.9Very high98Very high0 Ų049.5 Ų49.50%023%0.227CC..Hα-helixtrans-62.8-45.2177-68.4169.5000112.1L36 Y39 I61 V100 L101 M107 A108 L115 A117 M119 V146 F148L36-L104 HydrophobicContact CD2-CD2 3.75Å; L36-L104 HydrophobicContact CD2-CG 4.2Å; Y39-L104 HydrophobicContact CD2-CD2 4.45Å; I61-L104 HydrophobicContact CD1-CD1 4.15Å; I61-L104 HydrophobicContact CD1-CD2 4.44Å; V100-L104 HydrophobicContact CG1-CD1 3.91Å; V100-L104 HydrophobicContact CG1-CG 4.4Å; V100-L104 WeakPolarHBondContact O-CG 3.16Å; V100-L104 PolarHBondContact O-N 3.46Å; L101-L104 PolarHBondContact O-N 2.77Å; L104-M107 HydrophobicContact CD2-CE 4.35Å; L104-M107 WeakPolarHBondContact O-CB 3.35Å; L104-M107 PolarHBondContact O-N 2.65Å; L104-A108 PolarHBondContact O-N 2.75Å; L104-L115 HydrophobicContact CB-CD2 4.4Å; L104-L115 HydrophobicContact CD2-CD2 3.84Å; L104-A117 HydrophobicContact CD1-CB 4.02Å; L104-A117 HydrophobicContact CD2-CB 3.83Å; L104-M119 HydrophobicContact CD1-SD 4.18Å; L104-V146 HydrophobicContact CD1-CG2 4.18Å; L104-F148 HydrophobicContact CB-CD2 4Å; L104-F148 HydrophobicContact CB-CE2 3.49Å; L104-F148 VanDerWaalsContact CB-CE2 3.49Å; L104-F148 HydrophobicContact CB-CZ 4.14Å; L104-F148 HydrophobicContact CD1-CE2 4.18Å; L104-F148 HydrophobicContact CG-CE2 4.48Å
105S98.9Very high98.1Very high0 Ų045.7 Ų45.70%021%0.21CC..Hα-helixtrans-58.6-48.7175.31700000111.7N87 C89 L101 M107 A108 R109 G152N87-S105 PolarHBondContact OD1-OG 2.88Å; C89-S105 WeakPolarHBondContact CB-OG 3.42Å; C89-S105 PolarHBondContact N-OG 2.82Å; L101-S105 WeakPolarHBondContact O-CB 3.28Å; L101-S105 PolarHBondContact O-N 2.86Å; S105-M107 VanDerWaalsContact C-N 3.31Å; S105-M107 PolarHBondContact O-N 2.73Å; S105-A108 PolarHBondContact O-N 2.86Å; S105-R109 PolarHBondContact O-N 3.29Å; S105-G152 WeakPolarHBondContact CB-O 3.21Å; S105-G152 WeakPolarHBondContact O-CA 3.37Å; S105-G152 PolarHBondContact OG-O 3.13Å
106C98.9Very high98.3Very high18 Ų1842.2 Ų42.212%0.12220%0.196CC..Hα-helixtrans-66.3-34.2177.1-76.70000112.7C89 Q102 R103 R109 R110C89-C106 WeakPolarHBondContact CA-SG 3.41Å; C89-C106 HydrophobicContact CB-CB 3.91Å; C89-C106 WeakPolarHBondContact CB-SG 3.16Å; C89-C106 WeakPolarHBondContact SG-CA 3.48Å; C89-C106 WeakPolarHBondContact SG-CB 3.45Å; C89-C106 CovalentContact SG-SG 2.05Å; C89-C106 PolarHBondContact SG-SG 3.32Å; Q102-C106 WeakPolarHBondContact O-CB 3.37Å; Q102-C106 PolarHBondContact O-N 2.84Å; R103-C106 PolarHBondContact O-N 2.79Å; C106-R109 PolarHBondContact O-N 3.13Å; C106-R110 WeakPolarHBondContact O-CB 3.49Å; C106-R110 WeakPolarHBondContact O-CG 3.42Å; C106-R110 PolarHBondContact O-N 2.77Å
107M98.8Very high98.5Very high1 Ų135.5 Ų35.51%0.00516%0.16CC..Hα-helixtrans-61.9-45.9175.1-170.8-173.9-45.600111.2L36 Y39 E40 A43 F56 R103 L104 S105 N111 L115L36-M107 HydrophobicContact CD2-CE 4.49Å; Y39-M107 VanDerWaalsContact C-SD 3.56Å; E40-M107 HydrophobicContact CB-CE 4.29Å; E40-M107 HydrophobicContact CG-CE 3.39Å; E40-M107 HydrophobicContact CG-CG 4.07Å; E40-M107 HydrophobicContact CG-SD 4.09Å; A43-M107 HydrophobicContact CB-CG 3.61Å; A43-M107 HydrophobicContact CB-SD 3.69Å; F56-M107 HydrophobicContact CE2-SD 4.41Å; R103-M107 VanDerWaalsContact O-CB 3.27Å; R103-M107 WeakPolarHBondContact O-CB 3.31Å; R103-M107 PolarHBondContact O-N 3.01Å; L104-M107 HydrophobicContact CD2-CE 4.35Å; L104-M107 WeakPolarHBondContact O-CB 3.35Å; L104-M107 PolarHBondContact O-N 2.65Å; S105-M107 VanDerWaalsContact C-N 3.31Å; S105-M107 PolarHBondContact O-N 2.73Å; M107-N111 WeakPolarHBondContact O-CB 3.4Å; M107-N111 PolarHBondContact O-N 2.84Å; M107-N111 PolarHBondContact O-ND2 3.43Å; M107-L115 HydrophobicContact CB-CD1 3.99Å; M107-L115 HydrophobicContact CG-CD1 3.74Å; M107-L115 HydrophobicContact SD-CD1 3.49Å; M107-L115 WeakPolarHBondContact SD-CD1 3.41Å
108A98.9Very high98.7Very high0 Ų030.5 Ų30.50%013%0.134CC..Hα-helixtrans-59.7-50.5175.200000111.3L104 S105 N111 N112 L113 L115 F148L104-A108 PolarHBondContact O-N 2.75Å; S105-A108 PolarHBondContact O-N 2.86Å; A108-N111 CarbonylContact O-C 3.58Å; A108-N111 PolarHBondContact O-N 2.95Å; A108-N112 PolarHBondContact O-N 2.81Å; A108-L113 PolarHBondContact O-N 2.95Å; A108-L115 HydrophobicContact CB-CB 3.74Å; A108-F148 HydrophobicContact CB-CB 3.79Å
109R98.8Very high98.8Very high123 Ų12330.4 Ų30.446%0.46413%0.133SC..Hα-helixtrans-60.9-50.3-178.3-171-178.7-178.3-160.32.1113.6S105 C106 N111 N112 S150 D151S105-R109 PolarHBondContact O-N 3.29Å; C106-R109 PolarHBondContact O-N 3.13Å; R109-N111 PolarHBondContact O-N 2.78Å; R109-N112 PolarHBondContact O-N 3.38Å; R109-S150 WeakPolarHBondContact CA-O 3.3Å; R109-D151 VanDerWaalsContact CD-O 3.26Å; R109-D151 WeakPolarHBondContact CD-O 3.45Å; R109-D151 WeakPolarHBondContact CG-O 3.07Å
110R98.7Very high98.8Very high175 Ų17527.3 Ų27.366%0.6612%0.119SC*.Hα-helixtrans-62.1-31-178.4-72173.5-165.11626112.3C106C106-R110 WeakPolarHBondContact O-CB 3.49Å; C106-R110 WeakPolarHBondContact O-CG 3.42Å; C106-R110 PolarHBondContact O-N 2.77Å
111N98.8Very high98.8Very high37 Ų3727.3 Ų27.320%0.19812%0.119CC..Hα-helixtrans-98.6-0.7-177-69.9-67.7000113.4A44 A47 M107 A108 R109 L113A44-N111 VanDerWaalsContact CA-OD1 3.31Å; A44-N111 WeakPolarHBondContact CA-OD1 3.41Å; A47-N111 HydrophobicContact CB-CB 3.94Å; M107-N111 WeakPolarHBondContact O-CB 3.4Å; M107-N111 PolarHBondContact O-N 2.84Å; M107-N111 PolarHBondContact O-ND2 3.43Å; A108-N111 CarbonylContact O-C 3.58Å; A108-N111 PolarHBondContact O-N 2.95Å; R109-N111 PolarHBondContact O-N 2.78Å; N111-L113 VanDerWaalsContact C-N 3.29Å; N111-L113 HydrophobicContact CB-CD2 3.74Å; N111-L113 HydrophobicContact CB-CG 3.86Å; N111-L113 PolarHBondContact O-N 3.22Å
112N98.5Very high98.7Very high104 Ų10429.4 Ų29.456%0.55613%0.13SC*.THydrogen-bonded Turntrans49.547.7179.9-17124.5000112.8A108 R109 S150A108-N112 PolarHBondContact O-N 2.81Å; R109-N112 PolarHBondContact O-N 3.38Å; N112-S150 WeakPolarHBondContact OD1-CB 3.41Å
113L98.1Very high98.5Very high0 Ų028.6 Ų28.60%013%0.126CC..SBendtrans-136.5153.2179.859.880.9000110.8A46 A47 L54 A108 N111 L115 S150A46-L113 HydrophobicContact CB-CD2 4.47Å; A47-L113 HydrophobicContact CB-CD2 4.15Å; L54-L113 HydrophobicContact CB-CD1 4.11Å; A108-L113 PolarHBondContact O-N 2.95Å; N111-L113 VanDerWaalsContact C-N 3.29Å; N111-L113 HydrophobicContact CB-CD2 3.74Å; N111-L113 HydrophobicContact CB-CG 3.86Å; N111-L113 PolarHBondContact O-N 3.22Å; L113-L115 HydrophobicContact CD1-CB 3.87Å; L113-L115 HydrophobicContact CD1-CD1 4.3Å; L113-L115 HydrophobicContact CD1-CG 4.46Å; L113-S150 WeakPolarHBondContact O-CA 3.1Å
114Y98.9Very high98.2Very high21 Ų2130.3 Ų30.38%0.08214%0.143CC..EExtended strand (participates in β ladder)trans-71.8135165.1-80.8-115.9000108.9K52 I53 L54 F148 N149 V155 F180 D181 T182 P183 F184K52-Y114 PolarHBondContact O-N 2.63Å; I53-Y114 CarbonylContact C-O 3.14Å; I53-Y114 VanDerWaalsContact CA-O 3.24Å; I53-Y114 WeakPolarHBondContact CA-O 3.36Å; L54-Y114 PolarHBondContact N-O 2.88Å; Y114-F148 CarbonylContact C-O 3.46Å; Y114-F148 VanDerWaalsContact CA-O 3.23Å; Y114-F148 WeakPolarHBondContact CA-O 3.23Å; Y114-N149 HydrophobicContact CD1-CB 4.18Å; Y114-N149 HydrophobicContact CE1-CB 3.66Å; Y114-N149 HydrophobicContact CE2-CB 4.1Å; Y114-V155 HydrophobicContact CE1-CG2 4.48Å; Y114-F180 HydrophobicContact CD1-CD2 4.1Å; Y114-F180 AromaticContact CD1-CE2 3.82Å; Y114-F180 HydrophobicContact CD1-CE2 3.82Å; Y114-F180 HydrophobicContact CE1-CD2 4.07Å; Y114-F180 HydrophobicContact CE1-CE2 4.21Å; Y114-D181 PolarHBondContact OH-O 3.5Å; Y114-T182 HydrophobicContact CD1-CG2 4.06Å; Y114-T182 HydrophobicContact CE1-CG2 3.78Å; Y114-P183 WeakPolarHBondContact OH-CD 3.16Å; Y114-F184 AromaticContact CD2-CE1 3.6Å; Y114-F184 HydrophobicContact CD2-CE1 3.6Å; Y114-F184 HydrophobicContact CD2-CZ 4.09Å; Y114-F184 AromaticContact CE2-CE1 3.76Å; Y114-F184 HydrophobicContact CE2-CE1 3.76Å; Y114-F184 HydrophobicContact CG-CE1 4.25Å; Y114-F184 HydrophobicContact CG-CZ 4.3Å
115L98.9Very high97.6Very high0 Ų030.4 Ų30.40%014%0.143CC..EExtended strand (participates in β ladder)trans-125127.2-177.6-170.2150.7000109.3L54 F56 L104 M107 A108 L113 A117 A147 F148L54-L115 WeakPolarHBondContact O-CA 3.45Å; F56-L115 HydrophobicContact CD2-CD2 4.25Å; F56-L115 HydrophobicContact CD2-CG 4.31Å; F56-L115 HydrophobicContact CE2-CD1 4Å; F56-L115 HydrophobicContact CE2-CD2 4.36Å; F56-L115 HydrophobicContact CE2-CG 4.07Å; L104-L115 HydrophobicContact CB-CD2 4.4Å; L104-L115 HydrophobicContact CD2-CD2 3.84Å; M107-L115 HydrophobicContact CB-CD1 3.99Å; M107-L115 HydrophobicContact CG-CD1 3.74Å; M107-L115 HydrophobicContact SD-CD1 3.49Å; M107-L115 WeakPolarHBondContact SD-CD1 3.41Å; A108-L115 HydrophobicContact CB-CB 3.74Å; L113-L115 HydrophobicContact CD1-CB 3.87Å; L113-L115 HydrophobicContact CD1-CD1 4.3Å; L113-L115 HydrophobicContact CD1-CG 4.46Å; L115-A117 HydrophobicContact CD2-CB 4Å; L115-A147 WeakPolarHBondContact O-CA 3.32Å; L115-F148 HydrophobicContact CD2-CD2 4.44Å; L115-F148 PolarHBondContact N-O 3.23Å; L115-F148 PolarHBondContact O-N 2.94Å
116V98.9Very high96.2Very high1 Ų134.4 Ų34.41%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-117.3128172.9-172.90000109.3I53 L54 F56 V146 A147 F180 L190 V215I53-V116 HydrophobicContact CD1-CG2 4.3Å; L54-V116 PolarHBondContact O-N 2.59Å; F56-V116 PolarHBondContact N-O 3.5Å; V116-V146 WeakPolarHBondContact CA-O 3.48Å; V116-A147 HydrophobicContact CG2-CB 3.92Å; V116-F180 HydrophobicContact CG2-CZ 4.21Å; V116-L190 HydrophobicContact CG1-CD2 4.12Å; V116-V215 HydrophobicContact CB-CG1 3.88Å; V116-V215 HydrophobicContact CG1-CG1 3.66Å; V116-V215 HydrophobicContact CG2-CG1 4.02Å; V116-V215 HydrophobicContact CG2-CG2 4.34Å
117A98.9Very high94.5Very high0 Ų038.8 Ų38.80%019%0.191CC..EExtended strand (participates in β ladder)trans-138.2163.1178.400000110.5F56 I61 L104 L115 N145 V146F56-A117 HydrophobicContact CB-CB 4.43Å; F56-A117 HydrophobicContact CD2-CB 4.49Å; I61-A117 HydrophobicContact CD1-CB 4.43Å; L104-A117 HydrophobicContact CD1-CB 4.02Å; L104-A117 HydrophobicContact CD2-CB 3.83Å; L115-A117 HydrophobicContact CD2-CB 4Å; A117-N145 WeakPolarHBondContact O-CA 3.22Å; A117-V146 PolarHBondContact N-O 3.25Å; A117-V146 PolarHBondContact O-N 2.04Å
118N98.9Very high92.7Very high0 Ų048.7 Ų48.70%023%0.234CC..EExtended strand (participates in β ladder)trans-116.2134.2179.1-175.4-98.7000110.5P57 D59 I61 N143 T144 N145P57-N118 WeakPolarHBondContact O-CB 3.4Å; D59-N118 PolarHBondContact N-OD1 2.95Å; I61-N118 WeakPolarHBondContact CD1-O 3.48Å; N118-N143 PolarHBondContact ND2-OD1 2.82Å; N118-N143 PolarHBondContact OD1-OD1 2.84Å; N118-T144 CarbonylContact C-O 3.54Å; N118-T144 VanDerWaalsContact CA-O 3.28Å; N118-T144 WeakPolarHBondContact CA-O 3.44Å; N118-T144 PolarHBondContact ND2-O 3.02Å; N118-N145 WeakPolarHBondContact CB-OD1 3.03Å; N118-N145 PolarHBondContact ND2-OD1 3.34Å
119M98.7Very high90.8Very high0 Ų054.4 Ų54.40%027%0.269CS..EExtended strand (participates in β ladder)trans-154165.1-179.367.5-179.5-73.900111.3I61 E76 I78 V100 L101 L104 T144 V146I61-M119 HydrophobicContact CD1-CB 4.27Å; E76-M119 HydrophobicContact CB-CE 3.9Å; E76-M119 HydrophobicContact CG-CE 3.8Å; I78-M119 HydrophobicContact CD1-CE 4.43Å; I78-M119 HydrophobicContact CD1-CG 3.9Å; I78-M119 HydrophobicContact CD1-SD 4.11Å; V100-M119 HydrophobicContact CB-CE 3.91Å; V100-M119 HydrophobicContact CG1-CE 3.81Å; V100-M119 HydrophobicContact CG1-SD 3.88Å; L101-M119 HydrophobicContact CD2-CE 4.4Å; L101-M119 HydrophobicContact CD2-SD 3.7Å; L101-M119 HydrophobicContact CG-CE 4.16Å; L101-M119 HydrophobicContact CG-SD 4.06Å; L104-M119 HydrophobicContact CD1-SD 4.18Å; M119-T144 PolarHBondContact N-O 2.77Å; M119-T144 WeakPolarHBondContact O-CA 3.46Å; M119-T144 VanDerWaalsContact O-CB 3.24Å; M119-T144 WeakPolarHBondContact O-CB 3.43Å; M119-T144 PolarHBondContact O-N 3.49Å; M119-T144 VanDerWaalsContact O-O 3.1Å; M119-V146 HydrophobicContact CG-CG2 4.44Å; M119-V146 HydrophobicContact SD-CG2 4.27Å
120P98.5Very high89.1Confident0 Ų049.9 Ų49.90%026%0.257CS..EExtended strand (participates in β ladder)trans-87130.8-178.732.2-21.7000109.8H62 I71 M75 E76 F142 F169H62-P120 VanDerWaalsContact CD2-CD 3.42Å; H62-P120 WeakPolarHBondContact CD2-CD 3.39Å; H62-P120 WeakPolarHBondContact NE2-CD 3.48Å; I71-P120 HydrophobicContact CD1-CB 3.94Å; I71-P120 HydrophobicContact CD1-CG 4.49Å; I71-P120 HydrophobicContact CG1-CB 4.27Å; I71-P120 HydrophobicContact CG1-CG 4.46Å; M75-P120 WeakPolarHBondContact CA-O 3.31Å; M75-P120 HydrophobicContact CE-CB 4.07Å; M75-P120 HydrophobicContact CG-CB 3.73Å; M75-P120 HydrophobicContact CG-CG 4.06Å; E76-P120 PolarHBondContact N-O 2.92Å; P120-F142 WeakPolarHBondContact CA-O 2.82Å; P120-F169 HydrophobicContact CB-CE1 3.67Å; P120-F169 HydrophobicContact CB-CZ 3.86Å
121D98.4Very high87.6Confident0 Ų045.2 Ų45.20%025%0.25CC..EExtended strand (participates in β ladder)trans-104.3146.8178.4-172.212.4000110.7E76 I78 Q123 Q141 F142 T144 R157 H159E76-D121 WeakPolarHBondContact O-CA 3.28Å; I78-D121 HydrophobicContact CD1-CB 3.75Å; I78-D121 HydrophobicContact CG1-CB 4.03Å; I78-D121 PolarHBondContact N-OD1 2.81Å; D121-Q123 PolarHBondContact OD1-NE2 2.88Å; D121-Q123 WeakPolarHBondContact OD2-CG 3.42Å; D121-Q123 PolarHBondContact OD2-NE2 2.9Å; D121-Q141 CarbonylContact O-C 3.52Å; D121-Q141 WeakPolarHBondContact O-CA 3.33Å; D121-F142 HydrophobicContact CB-CB 4.34Å; D121-F142 PolarHBondContact N-O 2.91Å; D121-F142 PolarHBondContact O-N 2.92Å; D121-T144 HydrophobicContact CB-CG2 4.22Å; D121-T144 WeakPolarHBondContact CB-OG1 3.19Å; D121-R157 IonicContact OD2-NH1 3.45Å; D121-H159 IonicContact OD2-CD2 3.29Å; D121-H159 IonicContact OD2-CE1 3.29Å; D121-H159 IonicContact OD2-NE2 2.78Å; D121-H159 PolarHBondContact OD2-NE2 3.49Å
122L96.8Very high86.2Confident43 Ų4349.6 Ų49.623%0.22528%0.284CS..EExtended strand (participates in β ladder)trans-120.3116.7170.7-177.5151.4000109.6M75 E76 T77 P124 H139 W140M75-L122 HydrophobicContact CB-CB 3.88Å; M75-L122 HydrophobicContact CG-CB 4.39Å; M75-L122 HydrophobicContact SD-CB 4.15Å; M75-L122 HydrophobicContact SD-CD1 4.26Å; E76-L122 PolarHBondContact O-N 3.38Å; T77-L122 WeakPolarHBondContact CA-O 3.47Å; T77-L122 WeakPolarHBondContact CB-O 3.4Å; T77-L122 WeakPolarHBondContact CG2-O 3.48Å; T77-L122 PolarHBondContact OG1-O 2.61Å; L122-P124 HydrophobicContact CD2-CG 4.04Å; L122-H139 HydrophobicContact CD2-CB 4.28Å; L122-H139 HydrophobicContact CG-CB 4.26Å; L122-W140 WeakPolarHBondContact CA-O 3.45Å
123Q95.5Very high85.5Confident36 Ų3648.3 Ų48.317%0.16828%0.28CS..EExtended strand (participates in β ladder)trans-112.1107.6178.2-65.8-62.5-51.300109.9I78 D121 C125 H139 W140 F142 R157I78-Q123 PolarHBondContact O-NE2 3Å; D121-Q123 PolarHBondContact OD1-NE2 2.88Å; D121-Q123 WeakPolarHBondContact OD2-CG 3.42Å; D121-Q123 PolarHBondContact OD2-NE2 2.9Å; Q123-C125 PolarHBondContact O-N 3.39Å; Q123-H139 CarbonylContact O-C 3.48Å; Q123-H139 WeakPolarHBondContact O-CA 3.49Å; Q123-W140 HydrophobicContact CB-CB 4.39Å; Q123-W140 HydrophobicContact CB-CE3 4.19Å; Q123-W140 PolarHBondContact N-O 2.88Å; Q123-W140 PolarHBondContact O-N 3.36Å; Q123-F142 HydrophobicContact CB-CD2 4.43Å; Q123-F142 HydrophobicContact CB-CE2 4.04Å; Q123-F142 HydrophobicContact CG-CD2 3.94Å; Q123-F142 HydrophobicContact CG-CE2 3.9Å; Q123-R157 VanDerWaalsContact CD-NH1 3.28Å; Q123-R157 VanDerWaalsContact NE2-NH1 3.16Å
124P92Very high85Confident78 Ų7849.2 Ų49.251%0.50629%0.286SS..EExtended strand (participates in β ladder)trans-61.1136.8178.3-2233.4000111.8L122L122-P124 HydrophobicContact CD2-CG 4.04Å
125C87.6Confident84.6Confident2 Ų249.2 Ų49.21%0.01429%0.288CS..  trans-126.4100.5174.357.60000109.9Q123 L127 A130 C134 G138 H139 W140Q123-C125 PolarHBondContact O-N 3.39Å; C125-L127 PolarHBondContact O-N 2.78Å; C125-A130 HydrophobicContact CB-CB 4.06Å; C125-C134 HydrophobicContact CB-CB 3.78Å; C125-C134 WeakPolarHBondContact CB-SG 3.29Å; C125-C134 PolarHBondContact O-SG 3.19Å; C125-C134 WeakPolarHBondContact SG-CB 3.41Å; C125-C134 CovalentContact SG-SG 2.02Å; C125-C134 PolarHBondContact SG-SG 3.47Å; C125-G138 CarbonylContact C-O 3.58Å; C125-G138 PolarHBondContact N-O 2.8Å; C125-G138 VanDerWaalsContact O-O 3.09Å; C125-H139 VanDerWaalsContact SG-CA 3.52Å; C125-H139 PolarHBondContact SG-N 3.08Å; C125-H139 VanDerWaalsContact SG-N 3.41Å; C125-W140 HydrophobicContact CB-CD2 4.03Å; C125-W140 HydrophobicContact CB-CE3 3.59Å; C125-W140 HydrophobicContact CB-CH2 3.34Å; C125-W140 HydrophobicContact CB-CZ2 3.78Å; C125-W140 HydrophobicContact CB-CZ3 3.27Å
126P67.8Low84.1Confident83 Ų8356 Ų5654%0.53933%0.33SS..  trans-64.7109.7-174.2-18.229000111.2K128 T129 A130P126-K128 PolarHBondContact O-N 3.15Å; P126-T129 PolarHBondContact O-N 3Å; P126-T129 PolarHBondContact O-OG1 2.95Å; P126-A130 WeakPolarHBondContact O-CB 3.3Å; P126-A130 PolarHBondContact O-N 2.85Å
127L64.3Low83.7Confident111 Ų11159.6 Ų59.658%0.58135%0.349SS*.THydrogen-bonded Turntrans-52.4-20-173.4-67.8170000115.7C125C125-L127 PolarHBondContact O-N 2.78Å
128K60.1Low83.4Confident209 Ų20960.4 Ų60.491%0.90936%0.358SS*.THydrogen-bonded Turntrans-83.1-21.3178.6-65.4-175.2-179.9179.50114.1P126P126-K128 PolarHBondContact O-N 3.15Å
129T60Low83.1Confident120 Ų12062 Ų6274%0.73637%0.365SS*.THydrogen-bonded Turntrans-130.8-6.9-175.654.80000112.6P126P126-T129 PolarHBondContact O-N 3Å; P126-T129 PolarHBondContact O-OG1 2.95Å
130A62.6Low83Confident27 Ų2763.9 Ų63.922%0.22337%0.372CS..SBendtrans-75.9156.1-177.100000111.8C125 P126 C134C125-A130 HydrophobicContact CB-CB 4.06Å; P126-A130 WeakPolarHBondContact O-CB 3.3Å; P126-A130 PolarHBondContact O-N 2.85Å; A130-C134 HydrophobicContact CB-CB 3.78Å
131P67.1Low83Confident77 Ų7764 Ų6450%0.537%0.373SS..  trans-59.7159.5171.4-14.728.1000110.8T133 C134P131-T133 PolarHBondContact O-N 3.47Å; P131-C134 PolarHBondContact O-N 3Å; P131-C134 VanDerWaalsContact O-N 3.11Å
132S70.6Confident83Confident130 Ų13064.3 Ų64.391%0.90937%0.374SS*.THydrogen-bonded Turntrans-59.3-6.3174.757.50000114.6
133T82.6Confident83.1Confident77 Ų7762.3 Ų62.347%0.47236%0.364SS..THydrogen-bonded Turntrans-92.90.8179.460.20000113.8P131 W140P131-T133 PolarHBondContact O-N 3.47Å; T133-W140 PolarHBondContact O-NE1 3.02Å; T133-W140 VanDerWaalsContact O-NE1 3.14Å
134C87.8Confident83.2Confident19 Ų1960.6 Ų60.613%0.12836%0.356CS..SBendtrans-71.7129.9174.5175.30000110.8C125 A130 P131 W140C125-C134 HydrophobicContact CB-CB 3.78Å; C125-C134 WeakPolarHBondContact CB-SG 3.29Å; C125-C134 PolarHBondContact O-SG 3.19Å; C125-C134 WeakPolarHBondContact SG-CB 3.41Å; C125-C134 CovalentContact SG-SG 2.02Å; C125-C134 PolarHBondContact SG-SG 3.47Å; A130-C134 HydrophobicContact CB-CB 3.78Å; P131-C134 PolarHBondContact O-N 3Å; P131-C134 VanDerWaalsContact O-N 3.11Å; C134-W140 HydrophobicContact CB-CZ2 4.08Å
135P90.3Very high83.6Confident21 Ų2156.9 Ų56.914%0.13633%0.331CS..  trans-56.6156.2175.3-29.837.8000113.4D137 G138 H139P135-D137 WeakPolarHBondContact CB-OD1 3.23Å; P135-D137 PolarHBondContact O-N 2.89Å; P135-D137 VanDerWaalsContact O-N 3.15Å; P135-G138 PolarHBondContact O-N 3.04Å; P135-H139 WeakPolarHBondContact CG-O 3.48Å
136T89.4Confident84.1Confident142 Ų14256.8 Ų56.887%0.87133%0.331SS*.THydrogen-bonded Turntrans-65.5-19.5-172.250.70000114.5
137D90.6Very high85.6Confident76 Ų7652.9 Ų52.941%0.40631%0.305SS..THydrogen-bonded Turntrans-97.714.5174.560.1-10.2000113R68 P135 H139R68-D137 IonicContact CZ-OD1 3.95Å; R68-D137 IonicContact CZ-OD2 2.76Å; R68-D137 VanDerWaalsContact NE-CG 3.35Å; R68-D137 IonicContact NE-OD1 3.76Å; R68-D137 PolarHBondContact NE-OD1 2.88Å; R68-D137 IonicContact NE-OD2 2.78Å; R68-D137 PolarHBondContact NE-OD2 2.97Å; R68-D137 IonicContact NH2-OD1 2.66Å; R68-D137 PolarHBondContact NH2-OD1 2.92Å; R68-D137 IonicContact NH2-OD2 3.7Å; R68-D137 PolarHBondContact NH2-OD2 2.98Å; P135-D137 WeakPolarHBondContact CB-OD1 3.23Å; P135-D137 PolarHBondContact O-N 2.89Å; P135-D137 VanDerWaalsContact O-N 3.15Å; D137-H139 PolarHBondContact O-N 2.55Å; D137-H139 PolarHBondContact O-ND1 2.92Å; D137-H139 IonicContact OD1-CE1 3.66Å; D137-H139 IonicContact OD1-ND1 3.79Å; D137-H139 IonicContact OD2-CE1 3.95Å; D137-H139 PolarHBondContact OD2-CE1 2.99Å; D137-H139 VanDerWaalsContact OD2-CE1 3.28Å; D137-H139 IonicContact OD2-NE2 3.01Å
138G90.8Very high87.2Confident18 Ų1847.6 Ų47.619%0.18628%0.277CS..SBendtrans77.718.216000000116C125 P135C125-G138 CarbonylContact C-O 3.58Å; C125-G138 PolarHBondContact N-O 2.8Å; C125-G138 VanDerWaalsContact O-O 3.09Å; P135-G138 PolarHBondContact O-N 3.04Å
139H93.4Very high89.1Confident33 Ų3338.6 Ų38.615%0.15324%0.239CC..EExtended strand (participates in β ladder)trans-153.2147.8174.660.8-75.1000111.4R68 L122 Q123 C125 P135 D137 Q141R68-H139 PolarHBondContact NH2-CD2 2.79Å; R68-H139 PolarHBondContact NH2-CE1 3.08Å; R68-H139 VanDerWaalsContact NH2-CE1 3.32Å; R68-H139 PolarHBondContact NH2-NE2 2.69Å; R68-H139 VanDerWaalsContact NH2-NE2 3.14Å; R68-H139 PolarHBondContact NH2-O 3.24Å; L122-H139 HydrophobicContact CD2-CB 4.28Å; L122-H139 HydrophobicContact CG-CB 4.26Å; Q123-H139 CarbonylContact O-C 3.48Å; Q123-H139 WeakPolarHBondContact O-CA 3.49Å; C125-H139 VanDerWaalsContact SG-CA 3.52Å; C125-H139 PolarHBondContact SG-N 3.08Å; C125-H139 VanDerWaalsContact SG-N 3.41Å; P135-H139 WeakPolarHBondContact CG-O 3.48Å; D137-H139 PolarHBondContact O-N 2.55Å; D137-H139 PolarHBondContact O-ND1 2.92Å; D137-H139 IonicContact OD1-CE1 3.66Å; D137-H139 IonicContact OD1-ND1 3.79Å; D137-H139 IonicContact OD2-CE1 3.95Å; D137-H139 PolarHBondContact OD2-CE1 2.99Å; D137-H139 VanDerWaalsContact OD2-CE1 3.28Å; D137-H139 IonicContact OD2-NE2 3.01Å; H139-Q141 PolarHBondContact NE2-OE1 3.08Å
140W96.3Very high90.9Very high40 Ų4034.2 Ų34.215%0.15221%0.214CC..EExtended strand (participates in β ladder)trans-85.4148.1166-60.1-74.2000110.7L122 Q123 C125 T133 C134 F142 D170L122-W140 WeakPolarHBondContact CA-O 3.45Å; Q123-W140 HydrophobicContact CB-CB 4.39Å; Q123-W140 HydrophobicContact CB-CE3 4.19Å; Q123-W140 PolarHBondContact N-O 2.88Å; Q123-W140 PolarHBondContact O-N 3.36Å; C125-W140 HydrophobicContact CB-CD2 4.03Å; C125-W140 HydrophobicContact CB-CE3 3.59Å; C125-W140 HydrophobicContact CB-CH2 3.34Å; C125-W140 HydrophobicContact CB-CZ2 3.78Å; C125-W140 HydrophobicContact CB-CZ3 3.27Å; T133-W140 PolarHBondContact O-NE1 3.02Å; T133-W140 VanDerWaalsContact O-NE1 3.14Å; C134-W140 HydrophobicContact CB-CZ2 4.08Å; W140-F142 HydrophobicContact CB-CD2 4.2Å; W140-F142 HydrophobicContact CB-CE1 4Å; W140-F142 HydrophobicContact CB-CE2 3.4Å; W140-F142 VanDerWaalsContact CB-CE2 3.4Å; W140-F142 HydrophobicContact CB-CZ 3.29Å; W140-F142 HydrophobicContact CD2-CZ 4.34Å; W140-F142 HydrophobicContact CG-CE1 4.45Å; W140-F142 HydrophobicContact CG-CE2 4.12Å; W140-F142 AromaticContact CG-CZ 3.66Å; W140-F142 HydrophobicContact CG-CZ 3.66Å; W140-D170 WeakPolarHBondContact CA-OD2 3.11Å
141Q98.1Very high92.6Very high2 Ų237.6 Ų37.61%0.00923%0.228CC..EExtended strand (participates in β ladder)trans-121.6121.9175.5-65.7-167.7146.400108.7R68 M75 D121 H139 S168 F169 D170R68-Q141 PolarHBondContact O-NE2 3.11Å; R68-Q141 VanDerWaalsContact O-NE2 3.17Å; R68-Q141 PolarHBondContact O-OE1 3.22Å; M75-Q141 HydrophobicContact CE-CB 3.48Å; M75-Q141 VanDerWaalsContact CE-CB 3.48Å; M75-Q141 VanDerWaalsContact CE-CD 3.43Å; M75-Q141 HydrophobicContact CE-CG 3.57Å; M75-Q141 HydrophobicContact SD-CB 4.31Å; M75-Q141 HydrophobicContact SD-CG 3.8Å; M75-Q141 PolarHBondContact SD-OE1 3.02Å; M75-Q141 VanDerWaalsContact SD-OE1 3.38Å; D121-Q141 CarbonylContact O-C 3.52Å; D121-Q141 WeakPolarHBondContact O-CA 3.33Å; H139-Q141 PolarHBondContact NE2-OE1 3.08Å; Q141-S168 WeakPolarHBondContact CB-O 3.1Å; Q141-S168 PolarHBondContact NE2-O 2.81Å; Q141-F169 HydrophobicContact CB-CD1 4.38Å; Q141-F169 CarbonylContact O-C 3.53Å; Q141-F169 VanDerWaalsContact O-CA 3.32Å; Q141-F169 WeakPolarHBondContact O-CA 3.45Å; Q141-D170 PolarHBondContact N-OD2 3.19Å; Q141-D170 PolarHBondContact O-N 3.08Å
142F98.6Very high94.1Very high7 Ų733.9 Ų33.93%0.03120%0.204CC..EExtended strand (participates in β ladder)trans-123.9141.1-174.1-60.6-60.8000113.3P120 D121 Q123 W140 T144 H159 F169 D170 P172P120-F142 WeakPolarHBondContact CA-O 2.82Å; D121-F142 HydrophobicContact CB-CB 4.34Å; D121-F142 PolarHBondContact N-O 2.91Å; D121-F142 PolarHBondContact O-N 2.92Å; Q123-F142 HydrophobicContact CB-CD2 4.43Å; Q123-F142 HydrophobicContact CB-CE2 4.04Å; Q123-F142 HydrophobicContact CG-CD2 3.94Å; Q123-F142 HydrophobicContact CG-CE2 3.9Å; W140-F142 HydrophobicContact CB-CD2 4.2Å; W140-F142 HydrophobicContact CB-CE1 4Å; W140-F142 HydrophobicContact CB-CE2 3.4Å; W140-F142 VanDerWaalsContact CB-CE2 3.4Å; W140-F142 HydrophobicContact CB-CZ 3.29Å; W140-F142 HydrophobicContact CD2-CZ 4.34Å; W140-F142 HydrophobicContact CG-CE1 4.45Å; W140-F142 HydrophobicContact CG-CE2 4.12Å; W140-F142 AromaticContact CG-CZ 3.66Å; W140-F142 HydrophobicContact CG-CZ 3.66Å; F142-T144 PolarHBondContact O-N 3.37Å; F142-T144 PolarHBondContact O-OG1 2.81Å; F142-H159 HydrophobicContact CB-CB 3.97Å; F142-H159 WeakPolarHBondContact CB-CD2 3.22Å; F142-H159 HydrophobicContact CD1-CB 4.17Å; F142-H159 AromaticContact CD2-CD2 3.62Å; F142-H159 AromaticContact CD2-CE1 3.69Å; F142-H159 AromaticContact CD2-CG 3.73Å; F142-H159 AromaticContact CD2-ND1 3.78Å; F142-H159 AromaticContact CD2-NE2 3.61Å; F142-H159 HydrophobicContact CG-CB 3.98Å; F142-H159 AromaticContact CG-CD2 3.64Å; F142-H159 AromaticContact CG-CG 3.64Å; F142-F169 VanDerWaalsContact C-CE1 3.48Å; F142-F169 WeakPolarHBondContact O-CE1 3.17Å; F142-D170 HydrophobicContact CD1-CB 4.46Å; F142-D170 VanDerWaalsContact CD1-O 3.27Å; F142-D170 WeakPolarHBondContact CD1-O 3.09Å; F142-D170 HydrophobicContact CE1-CB 4.1Å; F142-P172 HydrophobicContact CD1-CG 4.2Å; F142-P172 HydrophobicContact CE1-CB 4.39Å; F142-P172 HydrophobicContact CE1-CG 4.09Å
143N98.9Very high95.5Very high1 Ų129.8 Ų29.81%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-73.9118.6161.1177.8-30.9000107.7E58 N118 H159 K160 E166 F169E58-N143 PolarHBondContact OE1-ND2 3.46Å; N118-N143 PolarHBondContact ND2-OD1 2.82Å; N118-N143 PolarHBondContact OD1-OD1 2.84Å; N143-H159 WeakPolarHBondContact O-CA 3.22Å; N143-K160 HydrophobicContact CB-CB 3.89Å; N143-K160 HydrophobicContact CB-CD 4.15Å; N143-K160 WeakPolarHBondContact ND2-CD 3.37Å; N143-K160 PolarHBondContact O-N 2.77Å; N143-E166 PolarHBondContact ND2-OE1 2.95Å; N143-F169 HydrophobicContact CB-CD1 4.42Å; N143-F169 HydrophobicContact CB-CD2 3.6Å; N143-F169 HydrophobicContact CB-CE1 4.48Å; N143-F169 HydrophobicContact CB-CE2 3.7Å; N143-F169 HydrophobicContact CB-CG 3.99Å; N143-F169 HydrophobicContact CB-CZ 4.14Å; N143-F169 VanDerWaalsContact N-CD1 3.32Å
144T98.9Very high96.2Very high0 Ų026.5 Ų26.50%015%0.151CC..EExtended strand (participates in β ladder)trans-133.7123-160.7-46.40000113.1I78 N118 M119 D121 F142 V146 R157 Y158 H159I78-T144 HydrophobicContact CD1-CG2 3.87Å; N118-T144 CarbonylContact C-O 3.54Å; N118-T144 VanDerWaalsContact CA-O 3.28Å; N118-T144 WeakPolarHBondContact CA-O 3.44Å; N118-T144 PolarHBondContact ND2-O 3.02Å; M119-T144 PolarHBondContact N-O 2.77Å; M119-T144 WeakPolarHBondContact O-CA 3.46Å; M119-T144 VanDerWaalsContact O-CB 3.24Å; M119-T144 WeakPolarHBondContact O-CB 3.43Å; M119-T144 PolarHBondContact O-N 3.49Å; M119-T144 VanDerWaalsContact O-O 3.1Å; D121-T144 HydrophobicContact CB-CG2 4.22Å; D121-T144 WeakPolarHBondContact CB-OG1 3.19Å; F142-T144 PolarHBondContact O-N 3.37Å; F142-T144 PolarHBondContact O-OG1 2.81Å; T144-V146 HydrophobicContact CG2-CG1 4.46Å; T144-R157 HydrophobicContact CG2-CG 3.53Å; T144-Y158 CarbonylContact C-O 3.59Å; T144-Y158 VanDerWaalsContact CA-O 3.31Å; T144-Y158 WeakPolarHBondContact CA-O 3.46Å; T144-H159 PolarHBondContact OG1-CD2 2.93Å
145N98.9Very high96.8Very high0 Ų027.5 Ų27.50%016%0.156CC..EExtended strand (participates in β ladder)trans-83.1133.5163.9-84.4-3.5000110A117 N118 R157 Y158 L190 I191 I192 S217A117-N145 WeakPolarHBondContact O-CA 3.22Å; N118-N145 WeakPolarHBondContact CB-OD1 3.03Å; N118-N145 PolarHBondContact ND2-OD1 3.34Å; N145-R157 CarbonylContact O-C 3.58Å; N145-R157 WeakPolarHBondContact O-CA 3.16Å; N145-Y158 HydrophobicContact CB-CD1 4.47Å; N145-Y158 PolarHBondContact N-O 3.32Å; N145-Y158 PolarHBondContact O-N 3.4Å; N145-L190 HydrophobicContact CB-CD1 4.27Å; N145-I191 PolarHBondContact ND2-O 3.24Å; N145-I192 HydrophobicContact CB-CD1 4.05Å; N145-I192 HydrophobicContact CB-CG1 4.26Å; N145-I192 VanDerWaalsContact CG-CG1 3.43Å; N145-I192 WeakPolarHBondContact ND2-CG1 3.39Å; N145-S217 WeakPolarHBondContact OD1-CB 3.12Å
146V98.9Very high97.2Very high0 Ų026.6 Ų26.60%015%0.151CC..EExtended strand (participates in β ladder)trans-117.9139.3168.6-69.80000110.2I78 L101 L104 V116 A117 M119 T144 F148 L154 A156I78-V146 HydrophobicContact CD1-CG1 3.68Å; I78-V146 HydrophobicContact CG2-CG1 3.82Å; L101-V146 HydrophobicContact CD2-CG1 4.16Å; L101-V146 HydrophobicContact CD2-CG2 4.47Å; L104-V146 HydrophobicContact CD1-CG2 4.18Å; V116-V146 WeakPolarHBondContact CA-O 3.48Å; A117-V146 PolarHBondContact N-O 3.25Å; A117-V146 PolarHBondContact O-N 2.04Å; M119-V146 HydrophobicContact CG-CG2 4.44Å; M119-V146 HydrophobicContact SD-CG2 4.27Å; T144-V146 HydrophobicContact CG2-CG1 4.46Å; V146-F148 HydrophobicContact CB-CE2 4.15Å; V146-F148 HydrophobicContact CB-CZ 4.48Å; V146-F148 HydrophobicContact CG2-CE2 3.74Å; V146-F148 HydrophobicContact CG2-CZ 4.34Å; V146-L154 HydrophobicContact CB-CD1 3.93Å; V146-L154 HydrophobicContact CG1-CD1 4.12Å; V146-A156 WeakPolarHBondContact CA-O 3.19Å
147A98.9Very high97.6Very high0 Ų020.9 Ų20.90%011%0.114CC..EExtended strand (participates in β ladder)trans-119.5131.8174.700000110.7L115 V116 V155 A156 F180L115-A147 WeakPolarHBondContact O-CA 3.32Å; V116-A147 HydrophobicContact CG2-CB 3.92Å; A147-V155 HydrophobicContact CB-CG2 4.05Å; A147-V155 VanDerWaalsContact O-CG2 3.32Å; A147-V155 WeakPolarHBondContact O-CG2 3.37Å; A147-V155 PolarHBondContact O-N 3.11Å; A147-A156 HydrophobicContact CB-CB 4.02Å; A147-A156 PolarHBondContact N-O 3.12Å; A147-A156 PolarHBondContact O-N 3Å; A147-F180 HydrophobicContact CB-CD1 4.04Å; A147-F180 HydrophobicContact CB-CE1 3.97Å; A147-F180 HydrophobicContact CB-CG 4.47Å; A147-F180 HydrophobicContact CB-CZ 4.32Å
148F98.9Very high98Very high0 Ų017.3 Ų17.30%09%0.094CC..EExtended strand (participates in β ladder)trans-112.1138.5173.3-60.8-82.6000110P88 L101 L104 A108 Y114 L115 V146 G152 L153 L154P88-F148 HydrophobicContact CG-CE1 3.92Å; L101-F148 HydrophobicContact CD2-CZ 3.89Å; L104-F148 HydrophobicContact CB-CD2 4Å; L104-F148 HydrophobicContact CB-CE2 3.49Å; L104-F148 VanDerWaalsContact CB-CE2 3.49Å; L104-F148 HydrophobicContact CB-CZ 4.14Å; L104-F148 HydrophobicContact CD1-CE2 4.18Å; L104-F148 HydrophobicContact CG-CE2 4.48Å; A108-F148 HydrophobicContact CB-CB 3.79Å; Y114-F148 CarbonylContact C-O 3.46Å; Y114-F148 VanDerWaalsContact CA-O 3.23Å; Y114-F148 WeakPolarHBondContact CA-O 3.23Å; L115-F148 HydrophobicContact CD2-CD2 4.44Å; L115-F148 PolarHBondContact N-O 3.23Å; L115-F148 PolarHBondContact O-N 2.94Å; V146-F148 HydrophobicContact CB-CE2 4.15Å; V146-F148 HydrophobicContact CB-CZ 4.48Å; V146-F148 HydrophobicContact CG2-CE2 3.74Å; V146-F148 HydrophobicContact CG2-CZ 4.34Å; F148-G152 WeakPolarHBondContact CD1-O 3.23Å; F148-L153 CarbonylContact C-O 3.56Å; F148-L153 VanDerWaalsContact CA-O 3.24Å; F148-L153 WeakPolarHBondContact CA-O 3.48Å; F148-L154 HydrophobicContact CD1-CB 4.14Å; F148-L154 HydrophobicContact CD1-CD1 4.19Å; F148-L154 HydrophobicContact CE1-CB 3.85Å; F148-L154 HydrophobicContact CE1-CD1 3.65Å; F148-L154 HydrophobicContact CE1-CG 4.33Å; F148-L154 HydrophobicContact CE2-CD1 4.45Å; F148-L154 HydrophobicContact CZ-CD1 3.81Å
149N98.8Very high98.4Very high20 Ų2016.6 Ų16.611%0.1079%0.086CC..  trans-76.3177.2170.4774.2000111.5Y114 D151 G152 L153 V155Y114-N149 HydrophobicContact CD1-CB 4.18Å; Y114-N149 HydrophobicContact CE1-CB 3.66Å; Y114-N149 HydrophobicContact CE2-CB 4.1Å; N149-D151 PolarHBondContact O-N 2.63Å; N149-D151 VanDerWaalsContact O-N 3.12Å; N149-D151 WeakPolarHBondContact OD1-CA 3.49Å; N149-D151 WeakPolarHBondContact OD1-CB 3.41Å; N149-D151 PolarHBondContact OD1-N 2.99Å; N149-G152 PolarHBondContact O-N 3.41Å; N149-G152 PolarHBondContact OD1-N 3.04Å; N149-G152 VanDerWaalsContact OD1-N 3.16Å; N149-L153 PolarHBondContact N-O 2.91Å; N149-L153 WeakPolarHBondContact OD1-CB 3.42Å; N149-L153 PolarHBondContact OD1-N 3.08Å; N149-V155 HydrophobicContact CB-CG1 3.84Å; N149-V155 HydrophobicContact CB-CG2 4.46Å
150S98.5Very high98.6Very high28 Ų2815.2 Ų15.220%0.1968%0.08CC..THydrogen-bonded Turntrans-64.4-13-179.852.80000115.3R109 N112 L113R109-S150 WeakPolarHBondContact CA-O 3.3Å; N112-S150 WeakPolarHBondContact OD1-CB 3.41Å; L113-S150 WeakPolarHBondContact O-CA 3.1Å
151D98.6Very high98.7Very high98 Ų9815 Ų1552%0.5248%0.081SC..THydrogen-bonded Turntrans-93.8-4.7173.6-62.6-45.8000112.5N87 R109 N149N87-D151 PolarHBondContact ND2-O 3.49Å; R109-D151 VanDerWaalsContact CD-O 3.26Å; R109-D151 WeakPolarHBondContact CD-O 3.45Å; R109-D151 WeakPolarHBondContact CG-O 3.07Å; N149-D151 PolarHBondContact O-N 2.63Å; N149-D151 VanDerWaalsContact O-N 3.12Å; N149-D151 WeakPolarHBondContact OD1-CA 3.49Å; N149-D151 WeakPolarHBondContact OD1-CB 3.41Å; N149-D151 PolarHBondContact OD1-N 2.99Å
152G98.7Very high98.7Very high0 Ų016.3 Ų16.30%09%0.088CC..SBendtrans86.85.8-174.900000114.4N87 S105 F148 N149N87-G152 PolarHBondContact OD1-O 2.84Å; S105-G152 WeakPolarHBondContact CB-O 3.21Å; S105-G152 WeakPolarHBondContact O-CA 3.37Å; S105-G152 PolarHBondContact OG-O 3.13Å; F148-G152 WeakPolarHBondContact CD1-O 3.23Å; N149-G152 PolarHBondContact O-N 3.41Å; N149-G152 PolarHBondContact OD1-N 3.04Å; N149-G152 VanDerWaalsContact OD1-N 3.16Å
153L98.8Very high98.7Very high44 Ų4417.6 Ų17.623%0.2310%0.095CC..  trans-68.3133.6175.2-176.772.9000109.8S85 W86 N87 F148 N149 V155S85-L153 WeakPolarHBondContact OG-CD1 3.31Å; W86-L153 WeakPolarHBondContact O-CD1 3.47Å; N87-L153 HydrophobicContact CB-CD1 4.14Å; N87-L153 PolarHBondContact ND2-N 2.69Å; F148-L153 CarbonylContact C-O 3.56Å; F148-L153 VanDerWaalsContact CA-O 3.24Å; F148-L153 WeakPolarHBondContact CA-O 3.48Å; N149-L153 PolarHBondContact N-O 2.91Å; N149-L153 WeakPolarHBondContact OD1-CB 3.42Å; N149-L153 PolarHBondContact OD1-N 3.08Å; L153-V155 HydrophobicContact CB-CG1 4.42Å; L153-V155 HydrophobicContact CD2-CG1 4.1Å; L153-V155 HydrophobicContact CG-CG1 4.27Å; L153-V155 PolarHBondContact O-N 3.03Å
154L98.9Very high98.5Very high7 Ų722 Ų224%0.03711%0.112CC..EExtended strand (participates in β ladder)trans-69.3116.9170-177.968.7000108.5I78 P79 P81 W86 V146 F148I78-L154 HydrophobicContact CG2-CD2 3.98Å; P79-L154 HydrophobicContact CG-CD2 4.3Å; P81-L154 HydrophobicContact CG-CD2 3.81Å; P81-L154 HydrophobicContact CG-CG 3.7Å; W86-L154 HydrophobicContact CE3-CD2 4.47Å; W86-L154 PolarHBondContact O-N 3.29Å; V146-L154 HydrophobicContact CB-CD1 3.93Å; V146-L154 HydrophobicContact CG1-CD1 4.12Å; F148-L154 HydrophobicContact CD1-CB 4.14Å; F148-L154 HydrophobicContact CD1-CD1 4.19Å; F148-L154 HydrophobicContact CE1-CB 3.85Å; F148-L154 HydrophobicContact CE1-CD1 3.65Å; F148-L154 HydrophobicContact CE1-CG 4.33Å; F148-L154 HydrophobicContact CE2-CD1 4.45Å; F148-L154 HydrophobicContact CZ-CD1 3.81Å
155V98.8Very high98.2Very high40 Ų4028.9 Ų28.924%0.24214%0.139CC..EExtended strand (participates in β ladder)trans-114.5-14.3-174.3-66.90000114.1Y114 A147 N149 L153 F180Y114-V155 HydrophobicContact CE1-CG2 4.48Å; A147-V155 HydrophobicContact CB-CG2 4.05Å; A147-V155 VanDerWaalsContact O-CG2 3.32Å; A147-V155 WeakPolarHBondContact O-CG2 3.37Å; A147-V155 PolarHBondContact O-N 3.11Å; N149-V155 HydrophobicContact CB-CG1 3.84Å; N149-V155 HydrophobicContact CB-CG2 4.46Å; L153-V155 HydrophobicContact CB-CG1 4.42Å; L153-V155 HydrophobicContact CD2-CG1 4.1Å; L153-V155 HydrophobicContact CG-CG1 4.27Å; L153-V155 PolarHBondContact O-N 3.03Å; V155-F180 HydrophobicContact CB-CB 4.43Å; V155-F180 HydrophobicContact CG2-CB 4.14Å; V155-F180 HydrophobicContact CG2-CD2 4.3Å; V155-F180 HydrophobicContact CG2-CG 4.28Å
156A98.6Very high98Very high3 Ų330.2 Ų30.23%0.02515%0.145CC..EExtended strand (participates in β ladder)trans-155.7149.3170.800000111.8V146 A147 I178 F180 L190V146-A156 WeakPolarHBondContact CA-O 3.19Å; A147-A156 HydrophobicContact CB-CB 4.02Å; A147-A156 PolarHBondContact N-O 3.12Å; A147-A156 PolarHBondContact O-N 3Å; A156-I178 HydrophobicContact CB-CG2 3.76Å; A156-F180 HydrophobicContact CB-CB 4.14Å; A156-F180 HydrophobicContact CB-CD1 4Å; A156-F180 HydrophobicContact CB-CG 4.43Å; A156-L190 HydrophobicContact CB-CD1 3.69Å
157R98.6Very high97.8Very high22 Ų2235.7 Ų35.78%0.08317%0.17CC..EExtended strand (participates in β ladder)trans-133.9126.5168.8179.7-167.465.8176.1-2107.1I78 D80 P81 D121 Q123 T144 N145 I178I78-R157 HydrophobicContact CB-CG 4.39Å; I78-R157 HydrophobicContact CG2-CB 4.34Å; I78-R157 HydrophobicContact CG2-CG 3.92Å; I78-R157 PolarHBondContact O-NH1 3.23Å; D80-R157 IonicContact OD2-NH2 2.72Å; D80-R157 PolarHBondContact OD2-NH2 3.31Å; P81-R157 HydrophobicContact CG-CB 4.37Å; D121-R157 IonicContact OD2-NH1 3.45Å; Q123-R157 VanDerWaalsContact CD-NH1 3.28Å; Q123-R157 VanDerWaalsContact NE2-NH1 3.16Å; T144-R157 HydrophobicContact CG2-CG 3.53Å; N145-R157 CarbonylContact O-C 3.58Å; N145-R157 WeakPolarHBondContact O-CA 3.16Å; R157-I178 WeakPolarHBondContact O-CG1 3.46Å; R157-I178 WeakPolarHBondContact O-CG2 3.35Å
158Y98.8Very high97.7Very high1 Ų136 Ų360%0.00417%0.173CC..EExtended strand (participates in β ladder)trans-130.9124.4177.9167.2-109.7000110.3T144 N145 Q161 E176 I178 L190 I192 D195 P201T144-Y158 CarbonylContact C-O 3.59Å; T144-Y158 VanDerWaalsContact CA-O 3.31Å; T144-Y158 WeakPolarHBondContact CA-O 3.46Å; N145-Y158 HydrophobicContact CB-CD1 4.47Å; N145-Y158 PolarHBondContact N-O 3.32Å; N145-Y158 PolarHBondContact O-N 3.4Å; Y158-Q161 PolarHBondContact OH-N 3.47Å; Y158-Q161 VanDerWaalsContact OH-N 3.13Å; Y158-E176 HydrophobicContact CD2-CB 4.17Å; Y158-E176 HydrophobicContact CE2-CB 4.35Å; Y158-I178 HydrophobicContact CD2-CB 4.19Å; Y158-I178 HydrophobicContact CD2-CG1 3.9Å; Y158-I178 HydrophobicContact CG-CB 4.44Å; Y158-I178 HydrophobicContact CG-CG1 4.43Å; Y158-L190 HydrophobicContact CD1-CB 4.11Å; Y158-L190 HydrophobicContact CG-CB 4.01Å; Y158-I192 HydrophobicContact CD1-CD1 3.59Å; Y158-I192 HydrophobicContact CD1-CG1 3.84Å; Y158-I192 HydrophobicContact CE1-CB 4.22Å; Y158-I192 HydrophobicContact CE1-CD1 3.66Å; Y158-I192 HydrophobicContact CE1-CG1 3.73Å; Y158-D195 WeakPolarHBondContact CE1-OD2 3.5Å; Y158-D195 PolarHBondContact OH-OD1 3.36Å; Y158-D195 PolarHBondContact OH-OD2 2.88Å; Y158-P201 HydrophobicContact CE2-CG 3.93Å; Y158-P201 WeakPolarHBondContact OH-CD 3.4Å; Y158-P201 VanDerWaalsContact OH-CG 3.24Å; Y158-P201 WeakPolarHBondContact OH-CG 3.45Å
159H98.8Very high97.7Very high3 Ų336.8 Ų36.81%0.01418%0.176CC..EExtended strand (participates in β ladder)trans-91130.2173.2-55130.2000111D121 F142 N143 T144 Q161 P172 E176D121-H159 IonicContact OD2-CD2 3.29Å; D121-H159 IonicContact OD2-CE1 3.29Å; D121-H159 IonicContact OD2-NE2 2.78Å; D121-H159 PolarHBondContact OD2-NE2 3.49Å; F142-H159 HydrophobicContact CB-CB 3.97Å; F142-H159 WeakPolarHBondContact CB-CD2 3.22Å; F142-H159 HydrophobicContact CD1-CB 4.17Å; F142-H159 AromaticContact CD2-CD2 3.62Å; F142-H159 AromaticContact CD2-CE1 3.69Å; F142-H159 AromaticContact CD2-CG 3.73Å; F142-H159 AromaticContact CD2-ND1 3.78Å; F142-H159 AromaticContact CD2-NE2 3.61Å; F142-H159 HydrophobicContact CG-CB 3.98Å; F142-H159 AromaticContact CG-CD2 3.64Å; F142-H159 AromaticContact CG-CG 3.64Å; N143-H159 WeakPolarHBondContact O-CA 3.22Å; T144-H159 PolarHBondContact OG1-CD2 2.93Å; H159-Q161 PolarHBondContact O-N 2.8Å; H159-P172 HydrophobicContact CB-CB 4.41Å; H159-P172 HydrophobicContact CB-CG 3.39Å; H159-E176 IonicContact CE1-OE1 3.48Å; H159-E176 IonicContact CG-OE1 3.57Å; H159-E176 IonicContact CG-OE2 3.82Å; H159-E176 PolarHBondContact N-OE2 3.26Å; H159-E176 IonicContact ND1-OE1 2.98Å; H159-E176 PolarHBondContact ND1-OE1 3.05Å; H159-E176 IonicContact ND1-OE2 3.3Å; H159-E176 PolarHBondContact ND1-OE2 3.25Å
160K98.8Very high97.6Very high4 Ų437.7 Ų37.72%0.01718%0.181CC..  trans-56.2123.4179.9-171.9175.5-175.5-172.30111.4E58 N143 N162 L163 E166 P172 I192E58-K160 WeakPolarHBondContact OE1-CE 3.35Å; E58-K160 IonicContact OE1-NZ 3.84Å; E58-K160 PolarHBondContact OE1-NZ 3.08Å; N143-K160 HydrophobicContact CB-CB 3.89Å; N143-K160 HydrophobicContact CB-CD 4.15Å; N143-K160 WeakPolarHBondContact ND2-CD 3.37Å; N143-K160 PolarHBondContact O-N 2.77Å; K160-N162 WeakPolarHBondContact CE-O 3.48Å; K160-L163 HydrophobicContact CB-CD2 4.31Å; K160-L163 HydrophobicContact CD-CD2 4.11Å; K160-L163 HydrophobicContact CG-CD2 4.24Å; K160-E166 WeakPolarHBondContact CE-OE2 3.39Å; K160-E166 IonicContact NZ-OE1 3.52Å; K160-E166 PolarHBondContact NZ-OE1 2.91Å; K160-E166 IonicContact NZ-OE2 3.69Å; K160-E166 PolarHBondContact NZ-OE2 3.34Å; K160-P172 VanDerWaalsContact O-CD 3.22Å; K160-P172 WeakPolarHBondContact O-CD 3.1Å; K160-I192 HydrophobicContact CB-CB 4.22Å; K160-I192 HydrophobicContact CB-CD1 3.85Å; K160-I192 HydrophobicContact CB-CG2 4.47Å; K160-I192 HydrophobicContact CD-CB 4.1Å; K160-I192 HydrophobicContact CD-CG2 3.68Å; K160-I192 HydrophobicContact CG-CB 3.96Å; K160-I192 HydrophobicContact CG-CG2 4.13Å
161Q98.1Very high97.4Very high36 Ų3639.8 Ų39.817%0.16819%0.193CC..SBendtrans-80.1-44.8-179.8-175.263.151.200112.1Y158 H159 T171 L175 D195Y158-Q161 PolarHBondContact OH-N 3.47Å; Y158-Q161 VanDerWaalsContact OH-N 3.13Å; H159-Q161 PolarHBondContact O-N 2.8Å; Q161-T171 WeakPolarHBondContact O-CG2 3.11Å; Q161-L175 HydrophobicContact CG-CD1 4.24Å; Q161-D195 PolarHBondContact N-OD1 3.41Å
162N97.9Very high97.3Very high29 Ų2935.4 Ų35.416%0.15517%0.17CC..SBendtrans-10795.5-172.1-56.5-82.9000110.6K160 F194 D195 F198 D200K160-N162 WeakPolarHBondContact CE-O 3.48Å; N162-F194 HydrophobicContact CB-CD1 4.16Å; N162-D195 WeakPolarHBondContact CB-OD1 3.18Å; N162-D195 PolarHBondContact N-OD1 2.99Å; N162-D195 PolarHBondContact ND2-OD1 2.89Å; N162-F198 HydrophobicContact CB-CD2 3.61Å; N162-F198 HydrophobicContact CB-CE2 3.89Å; N162-F198 HydrophobicContact CB-CG 4.24Å; N162-F198 VanDerWaalsContact CG-CD2 3.42Å; N162-F198 VanDerWaalsContact OD1-CG 3.3Å; N162-F198 WeakPolarHBondContact OD1-CG 3.24Å; N162-D200 PolarHBondContact ND2-O 2.9Å
163L97.4Very high96.9Very high34 Ų3439 Ų3918%0.17819%0.193CC..  trans-73.8147.4-178.4-58.3-179000112.6K160 E166 F169K160-L163 HydrophobicContact CB-CD2 4.31Å; K160-L163 HydrophobicContact CD-CD2 4.11Å; K160-L163 HydrophobicContact CG-CD2 4.24Å; L163-E166 WeakPolarHBondContact CA-OE2 3.18Å; L163-E166 HydrophobicContact CB-CB 4.45Å; L163-E166 HydrophobicContact CD2-CB 4.47Å; L163-E166 WeakPolarHBondContact CD2-OE2 3.42Å; L163-F169 HydrophobicContact CD1-CB 4.25Å; L163-F169 VanDerWaalsContact CD1-O 3.29Å; L163-F169 WeakPolarHBondContact CD1-O 3.29Å; L163-F169 HydrophobicContact CD2-CB 4.17Å
164Y94.9Very high96.6Very high93 Ų9345 Ų4537%0.36522%0.217SC..SBendtrans-11877.7177.2-168.9-94.7000110.9E166 F194 M221 I386Y164-E166 VanDerWaalsContact C-N 3.26Å; Y164-E166 PolarHBondContact N-OE2 3.36Å; Y164-E166 PolarHBondContact O-N 2.82Å; Y164-F194 HydrophobicContact CD2-CD1 4.04Å; Y164-F194 AromaticContact CD2-CD2 3.76Å; Y164-F194 HydrophobicContact CD2-CD2 3.76Å; Y164-F194 HydrophobicContact CD2-CE1 4.03Å; Y164-F194 AromaticContact CD2-CE2 3.75Å; Y164-F194 HydrophobicContact CD2-CE2 3.75Å; Y164-F194 AromaticContact CD2-CG 3.93Å; Y164-F194 HydrophobicContact CD2-CG 3.93Å; Y164-F194 AromaticContact CD2-CZ 3.9Å; Y164-F194 HydrophobicContact CD2-CZ 3.9Å; Y164-F194 HydrophobicContact CE2-CD2 4.35Å; Y164-F194 HydrophobicContact CE2-CE2 4.03Å; Y164-F194 HydrophobicContact CE2-CZ 4.31Å; Y164-F194 HydrophobicContact CG-CG 4.48Å; Y164-M221 HydrophobicContact CD1-CE 3.84Å; Y164-M221 HydrophobicContact CE1-CE 3.32Å; Y164-I386 HydrophobicContact CD2-CD1 4.09Å
165Y92.6Very high96.5Very high144 Ų14448 Ų4857%0.56523%0.233SC*.SBendtrans58.131.6-177.4-45.7-76.2000115E167 S385Y165-E167 PolarHBondContact O-N 3.36Å; Y165-E167 VanDerWaalsContact O-N 3.14Å; Y165-S385 WeakPolarHBondContact CE1-OG 3.3Å; Y165-S385 PolarHBondContact OH-OG 2.88Å
166E95.1Very high96.4Very high28 Ų2848 Ų4813%0.13123%0.23CC..  trans-85.580.8-178.3-69.7157.6106.200111.3N143 K160 L163 Y164 S168 F169N143-E166 PolarHBondContact ND2-OE1 2.95Å; K160-E166 WeakPolarHBondContact CE-OE2 3.39Å; K160-E166 IonicContact NZ-OE1 3.52Å; K160-E166 PolarHBondContact NZ-OE1 2.91Å; K160-E166 IonicContact NZ-OE2 3.69Å; K160-E166 PolarHBondContact NZ-OE2 3.34Å; L163-E166 WeakPolarHBondContact CA-OE2 3.18Å; L163-E166 HydrophobicContact CB-CB 4.45Å; L163-E166 HydrophobicContact CD2-CB 4.47Å; L163-E166 WeakPolarHBondContact CD2-OE2 3.42Å; Y164-E166 VanDerWaalsContact C-N 3.26Å; Y164-E166 PolarHBondContact N-OE2 3.36Å; Y164-E166 PolarHBondContact O-N 2.82Å; E166-S168 PolarHBondContact O-N 2.98Å; E166-F169 HydrophobicContact CB-CB 4.36Å; E166-F169 HydrophobicContact CB-CD2 3.88Å; E166-F169 HydrophobicContact CG-CD2 4.28Å; E166-F169 PolarHBondContact O-N 3.05Å
167E95.1Very high96.4Very high115 Ų11550 Ų5054%0.53724%0.24SC..THydrogen-bonded Turntrans-53.6-24.3-179.3-173.5-169.3163.300113.9R20 Y165R20-E167 IonicContact CZ-OE2 2.81Å; R20-E167 IonicContact NH2-OE1 3.01Å; R20-E167 IonicContact NH2-OE2 3.4Å; R20-E167 PolarHBondContact NH2-OE2 3.31Å; Y165-E167 PolarHBondContact O-N 3.36Å; Y165-E167 VanDerWaalsContact O-N 3.14Å
168S97.1Very high96.4Very high8 Ų849.6 Ų49.66%0.05624%0.24CC..THydrogen-bonded Turntrans-82.1-13.5-178.739.40000114.2F66 Q141 E166F66-S168 PolarHBondContact O-OG 3.31Å; Q141-S168 WeakPolarHBondContact CB-O 3.1Å; Q141-S168 PolarHBondContact NE2-O 2.81Å; E166-S168 PolarHBondContact O-N 2.98Å
169F97.9Very high96.4Very high16 Ų1651 Ų517%0.0725%0.249CC..  trans-119.7147.6-172.4-61.4-54.7000112.9I71 M75 P120 Q141 F142 N143 L163 E166I71-F169 HydrophobicContact CD1-CD1 4.49Å; I71-F169 HydrophobicContact CD1-CE1 3.55Å; I71-F169 HydrophobicContact CD1-CE2 4.2Å; I71-F169 HydrophobicContact CD1-CZ 3.37Å; M75-F169 HydrophobicContact CE-CD1 4.4Å; M75-F169 HydrophobicContact CE-CE1 4.02Å; P120-F169 HydrophobicContact CB-CE1 3.67Å; P120-F169 HydrophobicContact CB-CZ 3.86Å; Q141-F169 HydrophobicContact CB-CD1 4.38Å; Q141-F169 CarbonylContact O-C 3.53Å; Q141-F169 VanDerWaalsContact O-CA 3.32Å; Q141-F169 WeakPolarHBondContact O-CA 3.45Å; F142-F169 VanDerWaalsContact C-CE1 3.48Å; F142-F169 WeakPolarHBondContact O-CE1 3.17Å; N143-F169 HydrophobicContact CB-CD1 4.42Å; N143-F169 HydrophobicContact CB-CD2 3.6Å; N143-F169 HydrophobicContact CB-CE1 4.48Å; N143-F169 HydrophobicContact CB-CE2 3.7Å; N143-F169 HydrophobicContact CB-CG 3.99Å; N143-F169 HydrophobicContact CB-CZ 4.14Å; N143-F169 VanDerWaalsContact N-CD1 3.32Å; L163-F169 HydrophobicContact CD1-CB 4.25Å; L163-F169 VanDerWaalsContact CD1-O 3.29Å; L163-F169 WeakPolarHBondContact CD1-O 3.29Å; L163-F169 HydrophobicContact CD2-CB 4.17Å; E166-F169 HydrophobicContact CB-CB 4.36Å; E166-F169 HydrophobicContact CB-CD2 3.88Å; E166-F169 HydrophobicContact CG-CD2 4.28Å; E166-F169 PolarHBondContact O-N 3.05Å
170D97Very high96.3Very high39 Ų3951.3 Ų51.321%0.20925%0.25CC..PPolyproline II helixtrans-94.9151.7173.1-58.7-64.1000109.6R68 W140 Q141 F142R68-D170 IonicContact NH1-OD1 2.66Å; R68-D170 PolarHBondContact NH1-OD1 3.14Å; R68-D170 IonicContact NH1-OD2 3.37Å; R68-D170 PolarHBondContact NH1-OD2 2.84Å; W140-D170 WeakPolarHBondContact CA-OD2 3.11Å; Q141-D170 PolarHBondContact N-OD2 3.19Å; Q141-D170 PolarHBondContact O-N 3.08Å; F142-D170 HydrophobicContact CD1-CB 4.46Å; F142-D170 VanDerWaalsContact CD1-O 3.27Å; F142-D170 WeakPolarHBondContact CD1-O 3.09Å; F142-D170 HydrophobicContact CE1-CB 4.1Å
171T95.8Very high96.2Very high71 Ų7156.3 Ų56.344%0.43628%0.277SS..PPolyproline II helixtrans-81.6135.5169-62.40000109.5Q161Q161-T171 WeakPolarHBondContact O-CG2 3.11Å
172P94.9Very high96.2Very high6 Ų655.1 Ų55.14%0.03927%0.272CS..PPolyproline II helixtrans-54.6136.6177.3-28.437000112.1F142 H159 K160 K174F142-P172 HydrophobicContact CD1-CG 4.2Å; F142-P172 HydrophobicContact CE1-CB 4.39Å; F142-P172 HydrophobicContact CE1-CG 4.09Å; H159-P172 HydrophobicContact CB-CB 4.41Å; H159-P172 HydrophobicContact CB-CG 3.39Å; K160-P172 VanDerWaalsContact O-CD 3.22Å; K160-P172 WeakPolarHBondContact O-CD 3.1Å; P172-K174 WeakPolarHBondContact CB-O 3.38Å; P172-K174 PolarHBondContact O-N 3.44Å
173P91.3Very high96.1Very high76 Ų7659.1 Ų59.149%0.49430%0.299SS..SBendtrans-70.8-14.3-178.128.8-35.5000113.2
174K92.5Very high96Very high169 Ų16958.7 Ų58.774%0.73530%0.296SS*.SBendtrans-134.2145.5176-65.5-176.8-178175.80108.7P172 E176P172-K174 WeakPolarHBondContact CB-O 3.38Å; P172-K174 PolarHBondContact O-N 3.44Å; K174-E176 PolarHBondContact O-N 3.17Å
175L96.1Very high95.9Very high72 Ų7254.6 Ų54.638%0.37728%0.282SS..  trans-63127.2173.617859.5000110.5Q161 L177 D200 P201Q161-L175 HydrophobicContact CG-CD1 4.24Å; L175-L177 HydrophobicContact CD1-CD2 4.28Å; L175-L177 HydrophobicContact CD2-CD2 4.02Å; L175-L177 HydrophobicContact CD2-CG 4.41Å; L175-L177 HydrophobicContact CG-CD2 4.01Å; L175-L177 HydrophobicContact CG-CG 4.34Å; L175-D200 HydrophobicContact CD1-CB 3.75Å; L175-D200 HydrophobicContact CD2-CB 3.97Å; L175-P201 HydrophobicContact CD1-CB 3.97Å
176E97.3Very high95.9Very high38 Ų3849.4 Ų49.418%0.17827%0.272CS..  trans-104.8111.2177.6-62.8-176.7-178.900110.4Y158 H159 K174 I178Y158-E176 HydrophobicContact CD2-CB 4.17Å; Y158-E176 HydrophobicContact CE2-CB 4.35Å; H159-E176 IonicContact CE1-OE1 3.48Å; H159-E176 IonicContact CG-OE1 3.57Å; H159-E176 IonicContact CG-OE2 3.82Å; H159-E176 PolarHBondContact N-OE2 3.26Å; H159-E176 IonicContact ND1-OE1 2.98Å; H159-E176 PolarHBondContact ND1-OE1 3.05Å; H159-E176 IonicContact ND1-OE2 3.3Å; H159-E176 PolarHBondContact ND1-OE2 3.25Å; K174-E176 PolarHBondContact O-N 3.17Å; E176-I178 HydrophobicContact CB-CD1 4.15Å; E176-I178 HydrophobicContact CB-CG1 3.86Å; E176-I178 PolarHBondContact O-N 3.16Å
177L98.3Very high95.9Very high45 Ų4551.2 Ų51.224%0.23628%0.279CS..  trans-98.575.4172.9-59.7-174.1000109.9L175 P201 A204 L205 Q209L175-L177 HydrophobicContact CD1-CD2 4.28Å; L175-L177 HydrophobicContact CD2-CD2 4.02Å; L175-L177 HydrophobicContact CD2-CG 4.41Å; L175-L177 HydrophobicContact CG-CD2 4.01Å; L175-L177 HydrophobicContact CG-CG 4.34Å; L177-P201 HydrophobicContact CD2-CB 3.66Å; L177-A204 HydrophobicContact CD1-CB 4.25Å; L177-A204 HydrophobicContact CD2-CB 3.67Å; L177-L205 HydrophobicContact CB-CD2 4.06Å; L177-L205 HydrophobicContact CD2-CD2 4.5Å; L177-L205 HydrophobicContact CD2-CG 4.27Å; L177-Q209 HydrophobicContact CB-CG 4.18Å; L177-Q209 HydrophobicContact CD1-CG 4.45Å
178I98.4Very high96.1Very high15 Ų1545.7 Ų45.78%0.07725%0.254CS..  trans-87.9131.3-170.4-55.6-60.2000111.8A156 R157 Y158 E176 L190A156-I178 HydrophobicContact CB-CG2 3.76Å; R157-I178 WeakPolarHBondContact O-CG1 3.46Å; R157-I178 WeakPolarHBondContact O-CG2 3.35Å; Y158-I178 HydrophobicContact CD2-CB 4.19Å; Y158-I178 HydrophobicContact CD2-CG1 3.9Å; Y158-I178 HydrophobicContact CG-CB 4.44Å; Y158-I178 HydrophobicContact CG-CG1 4.43Å; E176-I178 HydrophobicContact CB-CD1 4.15Å; E176-I178 HydrophobicContact CB-CG1 3.86Å; E176-I178 PolarHBondContact O-N 3.16Å; I178-L190 HydrophobicContact CG2-CD1 3.97Å; I178-L190 PolarHBondContact O-N 3.24Å
179T98.4Very high96.2Very high31 Ų3145.3 Ų45.319%0.1925%0.251CS..EExtended strand (participates in β ladder)trans-138.4159.6176.468.30000110.8K187 F188 L205 Q209 V211T179-K187 HydrophobicContact CG2-CD 3.9Å; T179-K187 HydrophobicContact CG2-CG 4.18Å; T179-F188 CarbonylContact C-O 3.55Å; T179-F188 WeakPolarHBondContact CA-O 3.49Å; T179-F188 VanDerWaalsContact CB-O 3.23Å; T179-F188 WeakPolarHBondContact CB-O 3.27Å; T179-L205 HydrophobicContact CG2-CD2 3.71Å; T179-Q209 HydrophobicContact CG2-CB 4.12Å; T179-Q209 HydrophobicContact CG2-CG 4.34Å; T179-V211 HydrophobicContact CG2-CG2 3.62Å
180F98.1Very high96.2Very high8 Ų844.6 Ų44.64%0.03525%0.248CC..EExtended strand (participates in β ladder)trans-140.5147.8168.762.9-85.2000110.8I53 Y114 V116 A147 V155 A156 T182 F188 L190 V215I53-F180 HydrophobicContact CD1-CE2 4.42Å; I53-F180 HydrophobicContact CD1-CZ 4.09Å; Y114-F180 HydrophobicContact CD1-CD2 4.1Å; Y114-F180 AromaticContact CD1-CE2 3.82Å; Y114-F180 HydrophobicContact CD1-CE2 3.82Å; Y114-F180 HydrophobicContact CE1-CD2 4.07Å; Y114-F180 HydrophobicContact CE1-CE2 4.21Å; V116-F180 HydrophobicContact CG2-CZ 4.21Å; A147-F180 HydrophobicContact CB-CD1 4.04Å; A147-F180 HydrophobicContact CB-CE1 3.97Å; A147-F180 HydrophobicContact CB-CG 4.47Å; A147-F180 HydrophobicContact CB-CZ 4.32Å; V155-F180 HydrophobicContact CB-CB 4.43Å; V155-F180 HydrophobicContact CG2-CB 4.14Å; V155-F180 HydrophobicContact CG2-CD2 4.3Å; V155-F180 HydrophobicContact CG2-CG 4.28Å; A156-F180 HydrophobicContact CB-CB 4.14Å; A156-F180 HydrophobicContact CB-CD1 4Å; A156-F180 HydrophobicContact CB-CG 4.43Å; F180-T182 HydrophobicContact CD2-CG2 3.91Å; F180-T182 HydrophobicContact CE2-CG2 3.69Å; F180-F188 HydrophobicContact CD1-CB 4.29Å; F180-F188 HydrophobicContact CE1-CB 3.72Å; F180-F188 HydrophobicContact CE2-CB 4.04Å; F180-F188 HydrophobicContact CE2-CD2 4.15Å; F180-F188 HydrophobicContact CE2-CG 4.32Å; F180-F188 HydrophobicContact CZ-CB 3.59Å; F180-F188 HydrophobicContact CZ-CD2 4.32Å; F180-F188 HydrophobicContact CZ-CG 4.04Å; F180-F188 PolarHBondContact N-O 3.48Å; F180-F188 PolarHBondContact O-N 2.87Å; F180-L190 HydrophobicContact CD1-CD2 4.32Å; F180-L190 HydrophobicContact CD1-CG 4.3Å; F180-L190 HydrophobicContact CE1-CD2 3.67Å; F180-L190 HydrophobicContact CE1-CG 4.13Å; F180-V215 HydrophobicContact CE1-CG2 4.45Å; F180-V215 HydrophobicContact CZ-CG2 4.19Å
181D96.6Very high96.3Very high110 Ų11042.7 Ų42.759%0.58824%0.238SC*.EExtended strand (participates in β ladder)trans-92.1145.9-179.5-69-53.6000112.2Y114Y114-D181 PolarHBondContact OH-O 3.5Å
182T96.9Very high96.4Very high11 Ų1139.3 Ų39.37%0.06722%0.217CC..EExtended strand (participates in β ladder)trans-129.8145.1177.669.50000110.7Y114 F180 F184 A185 G186 F188Y114-T182 HydrophobicContact CD1-CG2 4.06Å; Y114-T182 HydrophobicContact CE1-CG2 3.78Å; F180-T182 HydrophobicContact CD2-CG2 3.91Å; F180-T182 HydrophobicContact CE2-CG2 3.69Å; T182-F184 HydrophobicContact CG2-CE1 4.09Å; T182-F184 HydrophobicContact CG2-CE2 4.16Å; T182-F184 HydrophobicContact CG2-CZ 3.69Å; T182-F184 PolarHBondContact O-N 3.45Å; T182-A185 PolarHBondContact OG1-N 2.98Å; T182-A185 VanDerWaalsContact OG1-N 3.13Å; T182-G186 PolarHBondContact N-O 3.29Å; T182-G186 WeakPolarHBondContact O-CA 3.28Å; T182-G186 PolarHBondContact O-N 3.39Å; T182-G186 VanDerWaalsContact O-N 3.09Å; T182-G186 PolarHBondContact OG1-N 2.78Å; T182-G186 PolarHBondContact OG1-O 3.38Å; T182-F188 HydrophobicContact CG2-CD2 3.64Å; T182-F188 HydrophobicContact CG2-CE2 3.78Å
183P96.1Very high96.6Very high112 Ų11239.5 Ų39.573%0.72722%0.218SC*.THydrogen-bonded Turntrans-72.8-1417829.6-35.3000113.2Y114Y114-P183 WeakPolarHBondContact OH-CD 3.16Å
184F95.1Very high97Very high25 Ų2536.5 Ų36.511%0.1120%0.198CC..THydrogen-bonded Turntrans-104.2-24.3-173.652.4-96.9000114.1Y4 K52 I53 Y114 T182 F188 V289Y4-F184 HydrophobicContact CD1-CD2 4.43Å; Y4-F184 AromaticContact CD2-CD2 3.77Å; Y4-F184 HydrophobicContact CD2-CD2 3.77Å; Y4-F184 AromaticContact CD2-CE2 3.81Å; Y4-F184 HydrophobicContact CD2-CE2 3.81Å; Y4-F184 HydrophobicContact CE2-CD2 4.49Å; Y4-F184 HydrophobicContact CE2-CE2 4.23Å; Y4-F184 AromaticContact CG-CD2 3.73Å; Y4-F184 HydrophobicContact CG-CD2 3.73Å; Y4-F184 HydrophobicContact CG-CE2 4.25Å; K52-F184 HydrophobicContact CB-CD1 3.9Å; K52-F184 HydrophobicContact CB-CD2 4.08Å; K52-F184 HydrophobicContact CB-CE1 3.84Å; K52-F184 HydrophobicContact CB-CE2 4.04Å; K52-F184 HydrophobicContact CB-CG 4.03Å; K52-F184 HydrophobicContact CB-CZ 3.92Å; K52-F184 HydrophobicContact CG-CD1 4.4Å; K52-F184 HydrophobicContact CG-CG 4.37Å; I53-F184 HydrophobicContact CB-CE2 4.49Å; I53-F184 HydrophobicContact CB-CZ 4.18Å; I53-F184 HydrophobicContact CG2-CE2 4.41Å; Y114-F184 AromaticContact CD2-CE1 3.6Å; Y114-F184 HydrophobicContact CD2-CE1 3.6Å; Y114-F184 HydrophobicContact CD2-CZ 4.09Å; Y114-F184 AromaticContact CE2-CE1 3.76Å; Y114-F184 HydrophobicContact CE2-CE1 3.76Å; Y114-F184 HydrophobicContact CG-CE1 4.25Å; Y114-F184 HydrophobicContact CG-CZ 4.3Å; T182-F184 HydrophobicContact CG2-CE1 4.09Å; T182-F184 HydrophobicContact CG2-CE2 4.16Å; T182-F184 HydrophobicContact CG2-CZ 3.69Å; T182-F184 PolarHBondContact O-N 3.45Å; F184-F188 AromaticContact CE2-CE2 3.96Å; F184-F188 HydrophobicContact CE2-CE2 3.96Å; F184-F188 HydrophobicContact CE2-CZ 4.3Å; F184-V289 VanDerWaalsContact O-CG2 3.32Å; F184-V289 WeakPolarHBondContact O-CG2 3.31Å
185A93.8Very high97.3Very high7 Ų728.5 Ų28.56%0.05816%0.163CC..THydrogen-bonded Turntrans-141.88.7-177.300000114Y4 T182 F188 Q213 V289Y4-A185 HydrophobicContact CD1-CB 3.64Å; Y4-A185 HydrophobicContact CE1-CB 3.61Å; Y4-A185 HydrophobicContact CG-CB 4.2Å; T182-A185 PolarHBondContact OG1-N 2.98Å; T182-A185 VanDerWaalsContact OG1-N 3.13Å; A185-F188 HydrophobicContact CB-CE2 3.81Å; A185-F188 HydrophobicContact CB-CZ 4.03Å; A185-Q213 PolarHBondContact O-NE2 3.12Å; A185-V289 HydrophobicContact CB-CG1 4.32Å; A185-V289 HydrophobicContact CB-CG2 3.89Å
186G93.1Very high97.4Very high35 Ų3525 Ų2536%0.36115%0.145SC..EExtended strand (participates in β ladder)trans71.6-137.1-176.300000110.9T182T182-G186 PolarHBondContact N-O 3.29Å; T182-G186 WeakPolarHBondContact O-CA 3.28Å; T182-G186 PolarHBondContact O-N 3.39Å; T182-G186 VanDerWaalsContact O-N 3.09Å; T182-G186 PolarHBondContact OG1-N 2.78Å; T182-G186 PolarHBondContact OG1-O 3.38Å
187K94.9Very high97.4Very high66 Ų6623.3 Ų23.329%0.28714%0.137SC..EExtended strand (participates in β ladder)trans-86.8133.9-168.7-169.9179.9-70.7-171.20112.8T179 V211 Q213T179-K187 HydrophobicContact CG2-CD 3.9Å; T179-K187 HydrophobicContact CG2-CG 4.18Å; K187-V211 HydrophobicContact CD-CG2 4.11Å; K187-V211 HydrophobicContact CG-CG2 4.36Å; K187-Q213 PolarHBondContact O-NE2 2.98Å
188F98.3Very high97.4Very high0 Ų022.3 Ų22.30%013%0.131CC..EExtended strand (participates in β ladder)trans-109.6140.7166.2-75.8-95.8000110.6Y4 I53 T179 F180 T182 F184 A185 Q213 V215 L245Y4-F188 AromaticContact CE2-CZ 3.9Å; Y4-F188 HydrophobicContact CE2-CZ 3.9Å; Y4-F188 AromaticContact CZ-CZ 3.74Å; Y4-F188 WeakPolarHBondContact OH-CZ 3.47Å; I53-F188 HydrophobicContact CD1-CE1 4.49Å; T179-F188 CarbonylContact C-O 3.55Å; T179-F188 WeakPolarHBondContact CA-O 3.49Å; T179-F188 VanDerWaalsContact CB-O 3.23Å; T179-F188 WeakPolarHBondContact CB-O 3.27Å; F180-F188 HydrophobicContact CD1-CB 4.29Å; F180-F188 HydrophobicContact CE1-CB 3.72Å; F180-F188 HydrophobicContact CE2-CB 4.04Å; F180-F188 HydrophobicContact CE2-CD2 4.15Å; F180-F188 HydrophobicContact CE2-CG 4.32Å; F180-F188 HydrophobicContact CZ-CB 3.59Å; F180-F188 HydrophobicContact CZ-CD2 4.32Å; F180-F188 HydrophobicContact CZ-CG 4.04Å; F180-F188 PolarHBondContact N-O 3.48Å; F180-F188 PolarHBondContact O-N 2.87Å; T182-F188 HydrophobicContact CG2-CD2 3.64Å; T182-F188 HydrophobicContact CG2-CE2 3.78Å; F184-F188 AromaticContact CE2-CE2 3.96Å; F184-F188 HydrophobicContact CE2-CE2 3.96Å; F184-F188 HydrophobicContact CE2-CZ 4.3Å; A185-F188 HydrophobicContact CB-CE2 3.81Å; A185-F188 HydrophobicContact CB-CZ 4.03Å; F188-Q213 CarbonylContact C-O 3.56Å; F188-Q213 VanDerWaalsContact CA-O 3.3Å; F188-Q213 WeakPolarHBondContact CA-O 3.28Å; F188-Q213 HydrophobicContact CD1-CB 3.53Å; F188-Q213 HydrophobicContact CE1-CB 3.54Å; F188-Q213 HydrophobicContact CE1-CG 4.38Å; F188-Q213 HydrophobicContact CG-CB 4.17Å; F188-Q213 HydrophobicContact CZ-CB 4.18Å; F188-V215 HydrophobicContact CB-CG2 4.36Å; F188-V215 HydrophobicContact CD1-CG2 3.75Å; F188-V215 HydrophobicContact CE1-CG2 4.45Å; F188-V215 HydrophobicContact CG-CG2 4.31Å; F188-L245 HydrophobicContact CE1-CD1 3.89Å
189G98.5Very high97.4Very high0 Ų024.1 Ų24.10%014%0.138CC..EExtended strand (participates in β ladder)trans-96.3150.6165.200000111.3Q213 L214 V215G189-Q213 PolarHBondContact N-O 2.95Å; G189-L214 WeakPolarHBondContact O-CA 3.44Å; G189-V215 PolarHBondContact O-N 2.95Å
190L98.7Very high97.4Very high0 Ų025.8 Ų25.80%015%0.146CC..EExtended strand (participates in β ladder)trans-104.8131.3175-66.2-177.8000110.3V116 N145 A156 Y158 I178 F180 V215V116-L190 HydrophobicContact CG1-CD2 4.12Å; N145-L190 HydrophobicContact CB-CD1 4.27Å; A156-L190 HydrophobicContact CB-CD1 3.69Å; Y158-L190 HydrophobicContact CD1-CB 4.11Å; Y158-L190 HydrophobicContact CG-CB 4.01Å; I178-L190 HydrophobicContact CG2-CD1 3.97Å; I178-L190 PolarHBondContact O-N 3.24Å; F180-L190 HydrophobicContact CD1-CD2 4.32Å; F180-L190 HydrophobicContact CD1-CG 4.3Å; F180-L190 HydrophobicContact CE1-CD2 3.67Å; F180-L190 HydrophobicContact CE1-CG 4.13Å; L190-V215 HydrophobicContact CD2-CB 3.82Å; L190-V215 HydrophobicContact CD2-CG1 4.18Å; L190-V215 HydrophobicContact CD2-CG2 4.44Å
191I98.9Very high97.4Very high0 Ų025.4 Ų25.40%014%0.144CC..EExtended strand (participates in β ladder)trans-141.9155.617051.1155.5000109.7N145 D195 I196 P201 T202 L205 L214 V215 F216N145-I191 PolarHBondContact ND2-O 3.24Å; I191-D195 HydrophobicContact CB-CB 4.17Å; I191-I196 HydrophobicContact CD1-CB 4.36Å; I191-I196 HydrophobicContact CD1-CG1 4.4Å; I191-P201 HydrophobicContact CG2-CG 4.05Å; I191-T202 HydrophobicContact CD1-CG2 4.24Å; I191-L205 HydrophobicContact CG2-CD1 3.67Å; I191-L214 HydrophobicContact CD1-CD1 3.99Å; I191-L214 HydrophobicContact CG1-CB 4.39Å; I191-L214 HydrophobicContact CG1-CD2 4.41Å; I191-V215 PolarHBondContact N-O 3.29Å; I191-F216 HydrophobicContact CB-CD2 4.47Å; I191-F216 HydrophobicContact CD1-CB 4.45Å; I191-F216 HydrophobicContact CD1-CD2 3.5Å; I191-F216 VanDerWaalsContact CD1-CD2 3.5Å; I191-F216 HydrophobicContact CD1-CE2 3.98Å; I191-F216 HydrophobicContact CD1-CG 4.24Å; I191-F216 HydrophobicContact CG1-CB 4.36Å; I191-F216 HydrophobicContact CG1-CD2 3.69Å; I191-F216 HydrophobicContact CG1-CE2 4.46Å; I191-F216 HydrophobicContact CG1-CG 4.46Å
192I98.9Very high97.5Very high0 Ų020.1 Ų20.10%012%0.116CC..EExtended strand (participates in β ladder)trans-126.8120.6-178-60.8162.1000110.1E58 N145 Y158 K160 F194 D195 S217E58-I192 HydrophobicContact CB-CG2 4.24Å; E58-I192 HydrophobicContact CG-CG2 3.9Å; E58-I192 WeakPolarHBondContact OE1-CG2 3.41Å; N145-I192 HydrophobicContact CB-CD1 4.05Å; N145-I192 HydrophobicContact CB-CG1 4.26Å; N145-I192 VanDerWaalsContact CG-CG1 3.43Å; N145-I192 WeakPolarHBondContact ND2-CG1 3.39Å; Y158-I192 HydrophobicContact CD1-CD1 3.59Å; Y158-I192 HydrophobicContact CD1-CG1 3.84Å; Y158-I192 HydrophobicContact CE1-CB 4.22Å; Y158-I192 HydrophobicContact CE1-CD1 3.66Å; Y158-I192 HydrophobicContact CE1-CG1 3.73Å; K160-I192 HydrophobicContact CB-CB 4.22Å; K160-I192 HydrophobicContact CB-CD1 3.85Å; K160-I192 HydrophobicContact CB-CG2 4.47Å; K160-I192 HydrophobicContact CD-CB 4.1Å; K160-I192 HydrophobicContact CD-CG2 3.68Å; K160-I192 HydrophobicContact CG-CB 3.96Å; K160-I192 HydrophobicContact CG-CG2 4.13Å; I192-F194 PolarHBondContact O-N 3.13Å; I192-D195 PolarHBondContact N-OD2 2.86Å; I192-D195 VanDerWaalsContact O-CB 3.31Å; I192-D195 WeakPolarHBondContact O-CB 3.32Å; I192-D195 VanDerWaalsContact O-CG 3.22Å; I192-D195 PolarHBondContact O-N 2.56Å; I192-D195 VanDerWaalsContact O-OD2 3.13Å; I192-S217 WeakPolarHBondContact CA-O 3.3Å
193C98.8Very high97.5Very high10 Ų1019.8 Ų19.87%0.06811%0.114CC..G310 helixtrans43.4-105.6167.7-1670000115E58 D195 I196 F216 S217 T218E58-C193 WeakPolarHBondContact OE2-CB 3.45Å; E58-C193 PolarHBondContact OE2-SG 3.44Å; C193-D195 PolarHBondContact O-N 2.91Å; C193-D195 VanDerWaalsContact O-N 3.1Å; C193-I196 VanDerWaalsContact O-CG2 3.29Å; C193-I196 WeakPolarHBondContact O-CG2 3.43Å; C193-I196 PolarHBondContact O-N 3.09Å; C193-F216 VanDerWaalsContact CA-CZ 3.49Å; C193-F216 WeakPolarHBondContact O-CE2 3.33Å; C193-F216 WeakPolarHBondContact O-CZ 3.2Å; C193-S217 PolarHBondContact N-O 2.96Å; C193-T218 WeakPolarHBondContact CA-OG1 3.36Å; C193-T218 WeakPolarHBondContact CB-OG1 3.31Å; C193-T218 PolarHBondContact SG-OG1 3.14Å
194F98.4Very high97.6Very high13 Ų1314.5 Ų14.56%0.0578%0.08CC..G310 helixtrans-63.3-20.4-172.7-162.4-130.6000113.4N162 Y164 I192 I196 L197 F198 I386 Y388N162-F194 HydrophobicContact CB-CD1 4.16Å; Y164-F194 HydrophobicContact CD2-CD1 4.04Å; Y164-F194 AromaticContact CD2-CD2 3.76Å; Y164-F194 HydrophobicContact CD2-CD2 3.76Å; Y164-F194 HydrophobicContact CD2-CE1 4.03Å; Y164-F194 AromaticContact CD2-CE2 3.75Å; Y164-F194 HydrophobicContact CD2-CE2 3.75Å; Y164-F194 AromaticContact CD2-CG 3.93Å; Y164-F194 HydrophobicContact CD2-CG 3.93Å; Y164-F194 AromaticContact CD2-CZ 3.9Å; Y164-F194 HydrophobicContact CD2-CZ 3.9Å; Y164-F194 HydrophobicContact CE2-CD2 4.35Å; Y164-F194 HydrophobicContact CE2-CE2 4.03Å; Y164-F194 HydrophobicContact CE2-CZ 4.31Å; Y164-F194 HydrophobicContact CG-CG 4.48Å; I192-F194 PolarHBondContact O-N 3.13Å; F194-I196 PolarHBondContact O-N 3.4Å; F194-I196 VanDerWaalsContact O-N 3.08Å; F194-L197 HydrophobicContact CD2-CD1 3.85Å; F194-L197 HydrophobicContact CE2-CD1 3.6Å; F194-L197 PolarHBondContact O-N 3.37Å; F194-L197 VanDerWaalsContact O-N 3.11Å; F194-F198 HydrophobicContact CD1-CD2 4.45Å; F194-F198 AromaticContact CD1-CE2 3.45Å; F194-F198 HydrophobicContact CD1-CE2 3.45Å; F194-F198 VanDerWaalsContact CD1-CE2 3.45Å; F194-F198 HydrophobicContact CD1-CZ 4.03Å; F194-F198 HydrophobicContact CD2-CE2 4.22Å; F194-F198 AromaticContact CE1-CE2 3.29Å; F194-F198 HydrophobicContact CE1-CE2 3.29Å; F194-F198 AromaticContact CE1-CZ 3.39Å; F194-F198 HydrophobicContact CE1-CZ 3.39Å; F194-F198 HydrophobicContact CE2-CE2 4.1Å; F194-F198 HydrophobicContact CE2-CZ 4.44Å; F194-F198 AromaticContact CG-CE2 3.91Å; F194-F198 HydrophobicContact CG-CE2 3.91Å; F194-F198 AromaticContact CZ-CE2 3.64Å; F194-F198 HydrophobicContact CZ-CE2 3.64Å; F194-F198 AromaticContact CZ-CZ 3.62Å; F194-F198 HydrophobicContact CZ-CZ 3.62Å; F194-F198 WeakPolarHBondContact O-CD2 3.26Å; F194-F198 WeakPolarHBondContact O-CE2 3.37Å; F194-I386 HydrophobicContact CD1-CD1 4.39Å; F194-I386 HydrophobicContact CE1-CB 4.39Å; F194-I386 HydrophobicContact CE1-CD1 3.46Å; F194-I386 VanDerWaalsContact CE1-CD1 3.46Å; F194-I386 HydrophobicContact CE1-CG1 4.5Å; F194-I386 HydrophobicContact CE1-CG2 3.9Å; F194-I386 HydrophobicContact CZ-CB 4.23Å; F194-I386 HydrophobicContact CZ-CD1 3.81Å; F194-I386 HydrophobicContact CZ-CG2 3.99Å; F194-Y388 HydrophobicContact CZ-CE1 4.39Å
195D98.8Very high97.8Very high0 Ų013.3 Ų13.30%08%0.075CC..G310 helixtrans-50.9-32.8173.3-70.3-30000113.5Y158 Q161 N162 I191 I192 C193 L197 F198 T202Y158-D195 WeakPolarHBondContact CE1-OD2 3.5Å; Y158-D195 PolarHBondContact OH-OD1 3.36Å; Y158-D195 PolarHBondContact OH-OD2 2.88Å; Q161-D195 PolarHBondContact N-OD1 3.41Å; N162-D195 WeakPolarHBondContact CB-OD1 3.18Å; N162-D195 PolarHBondContact N-OD1 2.99Å; N162-D195 PolarHBondContact ND2-OD1 2.89Å; I191-D195 HydrophobicContact CB-CB 4.17Å; I192-D195 PolarHBondContact N-OD2 2.86Å; I192-D195 VanDerWaalsContact O-CB 3.31Å; I192-D195 WeakPolarHBondContact O-CB 3.32Å; I192-D195 VanDerWaalsContact O-CG 3.22Å; I192-D195 PolarHBondContact O-N 2.56Å; I192-D195 VanDerWaalsContact O-OD2 3.13Å; C193-D195 PolarHBondContact O-N 2.91Å; C193-D195 VanDerWaalsContact O-N 3.1Å; D195-L197 PolarHBondContact O-N 3.02Å; D195-L197 VanDerWaalsContact O-N 3.08Å; D195-F198 PolarHBondContact O-N 3.1Å; D195-T202 PolarHBondContact O-OG1 3.35Å
196I98.8Very high97.9Very high0 Ų014.6 Ų14.60%08%0.08CC..G310 helixtrans-61.6-21-176.9-160.2170.8000113.1I191 C193 F194 F216 W220 F232 F236I191-I196 HydrophobicContact CD1-CB 4.36Å; I191-I196 HydrophobicContact CD1-CG1 4.4Å; C193-I196 VanDerWaalsContact O-CG2 3.29Å; C193-I196 WeakPolarHBondContact O-CG2 3.43Å; C193-I196 PolarHBondContact O-N 3.09Å; F194-I196 PolarHBondContact O-N 3.4Å; F194-I196 VanDerWaalsContact O-N 3.08Å; I196-F216 HydrophobicContact CB-CE2 3.91Å; I196-F216 HydrophobicContact CB-CZ 3.97Å; I196-F216 HydrophobicContact CD1-CE1 4.29Å; I196-F216 HydrophobicContact CD1-CE2 4.45Å; I196-F216 HydrophobicContact CD1-CZ 4.15Å; I196-F216 HydrophobicContact CG2-CE2 4.27Å; I196-F216 HydrophobicContact CG2-CZ 3.88Å; I196-W220 HydrophobicContact CG2-CH2 4.09Å; I196-W220 HydrophobicContact CG2-CZ3 3.79Å; I196-F232 HydrophobicContact CG1-CE1 4.32Å; I196-F232 HydrophobicContact CG2-CD1 4.24Å; I196-F232 HydrophobicContact CG2-CE1 4.01Å; I196-F236 HydrophobicContact CD1-CB 3.95Å; I196-F236 HydrophobicContact CD1-CD1 4.1Å; I196-F236 HydrophobicContact CD1-CD2 4.37Å; I196-F236 HydrophobicContact CD1-CG 3.86Å; I196-F236 HydrophobicContact CG1-CB 4.33Å; I196-F236 HydrophobicContact CG1-CD1 4.15Å; I196-F236 HydrophobicContact CG1-CD2 3.82Å; I196-F236 HydrophobicContact CG1-CE2 4.2Å; I196-F236 HydrophobicContact CG1-CG 3.81Å
197L98.2Very high98Very high2 Ų217.6 Ų17.61%0.019%0.088CC..G310 helixtrans-87.9-4.5178.4-68.7178.2000114F194 D195 W220 L227 F232 R474 Y476F194-L197 HydrophobicContact CD2-CD1 3.85Å; F194-L197 HydrophobicContact CE2-CD1 3.6Å; F194-L197 PolarHBondContact O-N 3.37Å; F194-L197 VanDerWaalsContact O-N 3.11Å; D195-L197 PolarHBondContact O-N 3.02Å; D195-L197 VanDerWaalsContact O-N 3.08Å; L197-W220 HydrophobicContact CD1-CH2 3.92Å; L197-W220 HydrophobicContact CG-CH2 4.1Å; L197-L227 HydrophobicContact CD2-CD2 4.25Å; L197-F232 HydrophobicContact CD2-CD1 4.18Å; L197-F232 HydrophobicContact CD2-CE1 3.41Å; L197-F232 VanDerWaalsContact CD2-CE1 3.41Å; L197-F232 HydrophobicContact CD2-CE2 4.03Å; L197-F232 HydrophobicContact CD2-CZ 3.32Å; L197-F232 HydrophobicContact CG-CE1 4.35Å; L197-R474 VanDerWaalsContact O-CZ 3.3Å; L197-R474 PolarHBondContact O-NE 3.49Å; L197-R474 PolarHBondContact O-NH2 3.49Å; L197-Y476 WeakPolarHBondContact O-CE1 3.48Å
198F98.4Very high98.1Very high24 Ų2421.2 Ų21.211%0.10510%0.104CC..SBendtrans-118.9160.7-173.5-62.1-86.9000112.3N162 F194 D195 I386 Y388 Y476N162-F198 HydrophobicContact CB-CD2 3.61Å; N162-F198 HydrophobicContact CB-CE2 3.89Å; N162-F198 HydrophobicContact CB-CG 4.24Å; N162-F198 VanDerWaalsContact CG-CD2 3.42Å; N162-F198 VanDerWaalsContact OD1-CG 3.3Å; N162-F198 WeakPolarHBondContact OD1-CG 3.24Å; F194-F198 HydrophobicContact CD1-CD2 4.45Å; F194-F198 AromaticContact CD1-CE2 3.45Å; F194-F198 HydrophobicContact CD1-CE2 3.45Å; F194-F198 VanDerWaalsContact CD1-CE2 3.45Å; F194-F198 HydrophobicContact CD1-CZ 4.03Å; F194-F198 HydrophobicContact CD2-CE2 4.22Å; F194-F198 AromaticContact CE1-CE2 3.29Å; F194-F198 HydrophobicContact CE1-CE2 3.29Å; F194-F198 AromaticContact CE1-CZ 3.39Å; F194-F198 HydrophobicContact CE1-CZ 3.39Å; F194-F198 HydrophobicContact CE2-CE2 4.1Å; F194-F198 HydrophobicContact CE2-CZ 4.44Å; F194-F198 AromaticContact CG-CE2 3.91Å; F194-F198 HydrophobicContact CG-CE2 3.91Å; F194-F198 AromaticContact CZ-CE2 3.64Å; F194-F198 HydrophobicContact CZ-CE2 3.64Å; F194-F198 AromaticContact CZ-CZ 3.62Å; F194-F198 HydrophobicContact CZ-CZ 3.62Å; F194-F198 WeakPolarHBondContact O-CD2 3.26Å; F194-F198 WeakPolarHBondContact O-CE2 3.37Å; D195-F198 PolarHBondContact O-N 3.1Å; F198-I386 HydrophobicContact CZ-CG2 4.14Å; F198-Y388 HydrophobicContact CZ-CD1 4.35Å; F198-Y476 VanDerWaalsContact C-CE1 3.42Å
199H98.1Very high97.9Very high52 Ų5224.6 Ų24.624%0.24112%0.12CC..Iπ-helixtrans-67.7-47.1176.1-178-80.9000110.9P201 T202 V203 A204 Y476H199-P201 CarbonylContact O-C 3.6Å; H199-T202 CarbonylContact O-C 3.57Å; H199-T202 PolarHBondContact O-N 3.45Å; H199-T202 VanDerWaalsContact O-N 3.17Å; H199-V203 WeakPolarHBondContact O-CA 3.41Å; H199-V203 WeakPolarHBondContact O-CB 3.45Å; H199-V203 PolarHBondContact O-N 3.39Å; H199-A204 PolarHBondContact O-N 3.28Å; H199-A204 VanDerWaalsContact O-N 3.1Å; H199-Y476 HydrophobicContact CB-CD1 3.88Å; H199-Y476 HydrophobicContact CB-CD2 4.47Å; H199-Y476 HydrophobicContact CB-CG 3.85Å
200D98Very high97.7Very high66 Ų6627.2 Ų27.235%0.35315%0.147SC..Iπ-helixtrans-103.3128.4-176.8-70.5-20000110.4N162 L175 A204N162-D200 PolarHBondContact ND2-O 2.9Å; L175-D200 HydrophobicContact CD1-CB 3.75Å; L175-D200 HydrophobicContact CD2-CB 3.97Å; D200-A204 WeakPolarHBondContact OD1-CB 3.01Å
201P98.3Very high97.6Very high0 Ų027.3 Ų27.30%015%0.147CC..Iπ-helixcis-86.4-8.4-3.437.6-40.2000113.6Y158 L175 L177 I191 H199 A204 L205Y158-P201 HydrophobicContact CE2-CG 3.93Å; Y158-P201 WeakPolarHBondContact OH-CD 3.4Å; Y158-P201 VanDerWaalsContact OH-CG 3.24Å; Y158-P201 WeakPolarHBondContact OH-CG 3.45Å; L175-P201 HydrophobicContact CD1-CB 3.97Å; L177-P201 HydrophobicContact CD2-CB 3.66Å; I191-P201 HydrophobicContact CG2-CG 4.05Å; H199-P201 CarbonylContact O-C 3.6Å; P201-A204 PolarHBondContact O-N 2.92Å; P201-L205 HydrophobicContact CB-CD1 4.21Å; P201-L205 HydrophobicContact CB-CG 4.36Å; P201-L205 HydrophobicContact CG-CD1 4.46Å; P201-L205 WeakPolarHBondContact O-CB 3.24Å; P201-L205 VanDerWaalsContact O-CG 3.31Å; P201-L205 WeakPolarHBondContact O-CG 3.31Å; P201-L205 PolarHBondContact O-N 3.22Å
202T98.3Very high97.4Very high0 Ų029.1 Ų29.10%015%0.154CC..Iπ-helixtrans-56.5-61.9-163.4-59.70000112.8I191 D195 H199 A204 L205 L206 F236I191-T202 HydrophobicContact CD1-CG2 4.24Å; D195-T202 PolarHBondContact O-OG1 3.35Å; H199-T202 CarbonylContact O-C 3.57Å; H199-T202 PolarHBondContact O-N 3.45Å; H199-T202 VanDerWaalsContact O-N 3.17Å; T202-A204 VanDerWaalsContact C-N 3.33Å; T202-A204 PolarHBondContact O-N 3.08Å; T202-L205 PolarHBondContact O-N 3.42Å; T202-L206 WeakPolarHBondContact O-CD1 3.21Å; T202-F236 HydrophobicContact CG2-CE1 4.1Å; T202-F236 HydrophobicContact CG2-CE2 3.91Å; T202-F236 HydrophobicContact CG2-CZ 3.37Å
203V98Very high97.3Very high4 Ų429.3 Ų29.32%0.02416%0.155CC..Iπ-helixtrans-66.5-36.7179179.80000111.1H199 L205 L206 L207 Y429 Y476H199-V203 WeakPolarHBondContact O-CA 3.41Å; H199-V203 WeakPolarHBondContact O-CB 3.45Å; H199-V203 PolarHBondContact O-N 3.39Å; V203-L205 VanDerWaalsContact C-N 3.32Å; V203-L205 PolarHBondContact O-N 3.46Å; V203-L206 WeakPolarHBondContact O-CB 3.18Å; V203-L206 PolarHBondContact O-N 3.34Å; V203-L206 VanDerWaalsContact O-N 3.08Å; V203-L207 HydrophobicContact CG1-CD1 3.78Å; V203-L207 HydrophobicContact CG1-CG 4.06Å; V203-L207 WeakPolarHBondContact O-CG 3.28Å; V203-L207 PolarHBondContact O-N 3.2Å; V203-Y429 HydrophobicContact CG1-CD1 4.35Å; V203-Y429 HydrophobicContact CG1-CE1 3.5Å; V203-Y429 HydrophobicContact CG2-CE1 4.42Å; V203-Y476 HydrophobicContact CG2-CD2 4.36Å; V203-Y476 HydrophobicContact CG2-CE2 3.66Å
204A97.9Very high97.3Very high1 Ų128.9 Ų28.91%0.00815%0.152CC..Hα-helixtrans-59.8-37.9176.400000113.1L177 H199 D200 P201 T202 L206 L207 F208L177-A204 HydrophobicContact CD1-CB 4.25Å; L177-A204 HydrophobicContact CD2-CB 3.67Å; H199-A204 PolarHBondContact O-N 3.28Å; H199-A204 VanDerWaalsContact O-N 3.1Å; D200-A204 WeakPolarHBondContact OD1-CB 3.01Å; P201-A204 PolarHBondContact O-N 2.92Å; T202-A204 VanDerWaalsContact C-N 3.33Å; T202-A204 PolarHBondContact O-N 3.08Å; A204-L206 VanDerWaalsContact C-N 3.32Å; A204-L206 PolarHBondContact O-N 3.03Å; A204-L207 PolarHBondContact O-N 2.86Å; A204-F208 HydrophobicContact CB-CD2 3.84Å; A204-F208 HydrophobicContact CB-CE2 4.12Å; A204-F208 WeakPolarHBondContact O-CB 3.48Å; A204-F208 WeakPolarHBondContact O-CD2 3.48Å; A204-F208 PolarHBondContact O-N 3.07Å
205L98.1Very high97.3Very high0 Ų028.2 Ų28.20%015%0.149CC..Hα-helixtrans-61.5-40.1173.5-76.9165.6000111.7L177 T179 I191 P201 T202 V203 Q209 G210 V211 L214L177-L205 HydrophobicContact CB-CD2 4.06Å; L177-L205 HydrophobicContact CD2-CD2 4.5Å; L177-L205 HydrophobicContact CD2-CG 4.27Å; T179-L205 HydrophobicContact CG2-CD2 3.71Å; I191-L205 HydrophobicContact CG2-CD1 3.67Å; P201-L205 HydrophobicContact CB-CD1 4.21Å; P201-L205 HydrophobicContact CB-CG 4.36Å; P201-L205 HydrophobicContact CG-CD1 4.46Å; P201-L205 WeakPolarHBondContact O-CB 3.24Å; P201-L205 VanDerWaalsContact O-CG 3.31Å; P201-L205 WeakPolarHBondContact O-CG 3.31Å; P201-L205 PolarHBondContact O-N 3.22Å; T202-L205 PolarHBondContact O-N 3.42Å; V203-L205 VanDerWaalsContact C-N 3.32Å; V203-L205 PolarHBondContact O-N 3.46Å; L205-Q209 HydrophobicContact CD2-CB 4.46Å; L205-Q209 HydrophobicContact CD2-CG 4.28Å; L205-Q209 CarbonylContact O-C 3.49Å; L205-Q209 WeakPolarHBondContact O-CA 3.38Å; L205-Q209 VanDerWaalsContact O-CB 3.29Å; L205-Q209 WeakPolarHBondContact O-CB 3.14Å; L205-Q209 PolarHBondContact O-N 3.47Å; L205-G210 PolarHBondContact O-N 3.12Å; L205-V211 HydrophobicContact CB-CB 4.34Å; L205-V211 HydrophobicContact CB-CG2 4.3Å; L205-V211 HydrophobicContact CD2-CG2 4.39Å; L205-V211 WeakPolarHBondContact O-CB 3.49Å; L205-V211 PolarHBondContact O-N 3.03Å; L205-L214 HydrophobicContact CD1-CD2 4.37Å
206L96.3Very high97.3Very high33 Ų3328.2 Ų28.217%0.17315%0.149CC..Hα-helixtrans-67.4-48.8179.5-81.966.4000110.5T202 V203 A204 G210 L214 A240 V242T202-L206 WeakPolarHBondContact O-CD1 3.21Å; V203-L206 WeakPolarHBondContact O-CB 3.18Å; V203-L206 PolarHBondContact O-N 3.34Å; V203-L206 VanDerWaalsContact O-N 3.08Å; A204-L206 VanDerWaalsContact C-N 3.32Å; A204-L206 PolarHBondContact O-N 3.03Å; L206-G210 WeakPolarHBondContact O-CA 3.1Å; L206-G210 PolarHBondContact O-N 3.27Å; L206-L214 HydrophobicContact CD1-CD1 4.11Å; L206-L214 HydrophobicContact CD1-CD2 4.35Å; L206-A240 HydrophobicContact CD2-CB 3.8Å; L206-V242 HydrophobicContact CD1-CG1 4.5Å; L206-V242 HydrophobicContact CD2-CG1 3.72Å; L206-V242 HydrophobicContact CG-CG1 3.95Å
207L95.4Very high97.3Very high98 Ų9828.2 Ų28.251%0.51315%0.149SC..Hα-helixtrans-76.3-46.9-173.4-63.8-179.2000113.2V203 A204V203-L207 HydrophobicContact CG1-CD1 3.78Å; V203-L207 HydrophobicContact CG1-CG 4.06Å; V203-L207 WeakPolarHBondContact O-CG 3.28Å; V203-L207 PolarHBondContact O-N 3.2Å; A204-L207 PolarHBondContact O-N 2.86Å
208F96.3Very high97.3Very high142 Ų14228.1 Ų28.162%0.62315%0.148SC*.Hα-helixtrans-97.7-24.9-170.1-55.1-59.5000113.4A204A204-F208 HydrophobicContact CB-CD2 3.84Å; A204-F208 HydrophobicContact CB-CE2 4.12Å; A204-F208 WeakPolarHBondContact O-CB 3.48Å; A204-F208 WeakPolarHBondContact O-CD2 3.48Å; A204-F208 PolarHBondContact O-N 3.07Å
209Q95.4Very high97.4Very high72 Ų7227.4 Ų27.434%0.33615%0.147SC..Hα-helixtrans-105.8-3.4178-61.5-60.1-37.200113.4L177 T179 L205 V211L177-Q209 HydrophobicContact CB-CG 4.18Å; L177-Q209 HydrophobicContact CD1-CG 4.45Å; T179-Q209 HydrophobicContact CG2-CB 4.12Å; T179-Q209 HydrophobicContact CG2-CG 4.34Å; L205-Q209 HydrophobicContact CD2-CB 4.46Å; L205-Q209 HydrophobicContact CD2-CG 4.28Å; L205-Q209 CarbonylContact O-C 3.49Å; L205-Q209 WeakPolarHBondContact O-CA 3.38Å; L205-Q209 VanDerWaalsContact O-CB 3.29Å; L205-Q209 WeakPolarHBondContact O-CB 3.14Å; L205-Q209 PolarHBondContact O-N 3.47Å; Q209-V211 HydrophobicContact CB-CG2 3.91Å; Q209-V211 PolarHBondContact O-N 2.95Å
210G94Very high97.4Very high55 Ų5525.6 Ų25.657%0.56714%0.138SC*.  trans63.324179.900000113.1L205 L206 R212L205-G210 PolarHBondContact O-N 3.12Å; L206-G210 WeakPolarHBondContact O-CA 3.1Å; L206-G210 PolarHBondContact O-N 3.27Å; G210-R212 PolarHBondContact O-N 2.86Å
211V95.6Very high97.3Very high2 Ų225.6 Ų25.61%0.01214%0.137CC..  trans-68.9128.8-176.7172.10000109.8T179 K187 L205 Q209 Q213 L214T179-V211 HydrophobicContact CG2-CG2 3.62Å; K187-V211 HydrophobicContact CD-CG2 4.11Å; K187-V211 HydrophobicContact CG-CG2 4.36Å; L205-V211 HydrophobicContact CB-CB 4.34Å; L205-V211 HydrophobicContact CB-CG2 4.3Å; L205-V211 HydrophobicContact CD2-CG2 4.39Å; L205-V211 WeakPolarHBondContact O-CB 3.49Å; L205-V211 PolarHBondContact O-N 3.03Å; Q209-V211 HydrophobicContact CB-CG2 3.91Å; Q209-V211 PolarHBondContact O-N 2.95Å; V211-Q213 WeakPolarHBondContact CG1-O 3.35Å; V211-L214 HydrophobicContact CG1-CD2 3.74Å; V211-L214 HydrophobicContact CG1-CG 4.36Å
212R95.3Very high97.2Very high38 Ų3826.2 Ų26.214%0.14314%0.14CC..  trans-116.81.1172.3-63.8-161.169.6-155.7-5.6114G210 N241 V242 T243 L290 G291G210-R212 PolarHBondContact O-N 2.86Å; R212-N241 PolarHBondContact NE-O 3.31Å; R212-N241 VanDerWaalsContact NH2-CG 3.34Å; R212-N241 PolarHBondContact NH2-ND2 2.92Å; R212-N241 PolarHBondContact NH2-O 2.95Å; R212-N241 PolarHBondContact NH2-OD1 3.45Å; R212-N241 VanDerWaalsContact NH2-OD1 3.16Å; R212-V242 CarbonylContact O-C 3.6Å; R212-V242 WeakPolarHBondContact O-CA 3.22Å; R212-V242 WeakPolarHBondContact O-CB 3.24Å; R212-T243 PolarHBondContact O-N 2.92Å; R212-L290 HydrophobicContact CB-CB 3.95Å; R212-L290 HydrophobicContact CB-CD1 4.47Å; R212-G291 WeakPolarHBondContact CD-O 3.14Å; R212-G291 PolarHBondContact NH1-O 3.06Å
213Q96.9Very high97.1Very high4 Ų428 Ų282%0.01916%0.155CC..EExtended strand (participates in β ladder)trans-136.8121.2-180-55.3174.8117.100108.8Y4 A185 K187 F188 G189 V211 T243Y4-Q213 VanDerWaalsContact CE1-OE1 3.25Å; Y4-Q213 PolarHBondContact OH-OE1 2.92Å; A185-Q213 PolarHBondContact O-NE2 3.12Å; K187-Q213 PolarHBondContact O-NE2 2.98Å; F188-Q213 CarbonylContact C-O 3.56Å; F188-Q213 VanDerWaalsContact CA-O 3.3Å; F188-Q213 WeakPolarHBondContact CA-O 3.28Å; F188-Q213 HydrophobicContact CD1-CB 3.53Å; F188-Q213 HydrophobicContact CE1-CB 3.54Å; F188-Q213 HydrophobicContact CE1-CG 4.38Å; F188-Q213 HydrophobicContact CG-CB 4.17Å; F188-Q213 HydrophobicContact CZ-CB 4.18Å; G189-Q213 PolarHBondContact N-O 2.95Å; V211-Q213 WeakPolarHBondContact CG1-O 3.35Å; Q213-T243 CarbonylContact C-O 3.58Å; Q213-T243 WeakPolarHBondContact CA-O 3.4Å
214L98.6Very high96.9Very high0 Ų028.7 Ų28.70%016%0.158CC..EExtended strand (participates in β ladder)trans-110.6132.4-179.3-65.8171.8000109.3G189 I191 L205 L206 V211 F236 V242 T243 V244 L245G189-L214 WeakPolarHBondContact O-CA 3.44Å; I191-L214 HydrophobicContact CD1-CD1 3.99Å; I191-L214 HydrophobicContact CG1-CB 4.39Å; I191-L214 HydrophobicContact CG1-CD2 4.41Å; L205-L214 HydrophobicContact CD1-CD2 4.37Å; L206-L214 HydrophobicContact CD1-CD1 4.11Å; L206-L214 HydrophobicContact CD1-CD2 4.35Å; V211-L214 HydrophobicContact CG1-CD2 3.74Å; V211-L214 HydrophobicContact CG1-CG 4.36Å; L214-F236 HydrophobicContact CD1-CE1 3.74Å; L214-V242 HydrophobicContact CD1-CG2 4.2Å; L214-T243 PolarHBondContact N-O 3.34Å; L214-V244 HydrophobicContact CD1-CG2 4.5Å; L214-L245 PolarHBondContact O-N 2.85Å
215V98.8Very high96.8Very high0 Ų028.8 Ų28.80%016%0.159CC..EExtended strand (participates in β ladder)trans-90.7128.4160.6176.50000107.7I53 V55 V116 F180 F188 G189 L190 I191 L245I53-V215 HydrophobicContact CD1-CG2 3.93Å; V55-V215 HydrophobicContact CB-CG1 4.16Å; V55-V215 HydrophobicContact CG1-CG1 3.47Å; V55-V215 VanDerWaalsContact CG1-CG1 3.47Å; V55-V215 HydrophobicContact CG2-CB 4.47Å; V55-V215 HydrophobicContact CG2-CG1 3.56Å; V55-V215 HydrophobicContact CG2-CG2 4.29Å; V116-V215 HydrophobicContact CB-CG1 3.88Å; V116-V215 HydrophobicContact CG1-CG1 3.66Å; V116-V215 HydrophobicContact CG2-CG1 4.02Å; V116-V215 HydrophobicContact CG2-CG2 4.34Å; F180-V215 HydrophobicContact CE1-CG2 4.45Å; F180-V215 HydrophobicContact CZ-CG2 4.19Å; F188-V215 HydrophobicContact CB-CG2 4.36Å; F188-V215 HydrophobicContact CD1-CG2 3.75Å; F188-V215 HydrophobicContact CE1-CG2 4.45Å; F188-V215 HydrophobicContact CG-CG2 4.31Å; G189-V215 PolarHBondContact O-N 2.95Å; L190-V215 HydrophobicContact CD2-CB 3.82Å; L190-V215 HydrophobicContact CD2-CG1 4.18Å; L190-V215 HydrophobicContact CD2-CG2 4.44Å; I191-V215 PolarHBondContact N-O 3.29Å; V215-L245 HydrophobicContact CG2-CD1 4.49Å
216F98.9Very high96.8Very high0 Ų029 Ų290%016%0.16CC..EExtended strand (participates in β ladder)trans-132.194.4-172-176.2-121.6000110.8I191 C193 I196 T218 H233 V244 L245 S246 S247I191-F216 HydrophobicContact CB-CD2 4.47Å; I191-F216 HydrophobicContact CD1-CB 4.45Å; I191-F216 HydrophobicContact CD1-CD2 3.5Å; I191-F216 VanDerWaalsContact CD1-CD2 3.5Å; I191-F216 HydrophobicContact CD1-CE2 3.98Å; I191-F216 HydrophobicContact CD1-CG 4.24Å; I191-F216 HydrophobicContact CG1-CB 4.36Å; I191-F216 HydrophobicContact CG1-CD2 3.69Å; I191-F216 HydrophobicContact CG1-CE2 4.46Å; I191-F216 HydrophobicContact CG1-CG 4.46Å; C193-F216 VanDerWaalsContact CA-CZ 3.49Å; C193-F216 WeakPolarHBondContact O-CE2 3.33Å; C193-F216 WeakPolarHBondContact O-CZ 3.2Å; I196-F216 HydrophobicContact CB-CE2 3.91Å; I196-F216 HydrophobicContact CB-CZ 3.97Å; I196-F216 HydrophobicContact CD1-CE1 4.29Å; I196-F216 HydrophobicContact CD1-CE2 4.45Å; I196-F216 HydrophobicContact CD1-CZ 4.15Å; I196-F216 HydrophobicContact CG2-CE2 4.27Å; I196-F216 HydrophobicContact CG2-CZ 3.88Å; F216-T218 HydrophobicContact CD1-CG2 4.01Å; F216-T218 HydrophobicContact CE1-CG2 3.69Å; F216-T218 HydrophobicContact CZ-CG2 4.37Å; F216-H233 AromaticContact CE1-CD2 3.81Å; F216-H233 AromaticContact CE1-CE1 3.49Å; F216-H233 VanDerWaalsContact CE1-CE1 3.49Å; F216-H233 WeakPolarHBondContact CE1-CE1 3.34Å; F216-H233 AromaticContact CE1-CG 3.9Å; F216-H233 AromaticContact CE1-ND1 3.67Å; F216-H233 AromaticContact CE1-NE2 3.56Å; F216-V244 HydrophobicContact CB-CG1 3.89Å; F216-V244 HydrophobicContact CD1-CG1 4.38Å; F216-V244 HydrophobicContact CG-CG1 4.4Å; F216-L245 PolarHBondContact N-O 2.86Å; F216-S246 WeakPolarHBondContact O-CA 3.5Å; F216-S247 PolarHBondContact O-N 3.5Å
217S98.9Very high96.8Very high0 Ų028.2 Ų28.20%016%0.156CC..EExtended strand (participates in β ladder)trans-82.6129.2170.2-63.40000108.5F56 N145 I192 C193F56-S217 WeakPolarHBondContact O-CB 3.46Å; F56-S217 PolarHBondContact O-OG 2.83Å; N145-S217 WeakPolarHBondContact OD1-CB 3.12Å; I192-S217 WeakPolarHBondContact CA-O 3.3Å; C193-S217 PolarHBondContact N-O 2.96Å
218T98.9Very high96.9Very high0 Ų023.7 Ų23.70%013%0.132CC..  trans-148.1149.2-175.4-176.20000113.7E58 C193 F216 W220 S247 N248 L249E58-T218 VanDerWaalsContact CB-C 3.47Å; C193-T218 WeakPolarHBondContact CA-OG1 3.36Å; C193-T218 WeakPolarHBondContact CB-OG1 3.31Å; C193-T218 PolarHBondContact SG-OG1 3.14Å; F216-T218 HydrophobicContact CD1-CG2 4.01Å; F216-T218 HydrophobicContact CE1-CG2 3.69Å; F216-T218 HydrophobicContact CZ-CG2 4.37Å; T218-W220 HydrophobicContact CG2-CB 4.38Å; T218-W220 WeakPolarHBondContact OG1-CB 3.43Å; T218-W220 PolarHBondContact OG1-N 2.88Å; T218-S247 WeakPolarHBondContact CG2-O 3.42Å; T218-S247 PolarHBondContact N-O 3Å; T218-N248 HydrophobicContact CG2-CB 3.9Å; T218-N248 VanDerWaalsContact O-CA 3.25Å; T218-N248 WeakPolarHBondContact O-CA 3.36Å; T218-N248 PolarHBondContact O-OD1 3.09Å; T218-N248 VanDerWaalsContact O-OD1 3.13Å; T218-L249 PolarHBondContact O-N 3.04Å
219A98.4Very high96.9Very high8 Ų816.9 Ų16.97%0.06610%0.102CC..  trans-116.460.7165.900000108.3E58 N248 L249 M256E58-A219 HydrophobicContact CB-CB 4.21Å; E58-A219 HydrophobicContact CG-CB 4.31Å; E58-A219 WeakPolarHBondContact OE2-CB 3.44Å; E58-A219 PolarHBondContact OE2-N 3.06Å; A219-N248 WeakPolarHBondContact CA-OD1 3.39Å; A219-L249 HydrophobicContact CB-CD1 3.6Å; A219-L249 HydrophobicContact CB-CG 4.02Å; A219-M256 HydrophobicContact CB-CE 4.25Å; A219-M256 HydrophobicContact CB-SD 4.46Å; A219-M256 WeakPolarHBondContact O-CE 3.34Å
220W98.4Very high97Very high15 Ų1513.5 Ų13.56%0.0579%0.086CC..  trans-77.1124.8-170.5-165.8-86.9000112.1I196 L197 T218 L227 H233 N248 M256I196-W220 HydrophobicContact CG2-CH2 4.09Å; I196-W220 HydrophobicContact CG2-CZ3 3.79Å; L197-W220 HydrophobicContact CD1-CH2 3.92Å; L197-W220 HydrophobicContact CG-CH2 4.1Å; T218-W220 HydrophobicContact CG2-CB 4.38Å; T218-W220 WeakPolarHBondContact OG1-CB 3.43Å; T218-W220 PolarHBondContact OG1-N 2.88Å; W220-L227 HydrophobicContact CZ2-CB 4.22Å; W220-L227 PolarHBondContact NE1-O 2.83Å; W220-H233 AromaticContact CD2-NE2 3.64Å; W220-H233 AromaticContact CE3-NE2 3.72Å; W220-H233 AromaticContact CG-NE2 3.98Å; W220-N248 PolarHBondContact N-OD1 2.82Å; W220-N248 PolarHBondContact O-ND2 2.66Å; W220-M256 WeakPolarHBondContact O-CA 3.33Å; W220-M256 WeakPolarHBondContact O-CG 3.49Å
221M96.9Very high97.2Very high66 Ų6610.9 Ų10.933%0.3256%0.059SC..  trans-89.4114.1171.1-64.8179.4-9000109.8Y164 A223 H254 M256Y164-M221 HydrophobicContact CD1-CE 3.84Å; Y164-M221 HydrophobicContact CE1-CE 3.32Å; M221-A223 PolarHBondContact O-N 3.06Å; M221-H254 WeakPolarHBondContact CG-O 3.22Å; M221-M256 HydrophobicContact CG-CE 3.5Å; M221-M256 VanDerWaalsContact CG-CE 3.5Å; M221-M256 HydrophobicContact CG-CG 4.01Å; M221-M256 HydrophobicContact SD-CE 4.12Å
222N96.3Very high97.4Very high12 Ų1211 Ų116%0.0646%0.06CC..  trans-63.6128.8-175.8-67.5-30.9000111.8D228 S229 R255 T257 H271N222-D228 WeakPolarHBondContact CB-OD2 3.22Å; N222-D228 PolarHBondContact ND2-OD2 2.83Å; N222-D228 PolarHBondContact OD1-OD2 3.09Å; N222-S229 VanDerWaalsContact OD1-CB 3.28Å; N222-S229 WeakPolarHBondContact OD1-CB 3.39Å; N222-S229 PolarHBondContact OD1-N 3.03Å; N222-S229 PolarHBondContact OD1-OG 3.34Å; N222-R255 HydrophobicContact CB-CB 4.5Å; N222-R255 WeakPolarHBondContact CB-O 3.42Å; N222-R255 PolarHBondContact N-O 3.19Å; N222-R255 PolarHBondContact ND2-O 2.94Å; N222-T257 PolarHBondContact ND2-O 2.88Å; N222-T257 PolarHBondContact OD1-O 3.45Å; N222-H271 PolarHBondContact ND2-NE2 3.34Å
223A95Very high97.5Very high39 Ų399.2 Ų9.232%0.3225%0.053SC..BIsolated β-bridgetrans-128.583.118000000110.8M221 L226 L227M221-A223 PolarHBondContact O-N 3.06Å; A223-L226 PolarHBondContact O-N 2.88Å; A223-L227 HydrophobicContact CB-CB 4.13Å; A223-L227 PolarHBondContact N-O 2.91Å; A223-L227 VanDerWaalsContact N-O 3.09Å; A223-L227 CarbonylContact O-C 3.58Å; A223-L227 WeakPolarHBondContact O-CA 3.4Å; A223-L227 PolarHBondContact O-N 2.71Å
224L95.2Very high97.6Very high17 Ų179.6 Ų9.69%0.0895%0.054CC..THydrogen-bonded Turntrans-64.7150.3174.2-72.4166.6000111.9D228 L411 L435 M439L224-D228 HydrophobicContact CD2-CB 3.76Å; L224-D228 HydrophobicContact CG-CB 4.3Å; L224-L411 HydrophobicContact CD1-CD2 3.69Å; L224-L435 HydrophobicContact CD2-CD2 3.41Å; L224-L435 VanDerWaalsContact CD2-CD2 3.41Å; L224-M439 HydrophobicContact CD1-CE 3.89Å; L224-M439 HydrophobicContact CD1-SD 4.44Å
225P96.1Very high97.6Very high4 Ų49.7 Ų9.73%0.0266%0.055CC..THydrogen-bonded Turncis-92.60.26.135.2-35.5000115.1Q231 M331 V396 T468P225-Q231 PolarHBondContact O-NE2 2.88Å; P225-Q231 PolarHBondContact O-OE1 2.87Å; P225-M331 HydrophobicContact CG-CG 3.82Å; P225-M331 HydrophobicContact CG-SD 3.42Å; P225-M331 WeakPolarHBondContact CG-SD 3.4Å; P225-V396 HydrophobicContact CB-CG1 4.35Å; P225-V396 HydrophobicContact CG-CG1 4.08Å; P225-T468 HydrophobicContact CB-CG2 4.32Å; P225-T468 WeakPolarHBondContact O-CG2 3.25Å
226L96.7Very high97.6Very high4 Ų49.7 Ų9.72%0.0216%0.055CC..THydrogen-bonded Turntrans-106.9-28.9-167.9-57.1-177.5000114.8A223 M331 A332 Y336 V392 A394 C470 Y472A223-L226 PolarHBondContact O-N 2.88Å; L226-M331 HydrophobicContact CD1-CE 4.01Å; L226-M331 HydrophobicContact CD1-CG 4.39Å; L226-M331 HydrophobicContact CD1-SD 4.4Å; L226-M331 HydrophobicContact CD2-CE 4.2Å; L226-M331 HydrophobicContact CD2-SD 4.19Å; L226-M331 HydrophobicContact CG-CE 4.4Å; L226-M331 HydrophobicContact CG-CG 4.5Å; L226-M331 HydrophobicContact CG-SD 4.26Å; L226-A332 HydrophobicContact CD1-CB 4.41Å; L226-Y336 WeakPolarHBondContact CD1-OH 3.46Å; L226-V392 HydrophobicContact CD1-CG1 4.16Å; L226-V392 HydrophobicContact CD2-CG1 4.43Å; L226-A394 HydrophobicContact CD2-CB 4.21Å; L226-C470 HydrophobicContact CD2-CB 4.26Å; L226-Y472 HydrophobicContact CB-CD2 4.48Å; L226-Y472 HydrophobicContact CB-CE2 4.41Å; L226-Y472 HydrophobicContact CD1-CD2 4.47Å; L226-Y472 HydrophobicContact CD1-CE2 4.26Å
227L96.9Very high97.5Very high17 Ų179.7 Ų9.79%0.0896%0.055CC..BIsolated β-bridgetrans-127.739.4-165.6-64.5178.5000111.1L197 W220 A223 F232 Y472L197-L227 HydrophobicContact CD2-CD2 4.25Å; W220-L227 HydrophobicContact CZ2-CB 4.22Å; W220-L227 PolarHBondContact NE1-O 2.83Å; A223-L227 HydrophobicContact CB-CB 4.13Å; A223-L227 PolarHBondContact N-O 2.91Å; A223-L227 VanDerWaalsContact N-O 3.09Å; A223-L227 CarbonylContact O-C 3.58Å; A223-L227 WeakPolarHBondContact O-CA 3.4Å; A223-L227 PolarHBondContact O-N 2.71Å; L227-F232 HydrophobicContact CD2-CB 4.34Å; L227-F232 HydrophobicContact CD2-CD2 3.55Å; L227-F232 HydrophobicContact CD2-CE2 3.98Å; L227-F232 HydrophobicContact CD2-CG 3.87Å; L227-Y472 HydrophobicContact CD2-CE2 4.31Å
228D97.3Very high97.4Very high2 Ų211 Ų111%0.0116%0.062CC..  trans-69.3140.7159.8-175.4-82.4000109.3N222 L224 I230 Q231 F232 H271N222-D228 WeakPolarHBondContact CB-OD2 3.22Å; N222-D228 PolarHBondContact ND2-OD2 2.83Å; N222-D228 PolarHBondContact OD1-OD2 3.09Å; L224-D228 HydrophobicContact CD2-CB 3.76Å; L224-D228 HydrophobicContact CG-CB 4.3Å; D228-I230 PolarHBondContact O-N 2.82Å; D228-I230 VanDerWaalsContact OD1-CG1 3.24Å; D228-I230 WeakPolarHBondContact OD1-CG1 3.49Å; D228-I230 PolarHBondContact OD1-N 3.31Å; D228-Q231 HydrophobicContact CB-CB 4Å; D228-Q231 WeakPolarHBondContact O-CB 3.5Å; D228-Q231 PolarHBondContact O-N 3.1Å; D228-Q231 VanDerWaalsContact O-N 3.16Å; D228-F232 PolarHBondContact O-N 2.96Å; D228-H271 IonicContact OD1-CD2 2.75Å; D228-H271 PolarHBondContact OD1-CD2 2.73Å; D228-H271 IonicContact OD1-NE2 3.17Å; D228-H271 PolarHBondContact OD1-NE2 2.92Å; D228-H271 IonicContact OD2-CD2 3.38Å; D228-H271 IonicContact OD2-CE1 2.74Å; D228-H271 IonicContact OD2-NE2 3.7Å; D228-H271 PolarHBondContact OD2-NE2 3.25Å
229S97.4Very high97.3Very high0 Ų011.6 Ų11.60%07%0.068CC..Hα-helixtrans-57.1-52.3-173.151.10000112.8N222 Q231 F232 H233 T257 G258N222-S229 VanDerWaalsContact OD1-CB 3.28Å; N222-S229 WeakPolarHBondContact OD1-CB 3.39Å; N222-S229 PolarHBondContact OD1-N 3.03Å; N222-S229 PolarHBondContact OD1-OG 3.34Å; S229-Q231 PolarHBondContact O-N 3.49Å; S229-F232 PolarHBondContact O-N 2.87Å; S229-H233 WeakPolarHBondContact CB-CE1 3.44Å; S229-H233 VanDerWaalsContact O-CB 3.22Å; S229-H233 WeakPolarHBondContact O-CB 3.36Å; S229-H233 PolarHBondContact O-CD2 2.77Å; S229-H233 VanDerWaalsContact O-CD2 3.26Å; S229-H233 PolarHBondContact O-N 3.28Å; S229-H233 PolarHBondContact O-ND1 3Å; S229-T257 PolarHBondContact OG-O 3.24Å; S229-G258 WeakPolarHBondContact OG-CA 3.34Å; S229-G258 PolarHBondContact OG-O 3.26Å
230I97.4Very high97.2Very high0 Ų012.6 Ų12.60%08%0.076CC..Hα-helixtrans-65.6-30.3-179.164.7164000111.3D228 R234 G258 Y262 F269 H271 M439 V441D228-I230 PolarHBondContact O-N 2.82Å; D228-I230 VanDerWaalsContact OD1-CG1 3.24Å; D228-I230 WeakPolarHBondContact OD1-CG1 3.49Å; D228-I230 PolarHBondContact OD1-N 3.31Å; I230-R234 WeakPolarHBondContact O-CB 3.43Å; I230-R234 PolarHBondContact O-N 2.93Å; I230-G258 VanDerWaalsContact CG2-CA 3.49Å; I230-Y262 WeakPolarHBondContact CA-OH 3.39Å; I230-Y262 WeakPolarHBondContact CG2-OH 3.5Å; I230-F269 HydrophobicContact CB-CD2 4.35Å; I230-F269 HydrophobicContact CD1-CD2 3.71Å; I230-F269 HydrophobicContact CD1-CE2 3.66Å; I230-F269 HydrophobicContact CG2-CB 4.27Å; I230-F269 HydrophobicContact CG2-CD2 4.18Å; I230-H271 HydrophobicContact CD1-CB 3.91Å; I230-H271 HydrophobicContact CG2-CB 4.14Å; I230-M439 HydrophobicContact CD1-CB 4.25Å; I230-M439 WeakPolarHBondContact CD1-O 3.41Å; I230-V441 HydrophobicContact CB-CG1 4.35Å; I230-V441 HydrophobicContact CD1-CG1 3.82Å; I230-V441 HydrophobicContact CD1-CG2 4.47Å; I230-V441 HydrophobicContact CG1-CG1 3.82Å
231Q97.8Very high97.1Very high1 Ų115.8 Ų15.81%0.0059%0.094CC..Hα-helixtrans-69.2-57.7179179.5-171.66.100110.5P225 D228 S229 A235 S433 L435 V441 T468P225-Q231 PolarHBondContact O-NE2 2.88Å; P225-Q231 PolarHBondContact O-OE1 2.87Å; D228-Q231 HydrophobicContact CB-CB 4Å; D228-Q231 WeakPolarHBondContact O-CB 3.5Å; D228-Q231 PolarHBondContact O-N 3.1Å; D228-Q231 VanDerWaalsContact O-N 3.16Å; S229-Q231 PolarHBondContact O-N 3.49Å; Q231-A235 VanDerWaalsContact O-CB 3.28Å; Q231-A235 WeakPolarHBondContact O-CB 3.45Å; Q231-A235 PolarHBondContact O-N 3.37Å; Q231-S433 PolarHBondContact NE2-OG 2.81Å; Q231-L435 HydrophobicContact CG-CB 4.36Å; Q231-V441 HydrophobicContact CB-CG1 4.37Å; Q231-T468 VanDerWaalsContact NE2-CG2 3.27Å
232F98.6Very high97.1Very high4 Ų412.7 Ų12.72%0.0188%0.08CC..Hα-helixtrans-72.8-41.1-173.3-168.9-97.5000112I196 L197 L227 D228 S229 R234 A235 F236 Y431 Y472I196-F232 HydrophobicContact CG1-CE1 4.32Å; I196-F232 HydrophobicContact CG2-CD1 4.24Å; I196-F232 HydrophobicContact CG2-CE1 4.01Å; L197-F232 HydrophobicContact CD2-CD1 4.18Å; L197-F232 HydrophobicContact CD2-CE1 3.41Å; L197-F232 VanDerWaalsContact CD2-CE1 3.41Å; L197-F232 HydrophobicContact CD2-CE2 4.03Å; L197-F232 HydrophobicContact CD2-CZ 3.32Å; L197-F232 HydrophobicContact CG-CE1 4.35Å; L227-F232 HydrophobicContact CD2-CB 4.34Å; L227-F232 HydrophobicContact CD2-CD2 3.55Å; L227-F232 HydrophobicContact CD2-CE2 3.98Å; L227-F232 HydrophobicContact CD2-CG 3.87Å; D228-F232 PolarHBondContact O-N 2.96Å; S229-F232 PolarHBondContact O-N 2.87Å; F232-R234 VanDerWaalsContact C-N 3.31Å; F232-R234 PolarHBondContact O-N 3.16Å; F232-A235 WeakPolarHBondContact O-CB 3.37Å; F232-A235 PolarHBondContact O-N 3.13Å; F232-A235 VanDerWaalsContact O-N 3.15Å; F232-F236 WeakPolarHBondContact O-CB 3.46Å; F232-F236 PolarHBondContact O-N 2.82Å; F232-Y431 HydrophobicContact CE2-CD2 4.25Å; F232-Y431 HydrophobicContact CZ-CD2 4.03Å; F232-Y472 AromaticContact CE2-CD1 3.77Å; F232-Y472 HydrophobicContact CE2-CD1 3.77Å; F232-Y472 AromaticContact CE2-CE1 3.98Å; F232-Y472 HydrophobicContact CE2-CE1 3.98Å; F232-Y472 HydrophobicContact CE2-CG 4.14Å; F232-Y472 HydrophobicContact CZ-CD1 4.47Å; F232-Y472 HydrophobicContact CZ-CE1 4.49Å
233H98.6Very high97.2Very high0 Ų012.1 Ų12.10%08%0.076CC..Hα-helixtrans-66.2-37.2-179-52.6165.5000110.9F216 W220 S229 S237 S246 Y262F216-H233 AromaticContact CE1-CD2 3.81Å; F216-H233 AromaticContact CE1-CE1 3.49Å; F216-H233 VanDerWaalsContact CE1-CE1 3.49Å; F216-H233 WeakPolarHBondContact CE1-CE1 3.34Å; F216-H233 AromaticContact CE1-CG 3.9Å; F216-H233 AromaticContact CE1-ND1 3.67Å; F216-H233 AromaticContact CE1-NE2 3.56Å; W220-H233 AromaticContact CD2-NE2 3.64Å; W220-H233 AromaticContact CE3-NE2 3.72Å; W220-H233 AromaticContact CG-NE2 3.98Å; S229-H233 WeakPolarHBondContact CB-CE1 3.44Å; S229-H233 VanDerWaalsContact O-CB 3.22Å; S229-H233 WeakPolarHBondContact O-CB 3.36Å; S229-H233 PolarHBondContact O-CD2 2.77Å; S229-H233 VanDerWaalsContact O-CD2 3.26Å; S229-H233 PolarHBondContact O-N 3.28Å; S229-H233 PolarHBondContact O-ND1 3Å; H233-S237 PolarHBondContact O-N 3.4Å; H233-S237 VanDerWaalsContact O-N 3.11Å; H233-S246 PolarHBondContact ND1-OG 2.85Å; H233-Y262 HydrophobicContact CB-CD2 3.95Å; H233-Y262 HydrophobicContact CB-CE2 3.57Å
234R98Very high97.4Very high12 Ų1210.3 Ų10.35%0.0456%0.061CC..Hα-helixtrans-65.3-43.9171.6175.961.2-175.5122.3-11111.8I230 F232 F236 S237 L238 Y262 T263 P264 V441 Q443I230-R234 WeakPolarHBondContact O-CB 3.43Å; I230-R234 PolarHBondContact O-N 2.93Å; F232-R234 VanDerWaalsContact C-N 3.31Å; F232-R234 PolarHBondContact O-N 3.16Å; R234-F236 VanDerWaalsContact C-N 3.3Å; R234-F236 PolarHBondContact O-N 3.3Å; R234-S237 WeakPolarHBondContact O-CB 3.24Å; R234-S237 PolarHBondContact O-N 2.88Å; R234-L238 PolarHBondContact O-N 3.31Å; R234-Y262 HydrophobicContact CB-CD1 3.88Å; R234-Y262 HydrophobicContact CB-CE1 4.09Å; R234-Y262 HydrophobicContact CB-CG 4.31Å; R234-Y262 HydrophobicContact CG-CD1 4.37Å; R234-T263 PolarHBondContact NH1-O 2.86Å; R234-T263 PolarHBondContact NH2-O 3.33Å; R234-P264 PolarHBondContact NH1-O 2.9Å; R234-P264 PolarHBondContact NH2-O 3.44Å; R234-V441 HydrophobicContact CG-CG2 4.41Å; R234-Q443 VanDerWaalsContact NH2-OE1 3.14Å
235A98.3Very high97.6Very high2 Ų29.5 Ų9.52%0.0176%0.057CC..Hα-helixtrans-61.7-40.2179.200000111.9Q231 F232 L238 G239 P432Q231-A235 VanDerWaalsContact O-CB 3.28Å; Q231-A235 WeakPolarHBondContact O-CB 3.45Å; Q231-A235 PolarHBondContact O-N 3.37Å; F232-A235 WeakPolarHBondContact O-CB 3.37Å; F232-A235 PolarHBondContact O-N 3.13Å; F232-A235 VanDerWaalsContact O-N 3.15Å; A235-L238 PolarHBondContact O-N 2.86Å; A235-G239 PolarHBondContact O-N 2.82Å; A235-P432 VanDerWaalsContact CA-O 3.31Å; A235-P432 WeakPolarHBondContact CA-O 3.49Å; A235-P432 WeakPolarHBondContact CB-O 3.22Å
236F98.6Very high97.7Very high0 Ų09.3 Ų9.30%06%0.056CC..Hα-helixtrans-61.7-50.3173.8-173.2-88.4000111.1I196 T202 L214 F232 R234 L238 G239 A240 V242 V244 Y431I196-F236 HydrophobicContact CD1-CB 3.95Å; I196-F236 HydrophobicContact CD1-CD1 4.1Å; I196-F236 HydrophobicContact CD1-CD2 4.37Å; I196-F236 HydrophobicContact CD1-CG 3.86Å; I196-F236 HydrophobicContact CG1-CB 4.33Å; I196-F236 HydrophobicContact CG1-CD1 4.15Å; I196-F236 HydrophobicContact CG1-CD2 3.82Å; I196-F236 HydrophobicContact CG1-CE2 4.2Å; I196-F236 HydrophobicContact CG1-CG 3.81Å; T202-F236 HydrophobicContact CG2-CE1 4.1Å; T202-F236 HydrophobicContact CG2-CE2 3.91Å; T202-F236 HydrophobicContact CG2-CZ 3.37Å; L214-F236 HydrophobicContact CD1-CE1 3.74Å; F232-F236 WeakPolarHBondContact O-CB 3.46Å; F232-F236 PolarHBondContact O-N 2.82Å; R234-F236 VanDerWaalsContact C-N 3.3Å; R234-F236 PolarHBondContact O-N 3.3Å; F236-L238 VanDerWaalsContact C-N 3.32Å; F236-L238 PolarHBondContact O-N 3.46Å; F236-G239 PolarHBondContact O-N 2.85Å; F236-A240 HydrophobicContact CD1-CB 4.41Å; F236-A240 HydrophobicContact CE1-CB 4.03Å; F236-A240 HydrophobicContact CE2-CB 4.49Å; F236-A240 HydrophobicContact CZ-CB 4.05Å; F236-A240 VanDerWaalsContact O-CB 3.27Å; F236-A240 WeakPolarHBondContact O-CB 3.16Å; F236-A240 PolarHBondContact O-N 3.3Å; F236-V242 HydrophobicContact CD1-CG2 4.16Å; F236-V242 HydrophobicContact CE1-CG2 3.89Å; F236-V244 HydrophobicContact CD1-CG2 4.11Å; F236-Y431 HydrophobicContact CB-CD1 4.46Å; F236-Y431 AromaticContact CD2-CD1 3.98Å; F236-Y431 HydrophobicContact CD2-CD1 3.98Å; F236-Y431 AromaticContact CD2-CE1 3.53Å; F236-Y431 HydrophobicContact CD2-CE1 3.53Å; F236-Y431 HydrophobicContact CD2-CE2 4.3Å; F236-Y431 AromaticContact CD2-CZ 3.71Å; F236-Y431 AromaticContact CE2-CE1 3.78Å; F236-Y431 HydrophobicContact CE2-CE1 3.78Å; F236-Y431 AromaticContact CE2-CZ 3.75Å; F236-Y431 HydrophobicContact CG-CE1 4.36Å
237S98.3Very high97.8Very high0 Ų09.1 Ų9.10%06%0.055CC..Hα-helixtrans-55-44.6176.4170.70000112.8H233 R234 N241 V242 Y262 T263H233-S237 PolarHBondContact O-N 3.4Å; H233-S237 VanDerWaalsContact O-N 3.11Å; R234-S237 WeakPolarHBondContact O-CB 3.24Å; R234-S237 PolarHBondContact O-N 2.88Å; S237-N241 WeakPolarHBondContact O-CA 3.41Å; S237-N241 PolarHBondContact O-N 3.19Å; S237-N241 VanDerWaalsContact O-N 3.09Å; S237-V242 WeakPolarHBondContact CA-O 3.35Å; S237-V242 WeakPolarHBondContact CB-O 3.23Å; S237-V242 PolarHBondContact O-N 3.01Å; S237-V242 VanDerWaalsContact O-N 3.13Å; S237-V242 PolarHBondContact OG-O 2.76Å; S237-Y262 PolarHBondContact OG-O 3.27Å; S237-T263 WeakPolarHBondContact OG-CA 3.33Å; S237-T263 PolarHBondContact OG-N 2.95Å; S237-T263 PolarHBondContact OG-O 3.34Å
238L96.8Very high97.9Very high28 Ų288.3 Ų8.315%0.1475%0.05CC..Hα-helixtrans-68.5-49.3177.3175.556.9000111.9R234 A235 F236 N241 P264 P432 P444 L447R234-L238 PolarHBondContact O-N 3.31Å; A235-L238 PolarHBondContact O-N 2.86Å; F236-L238 VanDerWaalsContact C-N 3.32Å; F236-L238 PolarHBondContact O-N 3.46Å; L238-N241 PolarHBondContact O-N 2.73Å; L238-P264 VanDerWaalsContact CD1-O 3.26Å; L238-P264 WeakPolarHBondContact CD1-O 3.5Å; L238-P432 HydrophobicContact CD2-CG 3.72Å; L238-P432 HydrophobicContact CG-CG 3.9Å; L238-P444 HydrophobicContact CD2-CG 4.1Å; L238-L447 HydrophobicContact CD1-CD2 4.15Å; L238-L447 HydrophobicContact CD2-CD2 4.45Å; L238-L447 HydrophobicContact CG-CD2 4.11Å
239G96.4Very high97.9Very high12 Ų128.2 Ų8.212%0.1245%0.05CC..Hα-helixtrans-68.8-39-174.200000113.7A235 F236 V430 K449A235-G239 PolarHBondContact O-N 2.82Å; F236-G239 PolarHBondContact O-N 2.85Å; G239-V430 WeakPolarHBondContact CA-O 3.4Å; G239-K449 PolarHBondContact O-NZ 3.5Å
240A96.6Very high97.9Very high30 Ų308.7 Ų8.725%0.2485%0.052CC..Hα-helixtrans-93-3.6179.700000113.7L206 F236 V242 Y431L206-A240 HydrophobicContact CD2-CB 3.8Å; F236-A240 HydrophobicContact CD1-CB 4.41Å; F236-A240 HydrophobicContact CE1-CB 4.03Å; F236-A240 HydrophobicContact CE2-CB 4.49Å; F236-A240 HydrophobicContact CZ-CB 4.05Å; F236-A240 VanDerWaalsContact O-CB 3.27Å; F236-A240 WeakPolarHBondContact O-CB 3.16Å; F236-A240 PolarHBondContact O-N 3.3Å; A240-V242 HydrophobicContact CB-CG2 4.18Å; A240-V242 PolarHBondContact O-N 3.33Å; A240-Y431 HydrophobicContact CB-CE1 4.37Å
241N95.8Very high97.7Very high81 Ų819.3 Ų9.343%0.4336%0.055SC..THydrogen-bonded Turntrans57.145.7178.7-170.326.2000113.6R212 S237 L238 P264R212-N241 PolarHBondContact NE-O 3.31Å; R212-N241 VanDerWaalsContact NH2-CG 3.34Å; R212-N241 PolarHBondContact NH2-ND2 2.92Å; R212-N241 PolarHBondContact NH2-O 2.95Å; R212-N241 PolarHBondContact NH2-OD1 3.45Å; R212-N241 VanDerWaalsContact NH2-OD1 3.16Å; S237-N241 WeakPolarHBondContact O-CA 3.41Å; S237-N241 PolarHBondContact O-N 3.19Å; S237-N241 VanDerWaalsContact O-N 3.09Å; L238-N241 PolarHBondContact O-N 2.73Å; N241-P264 WeakPolarHBondContact OD1-CB 3.46Å; N241-P264 WeakPolarHBondContact OD1-CG 3.32Å
242V97.6Very high97.4Very high2 Ų214.7 Ų14.71%0.0128%0.08CC..  trans-127158.3179.8-60.50000112L206 R212 L214 F236 S237 A240 V244L206-V242 HydrophobicContact CD1-CG1 4.5Å; L206-V242 HydrophobicContact CD2-CG1 3.72Å; L206-V242 HydrophobicContact CG-CG1 3.95Å; R212-V242 CarbonylContact O-C 3.6Å; R212-V242 WeakPolarHBondContact O-CA 3.22Å; R212-V242 WeakPolarHBondContact O-CB 3.24Å; L214-V242 HydrophobicContact CD1-CG2 4.2Å; F236-V242 HydrophobicContact CD1-CG2 4.16Å; F236-V242 HydrophobicContact CE1-CG2 3.89Å; S237-V242 WeakPolarHBondContact CA-O 3.35Å; S237-V242 WeakPolarHBondContact CB-O 3.23Å; S237-V242 PolarHBondContact O-N 3.01Å; S237-V242 VanDerWaalsContact O-N 3.13Å; S237-V242 PolarHBondContact OG-O 2.76Å; A240-V242 HydrophobicContact CB-CG2 4.18Å; A240-V242 PolarHBondContact O-N 3.33Å; V242-V244 HydrophobicContact CG2-CG2 3.99Å
243T98.4Very high97.1Very high0 Ų023.2 Ų23.20%012%0.117CC..EExtended strand (participates in β ladder)trans-83.3136.9165.3-65.80000109.4R212 Q213 L214 L245 Y262 V287 L290R212-T243 PolarHBondContact O-N 2.92Å; Q213-T243 CarbonylContact C-O 3.58Å; Q213-T243 WeakPolarHBondContact CA-O 3.4Å; L214-T243 PolarHBondContact N-O 3.34Å; T243-L245 HydrophobicContact CG2-CD2 4.04Å; T243-Y262 CarbonylContact C-O 3.53Å; T243-Y262 WeakPolarHBondContact CA-O 3.25Å; T243-V287 HydrophobicContact CG2-CG1 3.79Å; T243-L290 WeakPolarHBondContact OG1-CD1 3.43Å
244V98.8Very high96.9Very high0 Ų025.5 Ų25.50%013%0.128CC..EExtended strand (participates in β ladder)trans-125.9118.7175-176.90000109.2L214 F216 F236 V242 Y262L214-V244 HydrophobicContact CD1-CG2 4.5Å; F216-V244 HydrophobicContact CB-CG1 3.89Å; F216-V244 HydrophobicContact CD1-CG1 4.38Å; F216-V244 HydrophobicContact CG-CG1 4.4Å; F236-V244 HydrophobicContact CD1-CG2 4.11Å; V242-V244 HydrophobicContact CG2-CG2 3.99Å; V244-Y262 HydrophobicContact CB-CD2 4.28Å; V244-Y262 PolarHBondContact N-O 3.16Å; V244-Y262 PolarHBondContact O-N 3.48Å
245L98.9Very high96.7Very high0 Ų031.6 Ų31.60%015%0.151CC..EExtended strand (participates in β ladder)trans-94.291.7171-52.8-173.2000108.3A6 V8 I53 V55 F188 L214 V215 F216 T243 I261A6-L245 HydrophobicContact CB-CD1 4.13Å; A6-L245 HydrophobicContact CB-CD2 3.86Å; V8-L245 HydrophobicContact CG1-CB 3.92Å; I53-L245 HydrophobicContact CD1-CD1 4.35Å; I53-L245 HydrophobicContact CG2-CD1 3.81Å; V55-L245 HydrophobicContact CG2-CB 3.92Å; V55-L245 HydrophobicContact CG2-CD1 4.14Å; F188-L245 HydrophobicContact CE1-CD1 3.89Å; L214-L245 PolarHBondContact O-N 2.85Å; V215-L245 HydrophobicContact CG2-CD1 4.49Å; F216-L245 PolarHBondContact N-O 2.86Å; T243-L245 HydrophobicContact CG2-CD2 4.04Å; L245-I261 HydrophobicContact CD2-CB 4.37Å; L245-I261 HydrophobicContact CD2-CG1 4.07Å; L245-I261 HydrophobicContact CD2-CG2 3.74Å
246S98.8Very high96.6Very high0 Ų031.7 Ų31.70%015%0.151CC..EExtended strand (participates in β ladder)trans-95.9114.2-173.2178.30000111.4F216 H233 G260F216-S246 WeakPolarHBondContact O-CA 3.5Å; H233-S246 PolarHBondContact ND1-OG 2.85Å; S246-G260 WeakPolarHBondContact CA-O 3.39Å; S246-G260 WeakPolarHBondContact CB-O 3.44Å; S246-G260 PolarHBondContact N-O 2.9Å; S246-G260 PolarHBondContact O-N 3.34Å
247S98.9Very high96.4Very high0 Ų032 Ų320%015%0.153CC..EExtended strand (participates in β ladder)trans-114.3113.5176.7-151.60000110Y9 V55 P57 F216 T218Y9-S247 PolarHBondContact N-OG 3.49Å; Y9-S247 VanDerWaalsContact N-OG 3.14Å; Y9-S247 PolarHBondContact O-OG 3.39Å; V55-S247 PolarHBondContact O-OG 2.78Å; P57-S247 WeakPolarHBondContact CA-O 3.37Å; P57-S247 WeakPolarHBondContact CB-O 3.35Å; F216-S247 PolarHBondContact O-N 3.5Å; T218-S247 WeakPolarHBondContact CG2-O 3.42Å; T218-S247 PolarHBondContact N-O 3Å
248N98.8Very high96.4Very high0 Ų032 Ų320%015%0.153CC..  trans-108.2161.7-175.8-159.75.9000112.6E10 H11 P57 T218 A219 W220 G258 S259E10-N248 VanDerWaalsContact CA-O 3.26Å; E10-N248 WeakPolarHBondContact CA-O 3.34Å; H11-N248 PolarHBondContact N-O 2.74Å; P57-N248 VanDerWaalsContact CG-C 3.49Å; P57-N248 WeakPolarHBondContact CG-O 3.26Å; T218-N248 HydrophobicContact CG2-CB 3.9Å; T218-N248 VanDerWaalsContact O-CA 3.25Å; T218-N248 WeakPolarHBondContact O-CA 3.36Å; T218-N248 PolarHBondContact O-OD1 3.09Å; T218-N248 VanDerWaalsContact O-OD1 3.13Å; A219-N248 WeakPolarHBondContact CA-OD1 3.39Å; W220-N248 PolarHBondContact N-OD1 2.82Å; W220-N248 PolarHBondContact O-ND2 2.66Å; N248-G258 VanDerWaalsContact CB-O 3.23Å; N248-G258 WeakPolarHBondContact CB-O 3.41Å; N248-G258 PolarHBondContact ND2-O 3.31Å; N248-S259 WeakPolarHBondContact CB-OG 3.24Å; N248-S259 PolarHBondContact N-OG 2.84Å
249L98.1Very high96.5Very high0 Ų030.7 Ų30.70%015%0.146CC..BIsolated β-bridgetrans-74.3152.2166.6-67-176.8000111.6H11 V13 P57 E58 D59 F64 T218 A219 M256 T257H11-L249 HydrophobicContact CB-CD2 4.38Å; H11-L249 WeakPolarHBondContact O-CA 3.36Å; V13-L249 HydrophobicContact CB-CD2 4.09Å; V13-L249 HydrophobicContact CG1-CD1 4.12Å; V13-L249 HydrophobicContact CG1-CD2 4.11Å; P57-L249 HydrophobicContact CB-CD2 3.67Å; P57-L249 HydrophobicContact CB-CG 4.08Å; P57-L249 HydrophobicContact CG-CD2 4.18Å; E58-L249 WeakPolarHBondContact O-CG 3.48Å; D59-L249 HydrophobicContact CB-CD1 4.37Å; F64-L249 HydrophobicContact CD1-CD1 4.05Å; F64-L249 HydrophobicContact CE1-CD1 3.85Å; T218-L249 PolarHBondContact O-N 3.04Å; A219-L249 HydrophobicContact CB-CD1 3.6Å; A219-L249 HydrophobicContact CB-CG 4.02Å; L249-M256 HydrophobicContact CB-CB 4.24Å; L249-M256 HydrophobicContact CB-SD 4.13Å; L249-M256 HydrophobicContact CD1-SD 4.1Å; L249-M256 CarbonylContact O-C 3.58Å; L249-M256 WeakPolarHBondContact O-CB 3.23Å; L249-T257 PolarHBondContact O-N 3.19Å
250R95.8Very high96.6Very high11 Ų1130.1 Ų30.14%0.04214%0.14CC..  trans-103.1106.9163.1179.866.2-179.2126.44.9109.1E10 H11 R12 M256 G276 P277 E278E10-R250 HydrophobicContact CG-CB 3.88Å; H11-R250 PolarHBondContact O-N 3.1Å; R12-R250 HydrophobicContact CB-CB 4.3Å; R250-M256 CarbonylContact C-O 3.58Å; R250-M256 WeakPolarHBondContact CA-O 3.23Å; R250-G276 PolarHBondContact NH2-O 3.35Å; R250-P277 PolarHBondContact NE-O 2.98Å; R250-E278 HydrophobicContact CG-CG 4.29Å
251N94.8Very high96.7Very high12 Ų1228.8 Ų28.86%0.06413%0.129CC..BIsolated β-bridgetrans-150.3106.2173.8-169.7-64.6000109.8K253 H254 R255 M256N251-K253 PolarHBondContact O-N 2.92Å; N251-K253 WeakPolarHBondContact OD1-CB 3.21Å; N251-K253 PolarHBondContact OD1-N 3.31Å; N251-H254 PolarHBondContact O-N 2.77Å; N251-H254 PolarHBondContact OD1-N 3.47Å; N251-H254 VanDerWaalsContact OD1-N 3.14Å; N251-H254 PolarHBondContact OD1-ND1 2.53Å; N251-R255 PolarHBondContact O-N 2.8Å; N251-M256 HydrophobicContact CB-CB 4.06Å; N251-M256 HydrophobicContact CB-CG 4.48Å; N251-M256 HydrophobicContact CB-SD 4.12Å; N251-M256 PolarHBondContact N-O 3.11Å; N251-M256 PolarHBondContact O-N 3.04Å
252E91.2Very high96.8Very high115 Ų11525 Ų2554%0.53711%0.108SC..G310 helixtrans-65.8-40.8-175.4-174.6173.4174.700112.2H254 R255E252-H254 PolarHBondContact O-N 3.14Å; E252-H254 VanDerWaalsContact O-N 3.13Å; E252-R255 PolarHBondContact O-N 2.9Å
253K92Very high96.8Very high182 Ų18225 Ų2579%0.79111%0.108SC*.G310 helixtrans-56.6-33.2-179.1-178.5178.3176.1-177.30112.7N251N251-K253 PolarHBondContact O-N 2.92Å; N251-K253 WeakPolarHBondContact OD1-CB 3.21Å; N251-K253 PolarHBondContact OD1-N 3.31Å
254H93.3Very high96.6Very high48 Ų4825.4 Ų25.422%0.22211%0.111CC..G310 helixtrans-104.49.9-179.9-57.386.6000113.1F64 M221 N251 E252 M256F64-H254 AromaticContact CE2-CE1 3.85Å; F64-H254 AromaticContact CE2-NE2 3.92Å; F64-H254 AromaticContact CZ-ND1 3.86Å; M221-H254 WeakPolarHBondContact CG-O 3.22Å; N251-H254 PolarHBondContact O-N 2.77Å; N251-H254 PolarHBondContact OD1-N 3.47Å; N251-H254 VanDerWaalsContact OD1-N 3.14Å; N251-H254 PolarHBondContact OD1-ND1 2.53Å; E252-H254 PolarHBondContact O-N 3.14Å; E252-H254 VanDerWaalsContact O-N 3.13Å; H254-M256 HydrophobicContact CB-CE 4.02Å; H254-M256 HydrophobicContact CB-CG 4.09Å; H254-M256 HydrophobicContact CB-SD 4.08Å; H254-M256 PolarHBondContact O-N 2.79Å
255R94.1Very high96.3Very high140 Ų14030.8 Ų30.853%0.52814%0.135SC..THydrogen-bonded Turntrans5736.9-177.4-54.6174.1-70.3177-0.3112.9N222 N251 E252N222-R255 HydrophobicContact CB-CB 4.5Å; N222-R255 WeakPolarHBondContact CB-O 3.42Å; N222-R255 PolarHBondContact N-O 3.19Å; N222-R255 PolarHBondContact ND2-O 2.94Å; N251-R255 PolarHBondContact O-N 2.8Å; E252-R255 PolarHBondContact O-N 2.9Å
256M96.3Very high96Very high5 Ų533 Ų333%0.02515%0.15CC..BIsolated β-bridgetrans-97.4112.2175.2-58.7170.4171.900109.1F64 A219 W220 M221 L249 R250 N251 H254F64-M256 HydrophobicContact CE1-CE 4.05Å; F64-M256 HydrophobicContact CE1-SD 3.92Å; F64-M256 HydrophobicContact CZ-CE 4.12Å; F64-M256 HydrophobicContact CZ-SD 4.15Å; A219-M256 HydrophobicContact CB-CE 4.25Å; A219-M256 HydrophobicContact CB-SD 4.46Å; A219-M256 WeakPolarHBondContact O-CE 3.34Å; W220-M256 WeakPolarHBondContact O-CA 3.33Å; W220-M256 WeakPolarHBondContact O-CG 3.49Å; M221-M256 HydrophobicContact CG-CE 3.5Å; M221-M256 VanDerWaalsContact CG-CE 3.5Å; M221-M256 HydrophobicContact CG-CG 4.01Å; M221-M256 HydrophobicContact SD-CE 4.12Å; L249-M256 HydrophobicContact CB-CB 4.24Å; L249-M256 HydrophobicContact CB-SD 4.13Å; L249-M256 HydrophobicContact CD1-SD 4.1Å; L249-M256 CarbonylContact O-C 3.58Å; L249-M256 WeakPolarHBondContact O-CB 3.23Å; R250-M256 CarbonylContact C-O 3.58Å; R250-M256 WeakPolarHBondContact CA-O 3.23Å; N251-M256 HydrophobicContact CB-CB 4.06Å; N251-M256 HydrophobicContact CB-CG 4.48Å; N251-M256 HydrophobicContact CB-SD 4.12Å; N251-M256 PolarHBondContact N-O 3.11Å; N251-M256 PolarHBondContact O-N 3.04Å; H254-M256 HydrophobicContact CB-CE 4.02Å; H254-M256 HydrophobicContact CB-CG 4.09Å; H254-M256 HydrophobicContact CB-SD 4.08Å; H254-M256 PolarHBondContact O-N 2.79Å
257T95.8Very high95.9Very high7 Ų734.7 Ų34.74%0.04316%0.164CC..  trans-170.9154.3169.3-177.10000106.5E10 N222 S229 L249 A272E10-T257 PolarHBondContact OE1-OG1 2.96Å; N222-T257 PolarHBondContact ND2-O 2.88Å; N222-T257 PolarHBondContact OD1-O 3.45Å; S229-T257 PolarHBondContact OG-O 3.24Å; L249-T257 PolarHBondContact O-N 3.19Å; T257-A272 HydrophobicContact CG2-CB 4.19Å; T257-A272 WeakPolarHBondContact OG1-CB 3.29Å; T257-A272 PolarHBondContact OG1-N 2.96Å
258G96.8Very high95.9Very high0 Ų037 Ų370%018%0.179CC..  trans117.886.5-178.800000110.7E10 S229 I230 N248 Y270E10-G258 PolarHBondContact OE2-N 3.03Å; S229-G258 WeakPolarHBondContact OG-CA 3.34Å; S229-G258 PolarHBondContact OG-O 3.26Å; I230-G258 VanDerWaalsContact CG2-CA 3.49Å; N248-G258 VanDerWaalsContact CB-O 3.23Å; N248-G258 WeakPolarHBondContact CB-O 3.41Å; N248-G258 PolarHBondContact ND2-O 3.31Å; G258-Y270 WeakPolarHBondContact CA-O 3.49Å
259S98.6Very high95.8Very high0 Ų039.8 Ų39.80%019%0.191CC..EExtended strand (participates in β ladder)trans-116.6152.5174.5-57.80000109.4E10 N248 F269 Y270 L283E10-S259 VanDerWaalsContact CB-OG 3.26Å; E10-S259 WeakPolarHBondContact CB-OG 3.43Å; E10-S259 WeakPolarHBondContact OE2-CB 3.4Å; E10-S259 PolarHBondContact OE2-N 3.27Å; E10-S259 VanDerWaalsContact OE2-N 3.09Å; E10-S259 PolarHBondContact OE2-OG 2.96Å; N248-S259 WeakPolarHBondContact CB-OG 3.24Å; N248-S259 PolarHBondContact N-OG 2.84Å; S259-F269 CarbonylContact O-C 3.56Å; S259-F269 VanDerWaalsContact O-CA 3.26Å; S259-F269 WeakPolarHBondContact O-CA 3.5Å; S259-F269 WeakPolarHBondContact O-CB 3.38Å; S259-Y270 PolarHBondContact N-O 3.33Å; S259-Y270 PolarHBondContact O-N 3.1Å; S259-L283 WeakPolarHBondContact O-CD1 3.46Å
260G98.4Very high95.6Very high0 Ų041.9 Ų41.90%020%0.199CC..EExtended strand (participates in β ladder)trans-175.8167.218000000115.4S246 T268S246-G260 WeakPolarHBondContact CA-O 3.39Å; S246-G260 WeakPolarHBondContact CB-O 3.44Å; S246-G260 PolarHBondContact N-O 2.9Å; S246-G260 PolarHBondContact O-N 3.34Å; G260-T268 CarbonylContact C-O 3.54Å; G260-T268 WeakPolarHBondContact CA-O 3.42Å
261I98.8Very high95.5Very high2 Ų242.6 Ų42.61%0.0120%0.203CC..EExtended strand (participates in β ladder)trans-116.5109176.6-65.3167.6000105.8A6 V8 L245 T268 T285 V287A6-I261 HydrophobicContact CB-CD1 4.16Å; A6-I261 WeakPolarHBondContact O-CD1 3.39Å; V8-I261 HydrophobicContact CB-CG1 4.5Å; V8-I261 HydrophobicContact CG1-CD1 4.26Å; V8-I261 HydrophobicContact CG1-CG1 3.78Å; V8-I261 HydrophobicContact CG2-CD1 4.25Å; V8-I261 HydrophobicContact CG2-CG1 3.93Å; L245-I261 HydrophobicContact CD2-CB 4.37Å; L245-I261 HydrophobicContact CD2-CG1 4.07Å; L245-I261 HydrophobicContact CD2-CG2 3.74Å; I261-T268 PolarHBondContact N-O 3.12Å; I261-T268 PolarHBondContact O-N 2.9Å; I261-T285 HydrophobicContact CB-CG2 3.87Å; I261-T285 HydrophobicContact CD1-CG2 3.74Å; I261-T285 HydrophobicContact CG1-CG2 4.4Å; I261-T285 HydrophobicContact CG2-CG2 3.63Å; I261-V287 HydrophobicContact CG2-CG2 3.47Å; I261-V287 VanDerWaalsContact CG2-CG2 3.47Å
262Y98.5Very high95.1Very high0 Ų042.8 Ų42.80%021%0.206CC..EExtended strand (participates in β ladder)trans-112.7130.1-173.5-49.1-64.8000109.3I230 H233 R234 S237 T243 V244 A267 F269I230-Y262 WeakPolarHBondContact CA-OH 3.39Å; I230-Y262 WeakPolarHBondContact CG2-OH 3.5Å; H233-Y262 HydrophobicContact CB-CD2 3.95Å; H233-Y262 HydrophobicContact CB-CE2 3.57Å; R234-Y262 HydrophobicContact CB-CD1 3.88Å; R234-Y262 HydrophobicContact CB-CE1 4.09Å; R234-Y262 HydrophobicContact CB-CG 4.31Å; R234-Y262 HydrophobicContact CG-CD1 4.37Å; S237-Y262 PolarHBondContact OG-O 3.27Å; T243-Y262 CarbonylContact C-O 3.53Å; T243-Y262 WeakPolarHBondContact CA-O 3.25Å; V244-Y262 HydrophobicContact CB-CD2 4.28Å; V244-Y262 PolarHBondContact N-O 3.16Å; V244-Y262 PolarHBondContact O-N 3.48Å; Y262-A267 HydrophobicContact CD1-CB 3.94Å; Y262-A267 HydrophobicContact CE1-CB 4.39Å; Y262-F269 HydrophobicContact CE1-CB 3.88Å
263T97.2Very high94.7Very high2 Ų240.1 Ų40.11%0.01220%0.197CC..EExtended strand (participates in β ladder)trans-117.7164.7167.979.90000107.7R234 S237 F265 S266 V287 P288R234-T263 PolarHBondContact NH1-O 2.86Å; R234-T263 PolarHBondContact NH2-O 3.33Å; S237-T263 WeakPolarHBondContact OG-CA 3.33Å; S237-T263 PolarHBondContact OG-N 2.95Å; S237-T263 PolarHBondContact OG-O 3.34Å; T263-F265 PolarHBondContact O-N 3.02Å; T263-F265 PolarHBondContact OG1-N 2.85Å; T263-S266 PolarHBondContact N-O 3.31Å; T263-S266 PolarHBondContact O-N 2.82Å; T263-S266 PolarHBondContact OG1-N 3.17Å; T263-S266 PolarHBondContact OG1-OG 3.47Å; T263-V287 HydrophobicContact CG2-CG1 3.97Å; T263-P288 HydrophobicContact CG2-CG 4.25Å
264P94.4Very high93.2Very high10 Ų1035.9 Ų35.97%0.06518%0.183CC..THydrogen-bonded Turntrans-53-28.3-179.6-27.936.8000113.6R234 L238 N241 L290R234-P264 PolarHBondContact NH1-O 2.9Å; R234-P264 PolarHBondContact NH2-O 3.44Å; L238-P264 VanDerWaalsContact CD1-O 3.26Å; L238-P264 WeakPolarHBondContact CD1-O 3.5Å; N241-P264 WeakPolarHBondContact OD1-CB 3.46Å; N241-P264 WeakPolarHBondContact OD1-CG 3.32Å; P264-L290 HydrophobicContact CG-CD1 3.94Å
265F92.2Very high91.5Very high112 Ų11245.2 Ų45.249%0.49122%0.217SC..THydrogen-bonded Turntrans-122.65.8-173.247.2-98.1000114.5T263 P288 L290 Q443T263-F265 PolarHBondContact O-N 3.02Å; T263-F265 PolarHBondContact OG1-N 2.85Å; F265-P288 HydrophobicContact CE2-CG 3.59Å; F265-P288 HydrophobicContact CZ-CB 4.09Å; F265-P288 HydrophobicContact CZ-CG 3.32Å; F265-L290 HydrophobicContact CE1-CD2 4.09Å; F265-L290 HydrophobicContact CZ-CD2 4.48Å; F265-Q443 PolarHBondContact O-OE1 3.37Å
266S93.9Very high90Very high47 Ų4739.5 Ų39.533%0.32920%0.201SC..EExtended strand (participates in β ladder)trans-151.9157.4176.772.40000112.4T263T263-S266 PolarHBondContact N-O 3.31Å; T263-S266 PolarHBondContact O-N 2.82Å; T263-S266 PolarHBondContact OG1-N 3.17Å; T263-S266 PolarHBondContact OG1-OG 3.47Å
267A96.3Very high88.8Confident35 Ų3542.5 Ų42.529%0.28922%0.221SC..EExtended strand (participates in β ladder)trans-139.7131.2176.500000109.6Y262 F269Y262-A267 HydrophobicContact CD1-CB 3.94Å; Y262-A267 HydrophobicContact CE1-CB 4.39Å; A267-F269 HydrophobicContact CB-CD1 3.95Å; A267-F269 HydrophobicContact CB-CE1 4.33Å
268T97.6Very high88.3Confident49 Ų4945.6 Ų45.630%0.30124%0.235SC..EExtended strand (participates in β ladder)trans-122.4115.2164.4-60.10000106.9G260 I261 T285G260-T268 CarbonylContact C-O 3.54Å; G260-T268 WeakPolarHBondContact CA-O 3.42Å; I261-T268 PolarHBondContact N-O 3.12Å; I261-T268 PolarHBondContact O-N 2.9Å; T268-T285 HydrophobicContact CG2-CG2 4.4Å; T268-T285 PolarHBondContact OG1-OG1 3.42Å
269F96.8Very high88Confident58 Ų5851.6 Ų51.625%0.25426%0.263SS..EExtended strand (participates in β ladder)trans-143.7165.6-17162.9-86.3000111.4I230 S259 Y262 A267 E440 V441I230-F269 HydrophobicContact CB-CD2 4.35Å; I230-F269 HydrophobicContact CD1-CD2 3.71Å; I230-F269 HydrophobicContact CD1-CE2 3.66Å; I230-F269 HydrophobicContact CG2-CB 4.27Å; I230-F269 HydrophobicContact CG2-CD2 4.18Å; S259-F269 CarbonylContact O-C 3.56Å; S259-F269 VanDerWaalsContact O-CA 3.26Å; S259-F269 WeakPolarHBondContact O-CA 3.5Å; S259-F269 WeakPolarHBondContact O-CB 3.38Å; Y262-F269 HydrophobicContact CE1-CB 3.88Å; A267-F269 HydrophobicContact CB-CD1 3.95Å; A267-F269 HydrophobicContact CB-CE1 4.33Å; F269-E440 HydrophobicContact CZ-CG 4.38Å; F269-V441 HydrophobicContact CD1-CG2 3.73Å; F269-V441 HydrophobicContact CD2-CG2 4.46Å; F269-V441 HydrophobicContact CE1-CG2 3.33Å; F269-V441 HydrophobicContact CE2-CG2 4.13Å; F269-V441 HydrophobicContact CG-CG2 4.29Å; F269-V441 HydrophobicContact CZ-CG2 3.57Å
270Y94.9Very high87.8Confident45 Ų4552.8 Ų52.818%0.17628%0.275CS..EExtended strand (participates in β ladder)trans-135.9137.3169.8169.9-99.8000108.6E10 G258 S259 A272 R281E10-Y270 WeakPolarHBondContact OE1-CE1 3.38Å; G258-Y270 WeakPolarHBondContact CA-O 3.49Å; S259-Y270 PolarHBondContact N-O 3.33Å; S259-Y270 PolarHBondContact O-N 3.1Å; Y270-A272 HydrophobicContact CE1-CB 4.47Å; Y270-R281 HydrophobicContact CD1-CB 3.71Å; Y270-R281 HydrophobicContact CD1-CG 3.92Å; Y270-R281 HydrophobicContact CD2-CG 4.03Å; Y270-R281 HydrophobicContact CE1-CB 3.93Å; Y270-R281 HydrophobicContact CE1-CG 4.35Å; Y270-R281 HydrophobicContact CE2-CG 4.46Å; Y270-R281 HydrophobicContact CG-CB 4.07Å; Y270-R281 HydrophobicContact CG-CG 3.73Å
271H92.7Very high87.8Confident26 Ų2659.2 Ų59.212%0.1230%0.3CS..  trans-143.5131.1173.4-170.9-66.5000108N222 D228 I230 V273 M439N222-H271 PolarHBondContact ND2-NE2 3.34Å; D228-H271 IonicContact OD1-CD2 2.75Å; D228-H271 PolarHBondContact OD1-CD2 2.73Å; D228-H271 IonicContact OD1-NE2 3.17Å; D228-H271 PolarHBondContact OD1-NE2 2.92Å; D228-H271 IonicContact OD2-CD2 3.38Å; D228-H271 IonicContact OD2-CE1 2.74Å; D228-H271 IonicContact OD2-NE2 3.7Å; D228-H271 PolarHBondContact OD2-NE2 3.25Å; I230-H271 HydrophobicContact CD1-CB 3.91Å; I230-H271 HydrophobicContact CG2-CB 4.14Å; H271-V273 PolarHBondContact O-N 2.58Å; H271-M439 HydrophobicContact CB-CB 4.22Å
272A88.3Confident87.8Confident15 Ų1560.6 Ų60.612%0.12431%0.307CS..  trans-77.1111.5-18000000110.7T257 Y270T257-A272 HydrophobicContact CG2-CB 4.19Å; T257-A272 WeakPolarHBondContact OG1-CB 3.29Å; T257-A272 PolarHBondContact OG1-N 2.96Å; Y270-A272 HydrophobicContact CE1-CB 4.47Å
273V80.9Confident87.8Confident59 Ų5961.4 Ų61.436%0.35831%0.311SS..  trans-89.9144.2173.5-169.80000110H271 R275 G276 C438 M439H271-V273 PolarHBondContact O-N 2.58Å; V273-R275 PolarHBondContact O-N 3.12Å; V273-G276 PolarHBondContact O-N 3.3Å; V273-C438 HydrophobicContact CG2-CB 4.49Å; V273-C438 VanDerWaalsContact CG2-O 3.23Å; V273-C438 WeakPolarHBondContact CG2-O 3.42Å; V273-M439 HydrophobicContact CG2-CB 4.19Å; V273-M439 HydrophobicContact CG2-CG 4.34Å
274N60.6Low87.9Confident93 Ų9362.9 Ų62.950%0.49732%0.32SS..THydrogen-bonded Turntrans0.5107.6174.7-75.3-14.9000116.4G276 E412N274-G276 VanDerWaalsContact C-N 3.28Å; N274-G276 PolarHBondContact O-N 3.32Å; N274-E412 PolarHBondContact ND2-OE1 2.93Å
275R57.8Low88Confident245 Ų24564.1 Ų64.193%0.92533%0.327SS*.THydrogen-bonded Turntrans67.115.1-177.7-50.1-175.6-176.7-169.31.4115.9V273V273-R275 PolarHBondContact O-N 3.12Å
276G64Low88.3Confident20 Ų2065.7 Ų65.721%0.20633%0.334CS..  trans-57.1146.7167.300000111.3R250 V273 N274 E278R250-G276 PolarHBondContact NH2-O 3.35Å; V273-G276 PolarHBondContact O-N 3.3Å; N274-G276 VanDerWaalsContact C-N 3.28Å; N274-G276 PolarHBondContact O-N 3.32Å; G276-E278 PolarHBondContact O-N 3.43Å
277P71.2Confident88.5Confident68 Ų6863.4 Ų63.444%0.44232%0.318SS..  trans-58.1140.7-177.124.6-33000110.8R250 E279R250-P277 PolarHBondContact NE-O 2.98Å; P277-E279 HydrophobicContact CB-CB 4.21Å; P277-E279 HydrophobicContact CB-CG 3.91Å; P277-E279 PolarHBondContact O-N 3.23Å
278E84.6Confident88.4Confident72 Ų7263.3 Ų63.334%0.33632%0.315SS..SBendtrans-77.674.6167.5-158.3-171.4-147.200107.6R12 R250 G276R12-E278 WeakPolarHBondContact CD-O 3.46Å; R12-E278 IonicContact CZ-OE2 3.99Å; R12-E278 PolarHBondContact NE-O 2.65Å; R12-E278 IonicContact NE-OE2 3.88Å; R12-E278 PolarHBondContact NE-OE2 2.98Å; R12-E278 IonicContact NH2-OE2 2.87Å; R12-E278 PolarHBondContact NH2-OE2 2.9Å; R250-E278 HydrophobicContact CG-CG 4.29Å; G276-E278 PolarHBondContact O-N 3.43Å
279E90.9Very high88.2Confident126 Ų12662.9 Ų62.959%0.58931%0.312SS*.  trans-134.2151.2-178-73.8176.9-167.200110P277P277-E279 HydrophobicContact CB-CB 4.21Å; P277-E279 HydrophobicContact CB-CG 3.91Å; P277-E279 PolarHBondContact O-N 3.23Å
280G94.6Very high88Confident25 Ų2561.1 Ų61.126%0.25831%0.305SS..  trans-72.9156.1172.800000112.2E10E10-G280 CarbonylContact O-C 3.39Å; E10-G280 WeakPolarHBondContact O-CA 3.45Å
281R97.2Very high86.9Confident135 Ų13560.7 Ų60.751%0.50931%0.314SS..EExtended strand (participates in β ladder)trans-136.3118.9-177.6-169.473.1177.7-172.1-1.3111.6Y9 E10 Y270 L283Y9-R281 WeakPolarHBondContact CD2-O 3.4Å; E10-R281 HydrophobicContact CB-CB 4.13Å; E10-R281 PolarHBondContact N-O 2.87Å; E10-R281 PolarHBondContact O-N 2.85Å; Y270-R281 HydrophobicContact CD1-CB 3.71Å; Y270-R281 HydrophobicContact CD1-CG 3.92Å; Y270-R281 HydrophobicContact CD2-CG 4.03Å; Y270-R281 HydrophobicContact CE1-CB 3.93Å; Y270-R281 HydrophobicContact CE1-CG 4.35Å; Y270-R281 HydrophobicContact CE2-CG 4.46Å; Y270-R281 HydrophobicContact CG-CB 4.07Å; Y270-R281 HydrophobicContact CG-CG 3.73Å; R281-L283 HydrophobicContact CG-CD2 4.09Å
282L98.6Very high85.6Confident31 Ų3165.3 Ų65.316%0.16235%0.346CS..EExtended strand (participates in β ladder)trans-85.3125.1169.3-176.566.1000109.9A7 Y9 K45 A46 L54 V284A7-L282 HydrophobicContact CB-CD1 4.18Å; Y9-L282 HydrophobicContact CD2-CB 3.99Å; Y9-L282 HydrophobicContact CD2-CD1 4.39Å; K45-L282 HydrophobicContact CB-CD2 3.7Å; A46-L282 HydrophobicContact CB-CD1 4.41Å; A46-L282 HydrophobicContact CB-CD2 4.27Å; L54-L282 HydrophobicContact CD1-CD1 3.84Å; L282-V284 HydrophobicContact CD1-CG2 4.38Å; L282-V284 HydrophobicContact CD2-CG2 4.04Å; L282-V284 HydrophobicContact CG-CG2 3.88Å
283L98.6Very high84Confident16 Ų1671 Ų718%0.08438%0.38CS..EExtended strand (participates in β ladder)trans-110.4128172.4-60.6177.4000108.6A7 V8 S259 R281A7-L283 CarbonylContact C-O 3.58Å; A7-L283 WeakPolarHBondContact CA-O 3.34Å; V8-L283 HydrophobicContact CG2-CB 3.89Å; V8-L283 HydrophobicContact CG2-CD1 4.05Å; V8-L283 HydrophobicContact CG2-CG 4.4Å; V8-L283 PolarHBondContact N-O 3.47Å; V8-L283 PolarHBondContact O-N 2.73Å; S259-L283 WeakPolarHBondContact O-CD1 3.46Å; R281-L283 HydrophobicContact CG-CD2 4.09Å
284V98.7Very high82.1Confident33 Ų3371.1 Ų71.120%0.239%0.392CS..EExtended strand (participates in β ladder)trans-130.4126.6177.6-172.40000108.3V5 A6 A7 Q49 A51 L282V5-V284 HydrophobicContact CG1-CG1 3.39Å; A6-V284 WeakPolarHBondContact O-CA 3.07Å; A7-V284 HydrophobicContact CB-CG2 3.94Å; Q49-V284 HydrophobicContact CB-CB 4.42Å; Q49-V284 HydrophobicContact CB-CG1 3.9Å; Q49-V284 HydrophobicContact CB-CG2 4.33Å; A51-V284 HydrophobicContact CB-CG1 4.4Å; L282-V284 HydrophobicContact CD1-CG2 4.38Å; L282-V284 HydrophobicContact CD2-CG2 4.04Å; L282-V284 HydrophobicContact CG-CG2 3.88Å
285T98.3Very high80.8Confident36 Ų3672.9 Ų72.922%0.22141%0.406CS..EExtended strand (participates in β ladder)trans-149.4160.7177.8-163.40000111.9V5 A6 I261 T268 V287V5-T285 WeakPolarHBondContact CA-O 3.44Å; A6-T285 PolarHBondContact N-O 3.12Å; A6-T285 PolarHBondContact O-N 3.03Å; I261-T285 HydrophobicContact CB-CG2 3.87Å; I261-T285 HydrophobicContact CD1-CG2 3.74Å; I261-T285 HydrophobicContact CG1-CG2 4.4Å; I261-T285 HydrophobicContact CG2-CG2 3.63Å; T268-T285 HydrophobicContact CG2-CG2 4.4Å; T268-T285 PolarHBondContact OG1-OG1 3.42Å; T285-V287 HydrophobicContact CG2-CG2 4.03Å
286K97.9Very high79.5Confident145 Ų14568.9 Ų68.963%0.6340%0.403SS*.EExtended strand (participates in β ladder)trans-82.5127173.6-172.6177.8178.4-177.40109.1S3 Y4S3-K286 VanDerWaalsContact CB-CE 3.48Å; S3-K286 WeakPolarHBondContact OG-CE 3.36Å; Y4-K286 CarbonylContact O-C 3.47Å; Y4-K286 WeakPolarHBondContact O-CA 3.44Å
287V97.5Very high77.8Confident0 Ų075.1 Ų75.10%043%0.432CS..EExtended strand (participates in β ladder)trans-117.4128.7-175.5-173.20000109.1S3 Y4 A6 T243 I261 T263 T285S3-V287 CarbonylContact C-O 3.56Å; S3-V287 WeakPolarHBondContact CA-O 3.33Å; S3-V287 WeakPolarHBondContact CB-O 3.49Å; Y4-V287 HydrophobicContact CD1-CB 4.22Å; Y4-V287 WeakPolarHBondContact CD1-O 3.24Å; Y4-V287 HydrophobicContact CE1-CB 3.76Å; Y4-V287 HydrophobicContact CE1-CG1 3.73Å; Y4-V287 HydrophobicContact CE2-CB 4.25Å; Y4-V287 PolarHBondContact N-O 3.23Å; Y4-V287 PolarHBondContact O-N 3.38Å; A6-V287 HydrophobicContact CB-CG2 3.63Å; T243-V287 HydrophobicContact CG2-CG1 3.79Å; I261-V287 HydrophobicContact CG2-CG2 3.47Å; I261-V287 VanDerWaalsContact CG2-CG2 3.47Å; T263-V287 HydrophobicContact CG2-CG1 3.97Å; T285-V287 HydrophobicContact CG2-CG2 4.03Å
288P95.5Very high76.2Confident33 Ų3379.4 Ų79.421%0.21446%0.456CS..EExtended strand (participates in β ladder)trans-70.3142.9172.228.8-30.6000110.6T263 F265 L290T263-P288 HydrophobicContact CG2-CG 4.25Å; F265-P288 HydrophobicContact CE2-CG 3.59Å; F265-P288 HydrophobicContact CZ-CB 4.09Å; F265-P288 HydrophobicContact CZ-CG 3.32Å; P288-L290 PolarHBondContact O-N 3.27Å
289V93.6Very high73.5Confident40 Ų4078.6 Ų78.624%0.24247%0.468CS..  trans-79.1123.1173.2-178.50000108.4A1 D2 Y4 F184 A185 G291A1-V289 WeakPolarHBondContact O-CG2 2.91Å; D2-V289 PolarHBondContact O-N 3.44Å; Y4-V289 HydrophobicContact CD1-CG2 3.76Å; Y4-V289 HydrophobicContact CE1-CG2 4.24Å; F184-V289 VanDerWaalsContact O-CG2 3.32Å; F184-V289 WeakPolarHBondContact O-CG2 3.31Å; A185-V289 HydrophobicContact CB-CG1 4.32Å; A185-V289 HydrophobicContact CB-CG2 3.89Å; V289-G291 PolarHBondContact O-N 3.18Å
290L91Very high70.7Confident21 Ų2180 Ų8011%0.1148%0.479CS..  trans-82.4109.8176.4-66.2-174.1000109.3R212 T243 P264 F265 P288R212-L290 HydrophobicContact CB-CB 3.95Å; R212-L290 HydrophobicContact CB-CD1 4.47Å; T243-L290 WeakPolarHBondContact OG1-CD1 3.43Å; P264-L290 HydrophobicContact CG-CD1 3.94Å; F265-L290 HydrophobicContact CE1-CD2 4.09Å; F265-L290 HydrophobicContact CZ-CD2 4.48Å; P288-L290 PolarHBondContact O-N 3.27Å
291G71.8Confident67.6Low36 Ų3684.2 Ų84.237%0.37151%0.505SS..  trans-64.716617900000113.7R212 V289R212-G291 WeakPolarHBondContact CD-O 3.14Å; R212-G291 PolarHBondContact NH1-O 3.06Å; V289-G291 PolarHBondContact O-N 3.18Å
292P65.1Low64.6Low122 Ų12286.7 Ų86.779%0.79252%0.524SS*.  trans-53.8151174.6-20.631.4000111.4G294P292-G294 VanDerWaalsContact C-N 3.34Å; P292-G294 PolarHBondContact O-N 2.75Å
293V55.7Low61.2Low136 Ų13690.1 Ų90.182%0.82455%0.551SS**SBendtrans-69.492.1177-177.90000108.7
294G40.7Very low57.9Low61 Ų6195.5 Ų95.563%0.62959%0.587SS**SBendtrans159.5121.9174.400000114.5P292P292-G294 VanDerWaalsContact C-N 3.34Å; P292-G294 PolarHBondContact O-N 2.75Å
295V32.9Very low54.6Low129 Ų129100.6 Ų100.678%0.78262%0.617SS**  trans72.760.6174.7-151.50000116.7
296N30.3Very low51.2Low162 Ų162103 Ų10387%0.86664%0.641SS**SBendtrans-104.7125.3133.8-82.4-23.2000107.2V298N296-V298 PolarHBondContact O-N 3.45Å
297N29.7Very low48.1Very low151 Ų151102.9 Ų102.981%0.80765%0.653SS**  trans-45.3119.6-178.8-70.6-39.5000111.1G299N297-G299 PolarHBondContact O-N 3.43Å
298V36.7Very low44.7Very low157 Ų157111.8 Ų111.895%0.95270%0.695SS**  trans-65.779.5151.9-1780000105.7N296N296-V298 PolarHBondContact O-N 3.45Å
299G29Very low41.7Very low56 Ų56115.5 Ų115.558%0.57772%0.721SS**  trans-105.8106175.500000109.3N297N297-G299 PolarHBondContact O-N 3.43Å
300D31.4Very low38.5Very low154 Ų154121 Ų12182%0.82475%0.749SS**SBendtrans55.1110.1159.3-64.9-27.3000117.9
301S29.7Very low35.9Very low114 Ų114128.2 Ų128.280%0.79778%0.782SS**  -154.495.556.7-61.80000111.2
302M33.5Very low33.9Very low188 Ų188132.6 Ų132.693%0.92681%0.806SS**  trans-102.698.6154.6-75.9-163.786.100107.4
303S27.3Very low32.5Very low103 Ų103135.4 Ų135.472%0.7281%0.808SS**  trans-76.5129.2162.7-65.10000108.5V305S303-V305 PolarHBondContact O-N 2.93Å
304P29.9Very low31.9Very low129 Ų129141.2 Ų141.284%0.83882%0.815SS**  trans-78.8114.8172.731-27.7000107.8
305V28.7Very low31.5Very low139 Ų139141.5 Ų141.584%0.84282%0.818SS**  trans-89.9126.7164.8179.80000107.6S303S303-V305 PolarHBondContact O-N 2.93Å
306A28.2Very low31.6Very low87 Ų87147.2 Ų147.272%0.71983%0.825SS**  trans-55.9140.6-174.200000112.8E308A306-E308 PolarHBondContact O-N 2.86Å
307T31.3Very low31.7Very low143 Ų143145.4 Ų145.488%0.87782%0.824SS**  trans-64.1110.3161.640.90000109.9
308E26.2Very low31.8Very low187 Ų187142.2 Ų142.287%0.87482%0.819SS**  trans-109.8111.6150.5-87.6-172.9162.300108.4A306A306-E308 PolarHBondContact O-N 2.86Å
309S32.7Very low31.9Very low110 Ų110142.7 Ų142.777%0.76982%0.816SS**  trans-69117.8165.949.40000108.9
310D27.1Very low32.4Very low157 Ų157145 Ų14584%0.8482%0.824SS**  trans-128.1120.7158.5-128-6.1000110.1C312D310-C312 PolarHBondContact O-N 2.53Å
311H36.5Very low32.7Very low171 Ų171143.5 Ų143.579%0.79282%0.822SS**  trans-68.4120.9178.8-76.5-73.1000109.7
312C29.3Very low33.3Very low129 Ų129143 Ų14387%0.87282%0.818SS**  trans-117.5120.4165-84.90000111.7D310D310-C312 PolarHBondContact O-N 2.53Å
313H35.8Very low34.1Very low180 Ų180139.9 Ų139.983%0.83381%0.812SS**  trans-61.4156.7-179.4-78.8-86.9000114G315H313-G315 PolarHBondContact O-N 2.87Å
314R43.5Very low35.5Very low259 Ų259137.2 Ų137.298%0.97780%0.801SS**  trans-31.2115.4166-75178.1175.7-175.3-1.6113.1
315G32.1Very low38Very low67 Ų67136.4 Ų136.469%0.69180%0.799SS**  trans-163.7105.6168.700000110.9H313H313-G315 PolarHBondContact O-N 2.87Å
316R34.1Very low41Very low248 Ų248133.9 Ų133.994%0.93679%0.787SS**  trans11106.5165.5-71.6175.2175173.1-2.4116.3A318R316-A318 PolarHBondContact O-N 2.9Å; R316-A318 VanDerWaalsContact O-N 3.12Å
317C33.7Very low44.2Very low125 Ų125131.7 Ų131.785%0.84576%0.761SS**  trans-60.5114.5156.6-61.90000107.8D319C317-D319 PolarHBondContact O-N 2.82Å
318A32Very low47.3Very low84 Ų84129 Ų12969%0.69475%0.745SS**  trans-66.1115.9167.500000108R316 S320R316-A318 PolarHBondContact O-N 2.9Å; R316-A318 VanDerWaalsContact O-N 3.12Å; A318-S320 PolarHBondContact O-N 2.99Å; A318-S320 PolarHBondContact O-OG 3.4Å
319D37.4Very low50.6Low166 Ų166120.5 Ų120.589%0.88871%0.707SS**  trans-53111.5166.2-71.4-44.8000108.5C317C317-D319 PolarHBondContact O-N 2.82Å
320S39.4Very low53.7Low106 Ų106119.3 Ų119.374%0.74170%0.695SS**  trans-81.8154.3172.3-56.70000109A318A318-S320 PolarHBondContact O-N 2.99Å; A318-S320 PolarHBondContact O-OG 3.4Å
321P39.6Very low56.9Low121 Ų121111.9 Ų111.979%0.78666%0.655SS**  trans-70149-138.523.5-30000114.4
322S42.2Very low59.5Low104 Ų104105 Ų10573%0.72763%0.628SS**  trans-20.1131.8174.247.60000115.8G324S322-G324 PolarHBondContact O-N 3.39Å
323P48.7Very low62.6Low123 Ų123105.2 Ų105.280%0.79962%0.616SS**  trans-60.3126.1173.525.9-31.3000108.6S325P323-S325 PolarHBondContact O-N 3.46Å
324G58.3Low65.4Low47 Ų4796.8 Ų96.849%0.48558%0.578SS.*  trans-49.9140.415900000108.1S322 S326S322-G324 PolarHBondContact O-N 3.39Å; G324-S326 PolarHBondContact O-N 2.89Å
325S81.1Confident68Low112 Ų11289.4 Ų89.478%0.78356%0.557SS**  trans-54.5109.5-175.852.60000110.1P323P323-S325 PolarHBondContact O-N 3.46Å
326S92.3Very high71.1Confident85 Ų8586.2 Ų86.259%0.59452%0.524SS*.  trans-69.7147.8174.956.70000109.9G324 F338G324-S326 PolarHBondContact O-N 2.89Å; S326-F338 CarbonylContact C-O 3.55Å; S326-F338 VanDerWaalsContact CA-O 3.23Å; S326-F338 WeakPolarHBondContact CA-O 3.27Å
327F96Very high74.1Confident41 Ų4176.5 Ų76.518%0.1849%0.49CS..EExtended strand (participates in β ladder)trans-134.2159.5175.467.8-83000110.1F338 L340 A374 A403 C406F327-F338 HydrophobicContact CD1-CB 4Å; F327-F338 HydrophobicContact CD2-CB 4.12Å; F327-F338 HydrophobicContact CE1-CB 3.45Å; F327-F338 VanDerWaalsContact CE1-CB 3.45Å; F327-F338 HydrophobicContact CE2-CB 3.61Å; F327-F338 AromaticContact CE2-CD2 3.96Å; F327-F338 HydrophobicContact CE2-CD2 3.96Å; F327-F338 HydrophobicContact CE2-CG 4.05Å; F327-F338 HydrophobicContact CG-CB 4.3Å; F327-F338 HydrophobicContact CZ-CB 3.26Å; F327-F338 HydrophobicContact CZ-CD2 4.3Å; F327-F338 AromaticContact CZ-CG 3.93Å; F327-F338 HydrophobicContact CZ-CG 3.93Å; F327-F338 PolarHBondContact N-O 3.35Å; F327-F338 PolarHBondContact O-N 3.14Å; F327-L340 HydrophobicContact CD1-CG 4.44Å; F327-L340 HydrophobicContact CE1-CD2 3.53Å; F327-L340 HydrophobicContact CE1-CG 3.7Å; F327-L340 HydrophobicContact CZ-CD2 3.82Å; F327-L340 HydrophobicContact CZ-CG 4.47Å; F327-A374 HydrophobicContact CZ-CB 4.23Å; F327-A403 HydrophobicContact CD1-CB 4.25Å; F327-A403 HydrophobicContact CD2-CB 4.04Å; F327-A403 HydrophobicContact CE1-CB 4.05Å; F327-A403 HydrophobicContact CE2-CB 3.82Å; F327-A403 WeakPolarHBondContact CE2-O 3.49Å; F327-A403 HydrophobicContact CG-CB 4.24Å; F327-A403 HydrophobicContact CZ-CB 3.81Å; F327-C406 HydrophobicContact CE2-CB 4.34Å; F327-C406 HydrophobicContact CZ-CB 4.17Å
328T96.3Very high77.2Confident88 Ų8870.5 Ų70.554%0.5445%0.45SS..EExtended strand (participates in β ladder)trans-97.1142.7175.250.60000110.4Y336 N337T328-Y336 WeakPolarHBondContact CA-O 3.44Å; T328-N337 WeakPolarHBondContact CG2-OD1 3.45Å
329G95.6Very high80.4Confident8 Ų867 Ų678%0.08242%0.42CS..EExtended strand (participates in β ladder)trans-151.2152.8178.400000111.4Y336G329-Y336 PolarHBondContact N-O 2.88Å; G329-Y336 PolarHBondContact O-N 2.95Å
330T96.3Very high83.2Confident84 Ų8461 Ų6152%0.51539%0.387SS..EExtended strand (participates in β ladder)trans-92.2125.9-179.8-54.20000110.4D334T330-D334 CarbonylContact C-O 3.35Å; T330-D334 VanDerWaalsContact CA-O 3.28Å; T330-D334 WeakPolarHBondContact CA-O 2.92Å
331M95.6Very high86Confident1 Ų156.1 Ų56.11%0.00535%0.353CS..EExtended strand (participates in β ladder)trans-133.9125.7173.5-177.6169.36100108.9P225 L226 H333 D334 Y336 F338 A394 V396P225-M331 HydrophobicContact CG-CG 3.82Å; P225-M331 HydrophobicContact CG-SD 3.42Å; P225-M331 WeakPolarHBondContact CG-SD 3.4Å; L226-M331 HydrophobicContact CD1-CE 4.01Å; L226-M331 HydrophobicContact CD1-CG 4.39Å; L226-M331 HydrophobicContact CD1-SD 4.4Å; L226-M331 HydrophobicContact CD2-CE 4.2Å; L226-M331 HydrophobicContact CD2-SD 4.19Å; L226-M331 HydrophobicContact CG-CE 4.4Å; L226-M331 HydrophobicContact CG-CG 4.5Å; L226-M331 HydrophobicContact CG-SD 4.26Å; M331-H333 VanDerWaalsContact C-N 3.28Å; M331-H333 PolarHBondContact O-N 3.22Å; M331-D334 PolarHBondContact N-O 2.78Å; M331-D334 PolarHBondContact O-N 2.85Å; M331-Y336 HydrophobicContact CB-CD2 3.71Å; M331-Y336 HydrophobicContact CB-CE2 3.83Å; M331-Y336 HydrophobicContact CB-CG 4.36Å; M331-Y336 HydrophobicContact CE-CD1 3.47Å; M331-Y336 VanDerWaalsContact CE-CD1 3.47Å; M331-Y336 HydrophobicContact CE-CD2 3.91Å; M331-Y336 HydrophobicContact CE-CE1 3.16Å; M331-Y336 HydrophobicContact CE-CE2 3.61Å; M331-Y336 HydrophobicContact CE-CG 3.86Å; M331-Y336 HydrophobicContact CG-CE2 4.41Å; M331-Y336 WeakPolarHBondContact O-CE2 3.43Å; M331-F338 HydrophobicContact CB-CZ 4.29Å; M331-F338 HydrophobicContact CE-CZ 4.19Å; M331-F338 HydrophobicContact SD-CZ 4.35Å; M331-A394 HydrophobicContact CE-CB 4.25Å; M331-V396 HydrophobicContact SD-CG1 3.78Å
332A91.3Very high88.4Confident27 Ų2754.8 Ų54.822%0.22334%0.339CS..THydrogen-bonded Turntrans49.247.2-174.800000112.8L226 D334 H382L226-A332 HydrophobicContact CD1-CB 4.41Å; A332-D334 PolarHBondContact O-N 2.87Å; A332-D334 VanDerWaalsContact O-N 3.08Å; A332-H382 PolarHBondContact O-CE1 3.14Å
333H92.9Very high90.8Very high133 Ų13355.5 Ų55.562%0.61633%0.331SS*.THydrogen-bonded Turntrans68.1-7.1-177.2-52-76.6000116.8M331 N383M331-H333 VanDerWaalsContact C-N 3.28Å; M331-H333 PolarHBondContact O-N 3.22Å; H333-N383 WeakPolarHBondContact O-CB 3.26Å; H333-N383 PolarHBondContact O-ND2 3.1Å
334D96.1Very high92.8Very high4 Ų454 Ų542%0.02132%0.32CS..EExtended strand (participates in β ladder)trans-97.2149.6-179.2-57.6-36.5000111.3T330 M331 A332 Y336 F378 H382 N383T330-D334 CarbonylContact C-O 3.35Å; T330-D334 VanDerWaalsContact CA-O 3.28Å; T330-D334 WeakPolarHBondContact CA-O 2.92Å; M331-D334 PolarHBondContact N-O 2.78Å; M331-D334 PolarHBondContact O-N 2.85Å; A332-D334 PolarHBondContact O-N 2.87Å; A332-D334 VanDerWaalsContact O-N 3.08Å; D334-Y336 HydrophobicContact CB-CD2 4.11Å; D334-Y336 HydrophobicContact CB-CE2 3.71Å; D334-F378 HydrophobicContact CB-CD1 4.11Å; D334-F378 HydrophobicContact CB-CD2 4.3Å; D334-F378 HydrophobicContact CB-CE1 3.79Å; D334-F378 HydrophobicContact CB-CE2 4Å; D334-F378 HydrophobicContact CB-CG 4.36Å; D334-F378 HydrophobicContact CB-CZ 3.74Å; D334-H382 VanDerWaalsContact CG-ND1 3.34Å; D334-H382 VanDerWaalsContact OD1-CA 3.27Å; D334-H382 WeakPolarHBondContact OD1-CA 3.05Å; D334-H382 IonicContact OD1-CE1 3.79Å; D334-H382 IonicContact OD1-CG 3.5Å; D334-H382 IonicContact OD1-ND1 3.99Å; D334-H382 PolarHBondContact OD1-ND1 3.39Å; D334-H382 VanDerWaalsContact OD1-ND1 3.13Å; D334-H382 IonicContact OD2-CE1 3.84Å; D334-H382 IonicContact OD2-CG 2.59Å; D334-H382 IonicContact OD2-ND1 3.77Å; D334-H382 PolarHBondContact OD2-ND1 2.93Å; D334-N383 PolarHBondContact OD1-N 2.89Å
335L96.4Very high94.6Very high103 Ų10357.1 Ų57.154%0.53932%0.322SS..EExtended strand (participates in β ladder)trans-93.2103.5-179.3-169.767.8000110.1F378L335-F378 WeakPolarHBondContact O-CD2 3.2Å
336Y97.9Very high95.3Very high1 Ų153.1 Ų53.10%0.00430%0.298CS..EExtended strand (participates in β ladder)trans-92.1148.7-179.8-79.5-111.3000111.3L226 T328 G329 M331 D334 F338 F378 V392L226-Y336 WeakPolarHBondContact CD1-OH 3.46Å; T328-Y336 WeakPolarHBondContact CA-O 3.44Å; G329-Y336 PolarHBondContact N-O 2.88Å; G329-Y336 PolarHBondContact O-N 2.95Å; M331-Y336 HydrophobicContact CB-CD2 3.71Å; M331-Y336 HydrophobicContact CB-CE2 3.83Å; M331-Y336 HydrophobicContact CB-CG 4.36Å; M331-Y336 HydrophobicContact CE-CD1 3.47Å; M331-Y336 VanDerWaalsContact CE-CD1 3.47Å; M331-Y336 HydrophobicContact CE-CD2 3.91Å; M331-Y336 HydrophobicContact CE-CE1 3.16Å; M331-Y336 HydrophobicContact CE-CE2 3.61Å; M331-Y336 HydrophobicContact CE-CG 3.86Å; M331-Y336 HydrophobicContact CG-CE2 4.41Å; M331-Y336 WeakPolarHBondContact O-CE2 3.43Å; D334-Y336 HydrophobicContact CB-CD2 4.11Å; D334-Y336 HydrophobicContact CB-CE2 3.71Å; Y336-F338 HydrophobicContact CD1-CZ 4.45Å; Y336-F338 HydrophobicContact CG-CE2 4.28Å; Y336-F338 HydrophobicContact CG-CZ 4.11Å; Y336-F378 HydrophobicContact CD1-CB 3.42Å; Y336-F378 VanDerWaalsContact CD1-CB 3.42Å; Y336-F378 HydrophobicContact CD2-CB 3.92Å; Y336-F378 HydrophobicContact CD2-CG 4.29Å; Y336-F378 HydrophobicContact CE1-CB 3.2Å; Y336-F378 HydrophobicContact CE1-CG 4.27Å; Y336-F378 HydrophobicContact CE2-CB 3.75Å; Y336-F378 HydrophobicContact CE2-CD1 4.21Å; Y336-F378 AromaticContact CE2-CG 4Å; Y336-F378 HydrophobicContact CE2-CG 4Å; Y336-F378 HydrophobicContact CG-CB 3.75Å; Y336-F378 AromaticContact CZ-CG 3.93Å; Y336-V392 HydrophobicContact CE1-CB 3.91Å; Y336-V392 HydrophobicContact CE1-CG1 3.95Å; Y336-V392 VanDerWaalsContact OH-CB 3.28Å; Y336-V392 WeakPolarHBondContact OH-CB 3.01Å; Y336-V392 WeakPolarHBondContact OH-CG1 3.48Å; Y336-V392 WeakPolarHBondContact OH-CG2 3.49Å
337N98.1Very high95.5Very high43 Ų4354.3 Ų54.323%0.2330%0.298CS..EExtended strand (participates in β ladder)trans-89127161.7-68.3-34.7000109T328 V350 C351 G376 A377T328-N337 WeakPolarHBondContact CG2-OD1 3.45Å; N337-V350 HydrophobicContact CB-CG2 3.89Å; N337-V350 VanDerWaalsContact O-CG2 3.29Å; N337-V350 WeakPolarHBondContact O-CG2 3.11Å; N337-C351 PolarHBondContact ND2-O 2.94Å; N337-G376 CarbonylContact O-C 3.45Å; N337-G376 VanDerWaalsContact O-CA 3.29Å; N337-G376 WeakPolarHBondContact O-CA 3.36Å; N337-A377 PolarHBondContact N-O 3.26Å; N337-A377 VanDerWaalsContact N-O 3.1Å; N337-A377 PolarHBondContact O-N 3.41Å
338F98.4Very high95.6Very high0 Ų053.9 Ų53.90%030%0.297CS..EExtended strand (participates in β ladder)trans-119.8153.9-177.6-74.1-75000112.8S326 F327 M331 Y336 A374 L375 V396S326-F338 CarbonylContact C-O 3.55Å; S326-F338 VanDerWaalsContact CA-O 3.23Å; S326-F338 WeakPolarHBondContact CA-O 3.27Å; F327-F338 HydrophobicContact CD1-CB 4Å; F327-F338 HydrophobicContact CD2-CB 4.12Å; F327-F338 HydrophobicContact CE1-CB 3.45Å; F327-F338 VanDerWaalsContact CE1-CB 3.45Å; F327-F338 HydrophobicContact CE2-CB 3.61Å; F327-F338 AromaticContact CE2-CD2 3.96Å; F327-F338 HydrophobicContact CE2-CD2 3.96Å; F327-F338 HydrophobicContact CE2-CG 4.05Å; F327-F338 HydrophobicContact CG-CB 4.3Å; F327-F338 HydrophobicContact CZ-CB 3.26Å; F327-F338 HydrophobicContact CZ-CD2 4.3Å; F327-F338 AromaticContact CZ-CG 3.93Å; F327-F338 HydrophobicContact CZ-CG 3.93Å; F327-F338 PolarHBondContact N-O 3.35Å; F327-F338 PolarHBondContact O-N 3.14Å; M331-F338 HydrophobicContact CB-CZ 4.29Å; M331-F338 HydrophobicContact CE-CZ 4.19Å; M331-F338 HydrophobicContact SD-CZ 4.35Å; Y336-F338 HydrophobicContact CD1-CZ 4.45Å; Y336-F338 HydrophobicContact CG-CE2 4.28Å; Y336-F338 HydrophobicContact CG-CZ 4.11Å; F338-A374 HydrophobicContact CB-CB 4.25Å; F338-A374 HydrophobicContact CD1-CB 3.7Å; F338-A374 HydrophobicContact CE1-CB 4.43Å; F338-A374 HydrophobicContact CG-CB 4.26Å; F338-L375 CarbonylContact C-O 3.49Å; F338-L375 VanDerWaalsContact CA-O 3.23Å; F338-L375 WeakPolarHBondContact CA-O 3.47Å; F338-V396 HydrophobicContact CE1-CG2 3.87Å; F338-V396 HydrophobicContact CZ-CG2 4.5Å
339V98Very high95.6Very high9 Ų957 Ų576%0.05530%0.299CS..EExtended strand (participates in β ladder)trans-134.3137.4164.583.50000110L348 V350 A374 L375V339-L348 HydrophobicContact CG1-CB 4.07Å; V339-L348 HydrophobicContact CG1-CD1 4.1Å; V339-L348 HydrophobicContact CG1-CD2 4.43Å; V339-L348 HydrophobicContact CG1-CG 4.43Å; V339-V350 HydrophobicContact CG1-CB 4.4Å; V339-A374 CarbonylContact O-C 3.54Å; V339-A374 VanDerWaalsContact O-CA 3.31Å; V339-A374 WeakPolarHBondContact O-CA 3.48Å; V339-L375 HydrophobicContact CG1-CB 4.21Å; V339-L375 PolarHBondContact N-O 3.29Å; V339-L375 PolarHBondContact O-N 2.98Å
340L97.3Very high95.7Very high40 Ų4057 Ų5721%0.20930%0.298CS..EExtended strand (participates in β ladder)trans-77.8145.7-176.2-63.2178.5000112.5F327 N342 L372 A374 A403F327-L340 HydrophobicContact CD1-CG 4.44Å; F327-L340 HydrophobicContact CE1-CD2 3.53Å; F327-L340 HydrophobicContact CE1-CG 3.7Å; F327-L340 HydrophobicContact CZ-CD2 3.82Å; F327-L340 HydrophobicContact CZ-CG 4.47Å; L340-N342 WeakPolarHBondContact CB-OD1 3.19Å; L340-N342 PolarHBondContact O-N 3.48Å; L340-L372 HydrophobicContact CD1-CD1 4.41Å; L340-L372 HydrophobicContact CD2-CD1 4.09Å; L340-L372 HydrophobicContact CD2-CD2 3.96Å; L340-L372 HydrophobicContact CD2-CG 4.07Å; L340-A374 HydrophobicContact CD2-CB 4.15Å; L340-A403 HydrophobicContact CD1-CB 4.4Å; L340-A403 HydrophobicContact CD2-CB 4.37Å
341L96.7Very high95.8Very high4 Ų454.6 Ų54.62%0.02128%0.284CS..  trans-8976.4172.9-77.964.5000109.9L348 L359 Y361 W363 Y373 L375 V395 M417L341-L348 HydrophobicContact CB-CD1 4.45Å; L341-L348 HydrophobicContact CD1-CD1 3.58Å; L341-L348 HydrophobicContact CG-CD1 3.64Å; L341-L359 HydrophobicContact CD1-CD2 4.14Å; L341-L359 HydrophobicContact CD2-CD2 3.84Å; L341-L359 HydrophobicContact CG-CD2 4.19Å; L341-Y361 HydrophobicContact CB-CE1 4.43Å; L341-Y361 HydrophobicContact CB-CE2 4.12Å; L341-Y361 HydrophobicContact CD2-CD1 4.24Å; L341-Y361 HydrophobicContact CD2-CD2 4Å; L341-Y361 HydrophobicContact CD2-CE1 4.33Å; L341-Y361 HydrophobicContact CD2-CE2 4.11Å; L341-Y361 HydrophobicContact CD2-CG 4.07Å; L341-Y361 HydrophobicContact CG-CD1 4.26Å; L341-Y361 HydrophobicContact CG-CD2 4.48Å; L341-Y361 HydrophobicContact CG-CE1 3.91Å; L341-Y361 HydrophobicContact CG-CE2 4.17Å; L341-W363 HydrophobicContact CB-CZ2 4.03Å; L341-W363 HydrophobicContact CD2-CH2 4.24Å; L341-W363 HydrophobicContact CD2-CZ2 3.74Å; L341-Y373 PolarHBondContact N-O 2.86Å; L341-L375 HydrophobicContact CD1-CB 4.17Å; L341-V395 HydrophobicContact CD2-CG1 4.19Å; L341-M417 HydrophobicContact CD2-CE 4.48Å; L341-M417 HydrophobicContact CD2-SD 3.76Å
342N90.1Very high95.8Very high93 Ų9355.8 Ų55.850%0.49729%0.29SS..  trans-80.6-21.9-174.3-72.9-15.6000114.6L340 K368L340-N342 WeakPolarHBondContact CB-OD1 3.19Å; L340-N342 PolarHBondContact O-N 3.48Å; N342-K368 VanDerWaalsContact O-CE 3.24Å; N342-K368 WeakPolarHBondContact O-CE 3.5Å; N342-K368 PolarHBondContact O-NZ 2.82Å
343E92.4Very high95.8Very high120 Ų12059.7 Ų59.756%0.56132%0.316SS*.SBendtrans-97.7166.9-172.5-63.6-56.515300112.3Q345 Y361 W363E343-Q345 VanDerWaalsContact C-N 3.26Å; E343-Q345 VanDerWaalsContact CB-O 3.3Å; E343-Q345 WeakPolarHBondContact CB-O 3.29Å; E343-Y361 PolarHBondContact N-OH 3.01Å; E343-Y361 PolarHBondContact O-OH 2.77Å; E343-W363 PolarHBondContact O-NE1 3.14Å
344T91.6Very high95.8Very high92 Ų9259 Ų5956%0.56432%0.321SS*.SBendtrans-70.3-26.3175.450.50000112.5W363T344-W363 VanDerWaalsContact O-CD1 3.26Å; T344-W363 PolarHBondContact O-N 2.98Å
345Q95.9Very high95.9Very high112 Ų11259 Ų5952%0.52332%0.321SS..EExtended strand (participates in β ladder)trans-152.7155.7172.761.5179.139.700108.2E343 Y361 K362E343-Q345 VanDerWaalsContact C-N 3.26Å; E343-Q345 VanDerWaalsContact CB-O 3.3Å; E343-Q345 WeakPolarHBondContact CB-O 3.29Å; Q345-Y361 CarbonylContact C-O 3.5Å; Q345-Y361 WeakPolarHBondContact CA-O 3.45Å; Q345-Y361 WeakPolarHBondContact CB-O 3.35Å; Q345-K362 HydrophobicContact CB-CB 4.1Å; Q345-K362 HydrophobicContact CB-CG 4.16Å
346G95.3Very high96Very high27 Ų2755 Ų5528%0.27830%0.301SS..EExtended strand (participates in β ladder)trans-173.5169.1178.700000114.3Q360 Y361G346-Q360 WeakPolarHBondContact O-CA 3.5Å; G346-Y361 PolarHBondContact N-O 2.89Å; G346-Y361 WeakPolarHBondContact O-CD1 3.12Å; G346-Y361 PolarHBondContact O-N 3.42Å
347N97.3Very high96Very high111 Ų11154.9 Ų54.959%0.59430%0.301SS*.EExtended strand (participates in β ladder)trans-118.7113168.9-173.4-3000107.6L359 Q360N347-L359 CarbonylContact C-O 3.55Å; N347-L359 WeakPolarHBondContact CA-O 3.25Å; N347-Q360 HydrophobicContact CB-CG 4.48Å
348L97.2Very high96Very high31 Ų3155.6 Ų55.616%0.16230%0.303CS..EExtended strand (participates in β ladder)trans-114.5147.2-174.3-61176.1000110.3V339 L341 H358 L359 Y361 L375V339-L348 HydrophobicContact CG1-CB 4.07Å; V339-L348 HydrophobicContact CG1-CD1 4.1Å; V339-L348 HydrophobicContact CG1-CD2 4.43Å; V339-L348 HydrophobicContact CG1-CG 4.43Å; L341-L348 HydrophobicContact CB-CD1 4.45Å; L341-L348 HydrophobicContact CD1-CD1 3.58Å; L341-L348 HydrophobicContact CG-CD1 3.64Å; L348-H358 WeakPolarHBondContact O-CA 3.29Å; L348-L359 HydrophobicContact CB-CB 4.46Å; L348-L359 HydrophobicContact CD1-CD2 4.49Å; L348-L359 PolarHBondContact N-O 2.85Å; L348-L359 PolarHBondContact O-N 2.82Å; L348-Y361 HydrophobicContact CD1-CD1 4.23Å; L348-Y361 HydrophobicContact CD1-CE1 3.57Å; L348-Y361 HydrophobicContact CG-CD1 4.48Å; L348-Y361 HydrophobicContact CG-CE1 3.86Å; L348-L375 HydrophobicContact CB-CD2 4.07Å
349R97.5Very high96Very high154 Ų15455.6 Ų55.658%0.58130%0.303SS*.EExtended strand (participates in β ladder)trans-134.1133.3172.9-175.7-179.2-178.6-115.24.1109.5C356 C357 H358R349-C356 PolarHBondContact NH2-SG 3.12Å; R349-C357 VanDerWaalsContact CA-O 3.27Å; R349-C357 WeakPolarHBondContact CA-O 3.38Å; R349-H358 WeakPolarHBondContact CD-CE1 3.41Å; R349-H358 PolarHBondContact NE-CE1 2.02Å
350V97.8Very high96Very high8 Ų859.6 Ų59.65%0.04832%0.321CS..EExtended strand (participates in β ladder)trans-138.4143.1171.1670000108.8N337 V339 C356 C357 L375 A377N337-V350 HydrophobicContact CB-CG2 3.89Å; N337-V350 VanDerWaalsContact O-CG2 3.29Å; N337-V350 WeakPolarHBondContact O-CG2 3.11Å; V339-V350 HydrophobicContact CG1-CB 4.4Å; V350-C356 WeakPolarHBondContact O-CA 3.49Å; V350-C357 HydrophobicContact CG1-CB 3.84Å; V350-C357 PolarHBondContact N-O 3.43Å; V350-C357 PolarHBondContact O-N 3.41Å; V350-L375 HydrophobicContact CG1-CB 4.49Å; V350-L375 HydrophobicContact CG1-CD2 3.76Å; V350-L375 HydrophobicContact CG1-CG 3.67Å; V350-A377 HydrophobicContact CG1-CB 3.87Å
351C97.4Very high96.1Very high34 Ų3458.2 Ų58.223%0.2331%0.313CS..EExtended strand (participates in β ladder)trans-129.5148.2-177.8-55.40000110.7N337 F355 C356N337-C351 PolarHBondContact ND2-O 2.94Å; C351-F355 CarbonylContact C-O 3.54Å; C351-F355 WeakPolarHBondContact CA-O 3.28Å; C351-F355 WeakPolarHBondContact CB-O 3.34Å; C351-C356 HydrophobicContact CB-CB 4.1Å; C351-C356 WeakPolarHBondContact CB-SG 3.33Å; C351-C356 WeakPolarHBondContact SG-CB 3.26Å; C351-C356 CovalentContact SG-SG 2.04Å; C351-C356 PolarHBondContact SG-SG 2.93Å
352D96.2Very high96.1Very high26 Ų2663.4 Ų63.414%0.13934%0.335CS..EExtended strand (participates in β ladder)trans-117111160.9-176.112.9000108.1T354 F355 A377 F378 A379D352-T354 PolarHBondContact O-N 2.92Å; D352-F355 PolarHBondContact N-O 2.98Å; D352-F355 PolarHBondContact O-N 2.75Å; D352-A377 HydrophobicContact CB-CB 4.45Å; D352-F378 WeakPolarHBondContact OD2-CA 3.47Å; D352-A379 PolarHBondContact OD2-N 2.86Å
353S91.3Very high96.4Very high108 Ų10860.1 Ų60.176%0.75532%0.316SS*.THydrogen-bonded Turntrans52.8-110.4-170.3-56.30000112.1
354T93.1Very high96.3Very high119 Ų11957.7 Ų57.773%0.7331%0.309SS*.THydrogen-bonded Turntrans-95.7-12.4-179.555.20000113.6D352D352-T354 PolarHBondContact O-N 2.92Å
355F97.6Very high96.3Very high3 Ų355.4 Ų55.41%0.01330%0.3CS..EExtended strand (participates in β ladder)trans-87.8123.9179.7178.1-106.2000109.8C351 D352 A377 A379 Q391 V392 C393 A423 F425C351-F355 CarbonylContact C-O 3.54Å; C351-F355 WeakPolarHBondContact CA-O 3.28Å; C351-F355 WeakPolarHBondContact CB-O 3.34Å; D352-F355 PolarHBondContact N-O 2.98Å; D352-F355 PolarHBondContact O-N 2.75Å; F355-A377 HydrophobicContact CD1-CB 4.38Å; F355-A379 HydrophobicContact CB-CB 3.52Å; F355-A379 HydrophobicContact CD1-CB 4.05Å; F355-A379 HydrophobicContact CG-CB 3.97Å; F355-Q391 HydrophobicContact CD2-CB 4.1Å; F355-Q391 HydrophobicContact CD2-CG 4.13Å; F355-Q391 HydrophobicContact CE1-CB 4.29Å; F355-Q391 HydrophobicContact CE2-CB 3.84Å; F355-Q391 HydrophobicContact CE2-CG 4.37Å; F355-Q391 HydrophobicContact CG-CB 4.43Å; F355-Q391 HydrophobicContact CG-CG 4.35Å; F355-Q391 HydrophobicContact CZ-CB 3.94Å; F355-V392 WeakPolarHBondContact CE1-O 3.28Å; F355-C393 HydrophobicContact CE1-CB 4.47Å; F355-C393 HydrophobicContact CZ-CB 4.25Å; F355-A423 HydrophobicContact CE2-CB 3.84Å; F355-A423 HydrophobicContact CZ-CB 3.76Å; F355-F425 AromaticContact CE2-CD1 3.83Å; F355-F425 HydrophobicContact CE2-CD1 3.83Å; F355-F425 AromaticContact CE2-CE1 3.83Å; F355-F425 HydrophobicContact CE2-CE1 3.83Å; F355-F425 HydrophobicContact CE2-CG 4.24Å; F355-F425 HydrophobicContact CE2-CZ 4.24Å; F355-F425 HydrophobicContact CZ-CD1 4.15Å; F355-F425 AromaticContact CZ-CE1 3.67Å; F355-F425 HydrophobicContact CZ-CE1 3.67Å; F355-F425 AromaticContact CZ-CZ 3.95Å; F355-F425 HydrophobicContact CZ-CZ 3.95Å
356C97.9Very high96.1Very high19 Ų1952.5 Ų52.513%0.12829%0.286CS..EExtended strand (participates in β ladder)trans-126.3134.9-175.3-65.80000112.2R349 V350 C351 A423R349-C356 PolarHBondContact NH2-SG 3.12Å; V350-C356 WeakPolarHBondContact O-CA 3.49Å; C351-C356 HydrophobicContact CB-CB 4.1Å; C351-C356 WeakPolarHBondContact CB-SG 3.33Å; C351-C356 WeakPolarHBondContact SG-CB 3.26Å; C351-C356 CovalentContact SG-SG 2.04Å; C351-C356 PolarHBondContact SG-SG 2.93Å; C356-A423 WeakPolarHBondContact O-CB 2.98Å
357C98.6Very high95.8Very high0 Ų054.4 Ų54.40%029%0.29CS..EExtended strand (participates in β ladder)trans-100.5135.8174.8-81.90000111.2R349 V350 L375 A377 C393R349-C357 VanDerWaalsContact CA-O 3.27Å; R349-C357 WeakPolarHBondContact CA-O 3.38Å; V350-C357 HydrophobicContact CG1-CB 3.84Å; V350-C357 PolarHBondContact N-O 3.43Å; V350-C357 PolarHBondContact O-N 3.41Å; C357-L375 HydrophobicContact CB-CD1 4.23Å; C357-L375 HydrophobicContact CB-CD2 4.23Å; C357-L375 HydrophobicContact CB-CG 4.34Å; C357-A377 HydrophobicContact CB-CB 4.09Å; C357-C393 WeakPolarHBondContact CA-SG 3.47Å; C357-C393 HydrophobicContact CB-CB 4.31Å; C357-C393 WeakPolarHBondContact CB-SG 3.11Å; C357-C393 WeakPolarHBondContact SG-CA 3.48Å; C357-C393 WeakPolarHBondContact SG-CB 3.39Å; C357-C393 CovalentContact SG-SG 2.02Å; C357-C393 PolarHBondContact SG-SG 3.18Å
358H98.4Very high95.3Very high58 Ų5854 Ų5427%0.26928%0.283SS..EExtended strand (participates in β ladder)trans-124133.8176.3-62.2-99.7000109.7L348 R349 E422L348-H358 WeakPolarHBondContact O-CA 3.29Å; R349-H358 WeakPolarHBondContact CD-CE1 3.41Å; R349-H358 PolarHBondContact NE-CE1 2.02Å; H358-E422 HydrophobicContact CB-CG 3.65Å; H358-E422 PolarHBondContact N-O 2.72Å; H358-E422 PolarHBondContact O-N 2.94Å
359L98.6Very high95Very high0 Ų056.6 Ų56.60%030%0.304CS..EExtended strand (participates in β ladder)trans-132.1120.8178.4177.868.7000109.9L341 N347 L348 Y361 L375 V395 F419 L420 L421L341-L359 HydrophobicContact CD1-CD2 4.14Å; L341-L359 HydrophobicContact CD2-CD2 3.84Å; L341-L359 HydrophobicContact CG-CD2 4.19Å; N347-L359 CarbonylContact C-O 3.55Å; N347-L359 WeakPolarHBondContact CA-O 3.25Å; L348-L359 HydrophobicContact CB-CB 4.46Å; L348-L359 HydrophobicContact CD1-CD2 4.49Å; L348-L359 PolarHBondContact N-O 2.85Å; L348-L359 PolarHBondContact O-N 2.82Å; L359-Y361 HydrophobicContact CD2-CD1 3.92Å; L359-Y361 HydrophobicContact CD2-CG 4.28Å; L359-Y361 HydrophobicContact CG-CD1 4.14Å; L359-L375 HydrophobicContact CB-CD1 4.06Å; L359-L375 HydrophobicContact CB-CD2 3.73Å; L359-L375 HydrophobicContact CB-CG 4.37Å; L359-L375 HydrophobicContact CD2-CB 4.31Å; L359-L375 HydrophobicContact CD2-CD1 4.48Å; L359-V395 HydrophobicContact CD1-CG2 3.69Å; L359-V395 HydrophobicContact CD2-CG1 4.46Å; L359-V395 HydrophobicContact CD2-CG2 3.62Å; L359-V395 HydrophobicContact CG-CG2 4.22Å; L359-F419 HydrophobicContact CD1-CB 3.85Å; L359-L420 WeakPolarHBondContact CA-O 3.45Å; L359-L421 HydrophobicContact CB-CD1 4.49Å; L359-L421 HydrophobicContact CD1-CB 4.35Å; L359-L421 HydrophobicContact CD1-CD1 4.27Å
360Q98.4Very high94.7Very high93 Ų9354.7 Ų54.744%0.43530%0.3SS..EExtended strand (participates in β ladder)trans-100.3128.5159.7-57.217619.200107.7G346 N347 F419 L420G346-Q360 WeakPolarHBondContact O-CA 3.5Å; N347-Q360 HydrophobicContact CB-CG 4.48Å; Q360-F419 CarbonylContact O-C 3.56Å; Q360-F419 WeakPolarHBondContact O-CA 3.4Å; Q360-L420 HydrophobicContact CB-CB 4.27Å; Q360-L420 PolarHBondContact N-O 3.42Å; Q360-L420 PolarHBondContact O-N 3.19Å
361Y97.9Very high94.6Very high11 Ų1154.7 Ų54.74%0.04330%0.299CS..EExtended strand (participates in β ladder)trans-142.1157-178.275.3-79.3000113.2L341 E343 Q345 G346 L348 L359 W363 M417 D418L341-Y361 HydrophobicContact CB-CE1 4.43Å; L341-Y361 HydrophobicContact CB-CE2 4.12Å; L341-Y361 HydrophobicContact CD2-CD1 4.24Å; L341-Y361 HydrophobicContact CD2-CD2 4Å; L341-Y361 HydrophobicContact CD2-CE1 4.33Å; L341-Y361 HydrophobicContact CD2-CE2 4.11Å; L341-Y361 HydrophobicContact CD2-CG 4.07Å; L341-Y361 HydrophobicContact CG-CD1 4.26Å; L341-Y361 HydrophobicContact CG-CD2 4.48Å; L341-Y361 HydrophobicContact CG-CE1 3.91Å; L341-Y361 HydrophobicContact CG-CE2 4.17Å; E343-Y361 PolarHBondContact N-OH 3.01Å; E343-Y361 PolarHBondContact O-OH 2.77Å; Q345-Y361 CarbonylContact C-O 3.5Å; Q345-Y361 WeakPolarHBondContact CA-O 3.45Å; Q345-Y361 WeakPolarHBondContact CB-O 3.35Å; G346-Y361 PolarHBondContact N-O 2.89Å; G346-Y361 WeakPolarHBondContact O-CD1 3.12Å; G346-Y361 PolarHBondContact O-N 3.42Å; L348-Y361 HydrophobicContact CD1-CD1 4.23Å; L348-Y361 HydrophobicContact CD1-CE1 3.57Å; L348-Y361 HydrophobicContact CG-CD1 4.48Å; L348-Y361 HydrophobicContact CG-CE1 3.86Å; L359-Y361 HydrophobicContact CD2-CD1 3.92Å; L359-Y361 HydrophobicContact CD2-CG 4.28Å; L359-Y361 HydrophobicContact CG-CD1 4.14Å; Y361-W363 AromaticContact CD2-NE1 3.91Å; Y361-W363 AromaticContact CE2-CD1 3.77Å; Y361-W363 AromaticContact CE2-NE1 3.37Å; Y361-M417 VanDerWaalsContact CB-SD 3.56Å; Y361-M417 HydrophobicContact CD2-CG 4.43Å; Y361-M417 HydrophobicContact CD2-SD 3.84Å; Y361-M417 HydrophobicContact CG-SD 3.96Å; Y361-D418 CarbonylContact C-O 3.51Å; Y361-D418 VanDerWaalsContact CA-O 3.24Å; Y361-D418 WeakPolarHBondContact CA-O 3.34Å
362K97.3Very high94.6Very high113 Ų11354.3 Ų54.349%0.49130%0.295SS..EExtended strand (participates in β ladder)trans-145124.4170.6-179.8178.1179.7-176.20109.6Q345 T364 D418Q345-K362 HydrophobicContact CB-CB 4.1Å; Q345-K362 HydrophobicContact CB-CG 4.16Å; K362-T364 PolarHBondContact O-N 2.84Å; K362-D418 PolarHBondContact N-O 3.17Å; K362-D418 PolarHBondContact O-N 2.65Å
363W96Very high94.6Very high23 Ų2353.1 Ų53.19%0.08729%0.288CS..EExtended strand (participates in β ladder)trans-71.2127.3173.7-64.6111000110.2L341 E343 T344 Y361 H366 Y373 M417L341-W363 HydrophobicContact CB-CZ2 4.03Å; L341-W363 HydrophobicContact CD2-CH2 4.24Å; L341-W363 HydrophobicContact CD2-CZ2 3.74Å; E343-W363 PolarHBondContact O-NE1 3.14Å; T344-W363 VanDerWaalsContact O-CD1 3.26Å; T344-W363 PolarHBondContact O-N 2.98Å; Y361-W363 AromaticContact CD2-NE1 3.91Å; Y361-W363 AromaticContact CE2-CD1 3.77Å; Y361-W363 AromaticContact CE2-NE1 3.37Å; W363-H366 HydrophobicContact CB-CB 3.69Å; W363-H366 AromaticContact CD1-CD2 3.89Å; W363-H366 HydrophobicContact CD2-CB 3.6Å; W363-H366 AromaticContact CD2-CD2 3.97Å; W363-H366 AromaticContact CD2-CG 3.64Å; W363-H366 AromaticContact CE2-CD2 3.87Å; W363-H366 AromaticContact CE2-CG 3.92Å; W363-H366 HydrophobicContact CE3-CB 3.75Å; W363-H366 AromaticContact CE3-CG 3.92Å; W363-H366 HydrophobicContact CG-CB 3.56Å; W363-H366 AromaticContact CG-CG 3.89Å; W363-H366 AromaticContact NE1-CD2 3.73Å; W363-Y373 AromaticContact CH2-CD1 3.83Å; W363-Y373 HydrophobicContact CH2-CD1 3.83Å; W363-Y373 AromaticContact CH2-CD2 3.37Å; W363-Y373 HydrophobicContact CH2-CD2 3.37Å; W363-Y373 HydrophobicContact CH2-CE1 4.17Å; W363-Y373 AromaticContact CH2-CE2 3.78Å; W363-Y373 HydrophobicContact CH2-CE2 3.78Å; W363-Y373 AromaticContact CH2-CG 3.43Å; W363-Y373 HydrophobicContact CH2-CG 3.43Å; W363-Y373 VanDerWaalsContact CH2-CG 3.43Å; W363-Y373 AromaticContact CZ2-CD2 3.95Å; W363-Y373 HydrophobicContact CZ2-CD2 3.95Å; W363-Y373 HydrophobicContact CZ2-CG 4.03Å; W363-Y373 HydrophobicContact CZ3-CD2 4.16Å; W363-Y373 HydrophobicContact CZ3-CE2 4.11Å; W363-Y373 HydrophobicContact CZ3-CG 4.44Å; W363-M417 HydrophobicContact CE3-CB 3.74Å; W363-M417 HydrophobicContact CE3-CG 4.15Å; W363-M417 HydrophobicContact CE3-SD 4.33Å; W363-M417 HydrophobicContact CH2-CB 4.42Å; W363-M417 HydrophobicContact CH2-SD 3.73Å; W363-M417 HydrophobicContact CZ2-SD 4.05Å; W363-M417 HydrophobicContact CZ3-CB 3.66Å; W363-M417 HydrophobicContact CZ3-CG 4.16Å; W363-M417 HydrophobicContact CZ3-SD 3.93Å
364T91.8Very high95Very high69 Ų6948 Ų4842%0.42325%0.252SS..EExtended strand (participates in β ladder)trans-95.3-27170.954.20000111.3K362 K416K362-T364 PolarHBondContact O-N 2.84Å; T364-K416 PolarHBondContact N-O 2.92Å; T364-K416 WeakPolarHBondContact OG1-CB 3.24Å; T364-K416 PolarHBondContact OG1-O 3.46Å
365A90.5Very high95.2Very high45 Ų4542.3 Ų42.337%0.37222%0.217SC..EExtended strand (participates in β ladder)trans-152.1124.3165.400000108.7S415 K416A365-S415 CarbonylContact O-C 3.51Å; A365-S415 VanDerWaalsContact O-CA 3.23Å; A365-S415 WeakPolarHBondContact O-CA 3.18Å; A365-K416 HydrophobicContact CB-CB 4.23Å; A365-K416 HydrophobicContact CB-CD 4.28Å; A365-K416 HydrophobicContact CB-CG 4.25Å; A365-K416 PolarHBondContact N-O 2.75Å; A365-K416 PolarHBondContact O-N 3.28Å
366H92.3Very high95.3Very high51 Ų5142.1 Ų42.124%0.23622%0.217CC..  trans-152.6135.6-179.4178.254.1000111.3W363 K368 E371 S415W363-H366 HydrophobicContact CB-CB 3.69Å; W363-H366 AromaticContact CD1-CD2 3.89Å; W363-H366 HydrophobicContact CD2-CB 3.6Å; W363-H366 AromaticContact CD2-CD2 3.97Å; W363-H366 AromaticContact CD2-CG 3.64Å; W363-H366 AromaticContact CE2-CD2 3.87Å; W363-H366 AromaticContact CE2-CG 3.92Å; W363-H366 HydrophobicContact CE3-CB 3.75Å; W363-H366 AromaticContact CE3-CG 3.92Å; W363-H366 HydrophobicContact CG-CB 3.56Å; W363-H366 AromaticContact CG-CG 3.89Å; W363-H366 AromaticContact NE1-CD2 3.73Å; H366-K368 VanDerWaalsContact CD2-CG 3.42Å; H366-K368 WeakPolarHBondContact CD2-CG 3.2Å; H366-K368 WeakPolarHBondContact NE2-CG 3.38Å; H366-E371 PolarHBondContact CE1-O 3.02Å; H366-E371 VanDerWaalsContact CE1-O 3.25Å; H366-S415 WeakPolarHBondContact ND1-CB 3.48Å; H366-S415 PolarHBondContact ND1-OG 3.15Å
367N89.7Confident95.3Very high67 Ų6741.2 Ų41.236%0.35821%0.211SC..  trans-117.695.2174.1-169.9-4.2000110.5S369 K370 E371N367-S369 PolarHBondContact O-N 3.31Å; N367-S369 VanDerWaalsContact O-N 3.08Å; N367-S369 PolarHBondContact OD1-N 3.03Å; N367-S369 PolarHBondContact OD1-OG 3.41Å; N367-K370 HydrophobicContact CB-CB 4.34Å; N367-K370 PolarHBondContact O-N 2.05Å; N367-E371 PolarHBondContact O-N 3.43Å
368K86.9Confident95.3Very high102 Ų10242.1 Ų42.144%0.44321%0.214SC..THydrogen-bonded Turntrans-57.3-22.4179.8-68.7180-175.2-177.50113.9N342 H366 K370N342-K368 VanDerWaalsContact O-CE 3.24Å; N342-K368 WeakPolarHBondContact O-CE 3.5Å; N342-K368 PolarHBondContact O-NZ 2.82Å; H366-K368 VanDerWaalsContact CD2-CG 3.42Å; H366-K368 WeakPolarHBondContact CD2-CG 3.2Å; H366-K368 WeakPolarHBondContact NE2-CG 3.38Å; K368-K370 VanDerWaalsContact C-N 3.29Å
369S88.9Confident95.3Very high85 Ų8540.7 Ų40.759%0.59421%0.213SC*.THydrogen-bonded Turntrans-82.7-6.317769.70000113.6N367 L401N367-S369 PolarHBondContact O-N 3.31Å; N367-S369 VanDerWaalsContact O-N 3.08Å; N367-S369 PolarHBondContact OD1-N 3.03Å; N367-S369 PolarHBondContact OD1-OG 3.41Å; S369-L401 WeakPolarHBondContact O-CD1 3.33Å
370K92Very high95.2Very high115 Ų11542 Ų4250%0.523%0.227SC..THydrogen-bonded Turntrans-120-35.6179.7-70.4-171.6177.6-172.40113.7N367 K368 E414N367-K370 HydrophobicContact CB-CB 4.34Å; N367-K370 PolarHBondContact O-N 2.05Å; K368-K370 VanDerWaalsContact C-N 3.29Å; K370-E414 IonicContact NZ-OE2 3.13Å
371E95.9Very high95.1Very high7 Ų741.1 Ų41.13%0.03322%0.223CC..  trans-131140.4-173.9-55.7-164.7139.700111.8H366 N367 Y373 R397 A413 E414 S415H366-E371 PolarHBondContact CE1-O 3.02Å; H366-E371 VanDerWaalsContact CE1-O 3.25Å; N367-E371 PolarHBondContact O-N 3.43Å; E371-Y373 HydrophobicContact CB-CD2 4.45Å; E371-Y373 HydrophobicContact CB-CE2 3.78Å; E371-Y373 PolarHBondContact OE2-OH 3.17Å; E371-Y373 VanDerWaalsContact OE2-OH 3.08Å; E371-R397 VanDerWaalsContact CD-NE 3.35Å; E371-R397 IonicContact OE1-CZ 2.65Å; E371-R397 IonicContact OE1-NE 2.84Å; E371-R397 PolarHBondContact OE1-NE 3.19Å; E371-R397 IonicContact OE1-NH2 3.13Å; E371-R397 PolarHBondContact OE1-NH2 3.11Å; E371-A413 WeakPolarHBondContact OE1-CA 3.31Å; E371-E414 PolarHBondContact OE1-N 3.29Å; E371-E414 PolarHBondContact OE2-N 3.18Å; E371-S415 WeakPolarHBondContact OE2-CA 3.33Å; E371-S415 WeakPolarHBondContact OE2-CB 3.07Å; E371-S415 PolarHBondContact OE2-N 3.14Å; E371-S415 PolarHBondContact OE2-OG 3.32Å
372L96.7Very high94.9Very high26 Ų2641.3 Ų41.314%0.13623%0.225CC..  trans-121144.6175.2-17766.7000109.1L340 C398 L401L340-L372 HydrophobicContact CD1-CD1 4.41Å; L340-L372 HydrophobicContact CD2-CD1 4.09Å; L340-L372 HydrophobicContact CD2-CD2 3.96Å; L340-L372 HydrophobicContact CD2-CG 4.07Å; L372-C398 HydrophobicContact CB-CB 4.15Å; L372-C398 HydrophobicContact CD2-CB 4.39Å; L372-C398 HydrophobicContact CG-CB 4.38Å; L372-C398 PolarHBondContact O-N 2.8Å; L372-C398 PolarHBondContact O-SG 3.47Å; L372-L401 HydrophobicContact CB-CD2 4.48Å
373Y97.9Very high94.5Very high1 Ų140.5 Ų40.50%0.00423%0.226CC..EExtended strand (participates in β ladder)trans-132.9149.6179.3-72.2-104.5000111.2L341 W363 E371 V396 R397 L466L341-Y373 PolarHBondContact N-O 2.86Å; W363-Y373 AromaticContact CH2-CD1 3.83Å; W363-Y373 HydrophobicContact CH2-CD1 3.83Å; W363-Y373 AromaticContact CH2-CD2 3.37Å; W363-Y373 HydrophobicContact CH2-CD2 3.37Å; W363-Y373 HydrophobicContact CH2-CE1 4.17Å; W363-Y373 AromaticContact CH2-CE2 3.78Å; W363-Y373 HydrophobicContact CH2-CE2 3.78Å; W363-Y373 AromaticContact CH2-CG 3.43Å; W363-Y373 HydrophobicContact CH2-CG 3.43Å; W363-Y373 VanDerWaalsContact CH2-CG 3.43Å; W363-Y373 AromaticContact CZ2-CD2 3.95Å; W363-Y373 HydrophobicContact CZ2-CD2 3.95Å; W363-Y373 HydrophobicContact CZ2-CG 4.03Å; W363-Y373 HydrophobicContact CZ3-CD2 4.16Å; W363-Y373 HydrophobicContact CZ3-CE2 4.11Å; W363-Y373 HydrophobicContact CZ3-CG 4.44Å; E371-Y373 HydrophobicContact CB-CD2 4.45Å; E371-Y373 HydrophobicContact CB-CE2 3.78Å; E371-Y373 PolarHBondContact OE2-OH 3.17Å; E371-Y373 VanDerWaalsContact OE2-OH 3.08Å; Y373-V396 VanDerWaalsContact CA-O 3.31Å; Y373-V396 WeakPolarHBondContact CA-O 3.49Å; Y373-R397 HydrophobicContact CD1-CB 4.05Å; Y373-R397 HydrophobicContact CE1-CB 3.56Å; Y373-R397 HydrophobicContact CE1-CG 4.18Å; Y373-R397 HydrophobicContact CE2-CG 4.29Å; Y373-L466 HydrophobicContact CE1-CB 4.33Å; Y373-L466 WeakPolarHBondContact CE1-O 3.45Å; Y373-L466 PolarHBondContact OH-O 2.78Å
374A98.2Very high93.9Very high0 Ų040.3 Ų40.30%023%0.231CC..EExtended strand (participates in β ladder)trans-135.6147.3176.400000111.5F327 F338 V339 L340 V395 V396 C406F327-A374 HydrophobicContact CZ-CB 4.23Å; F338-A374 HydrophobicContact CB-CB 4.25Å; F338-A374 HydrophobicContact CD1-CB 3.7Å; F338-A374 HydrophobicContact CE1-CB 4.43Å; F338-A374 HydrophobicContact CG-CB 4.26Å; V339-A374 CarbonylContact O-C 3.54Å; V339-A374 VanDerWaalsContact O-CA 3.31Å; V339-A374 WeakPolarHBondContact O-CA 3.48Å; L340-A374 HydrophobicContact CD2-CB 4.15Å; A374-V395 WeakPolarHBondContact O-CA 3.4Å; A374-V396 PolarHBondContact N-O 3.11Å; A374-V396 PolarHBondContact O-N 2.96Å; A374-C406 HydrophobicContact CB-CB 4.06Å
375L98.7Very high93.3Very high0 Ų041 Ų410%024%0.239CC..EExtended strand (participates in β ladder)trans-93.8127.9163.2173.570.4000108.1F338 V339 L341 L348 V350 C357 L359 A394 V395 L421F338-L375 CarbonylContact C-O 3.49Å; F338-L375 VanDerWaalsContact CA-O 3.23Å; F338-L375 WeakPolarHBondContact CA-O 3.47Å; V339-L375 HydrophobicContact CG1-CB 4.21Å; V339-L375 PolarHBondContact N-O 3.29Å; V339-L375 PolarHBondContact O-N 2.98Å; L341-L375 HydrophobicContact CD1-CB 4.17Å; L348-L375 HydrophobicContact CB-CD2 4.07Å; V350-L375 HydrophobicContact CG1-CB 4.49Å; V350-L375 HydrophobicContact CG1-CD2 3.76Å; V350-L375 HydrophobicContact CG1-CG 3.67Å; C357-L375 HydrophobicContact CB-CD1 4.23Å; C357-L375 HydrophobicContact CB-CD2 4.23Å; C357-L375 HydrophobicContact CB-CG 4.34Å; L359-L375 HydrophobicContact CB-CD1 4.06Å; L359-L375 HydrophobicContact CB-CD2 3.73Å; L359-L375 HydrophobicContact CB-CG 4.37Å; L359-L375 HydrophobicContact CD2-CB 4.31Å; L359-L375 HydrophobicContact CD2-CD1 4.48Å; L375-A394 CarbonylContact C-O 3.59Å; L375-A394 WeakPolarHBondContact CA-O 3.47Å; L375-V395 HydrophobicContact CD1-CG2 3.93Å; L375-L421 HydrophobicContact CD1-CD1 3.65Å
376G98.3Very high93.1Very high0 Ų041 Ų410%023%0.232CC..EExtended strand (participates in β ladder)trans-118.9145.2178.900000113.3N337 A394N337-G376 CarbonylContact O-C 3.45Å; N337-G376 VanDerWaalsContact O-CA 3.29Å; N337-G376 WeakPolarHBondContact O-CA 3.36Å; G376-A394 PolarHBondContact N-O 3.03Å; G376-A394 PolarHBondContact O-N 3.12Å
377A98.6Very high92.9Very high0 Ų044.5 Ų44.50%024%0.243CC..EExtended strand (participates in β ladder)trans-125.7139.916800000110.6N337 V350 D352 F355 C357 V392N337-A377 PolarHBondContact N-O 3.26Å; N337-A377 VanDerWaalsContact N-O 3.1Å; N337-A377 PolarHBondContact O-N 3.41Å; V350-A377 HydrophobicContact CG1-CB 3.87Å; D352-A377 HydrophobicContact CB-CB 4.45Å; F355-A377 HydrophobicContact CD1-CB 4.38Å; C357-A377 HydrophobicContact CB-CB 4.09Å; A377-V392 WeakPolarHBondContact CA-O 3.46Å
378F98.3Very high93.2Very high18 Ų1841.7 Ų41.78%0.07923%0.228CC..EExtended strand (participates in β ladder)trans-143.7137.8170.6175.3-115.1000109.9D334 L335 Y336 D352 V390 Q391 V392D334-F378 HydrophobicContact CB-CD1 4.11Å; D334-F378 HydrophobicContact CB-CD2 4.3Å; D334-F378 HydrophobicContact CB-CE1 3.79Å; D334-F378 HydrophobicContact CB-CE2 4Å; D334-F378 HydrophobicContact CB-CG 4.36Å; D334-F378 HydrophobicContact CB-CZ 3.74Å; L335-F378 WeakPolarHBondContact O-CD2 3.2Å; Y336-F378 HydrophobicContact CD1-CB 3.42Å; Y336-F378 VanDerWaalsContact CD1-CB 3.42Å; Y336-F378 HydrophobicContact CD2-CB 3.92Å; Y336-F378 HydrophobicContact CD2-CG 4.29Å; Y336-F378 HydrophobicContact CE1-CB 3.2Å; Y336-F378 HydrophobicContact CE1-CG 4.27Å; Y336-F378 HydrophobicContact CE2-CB 3.75Å; Y336-F378 HydrophobicContact CE2-CD1 4.21Å; Y336-F378 AromaticContact CE2-CG 4Å; Y336-F378 HydrophobicContact CE2-CG 4Å; Y336-F378 HydrophobicContact CG-CB 3.75Å; Y336-F378 AromaticContact CZ-CG 3.93Å; D352-F378 WeakPolarHBondContact OD2-CA 3.47Å; F378-V390 HydrophobicContact CD1-CG2 3.56Å; F378-V390 HydrophobicContact CE1-CG2 3.39Å; F378-Q391 CarbonylContact O-C 3.56Å; F378-Q391 WeakPolarHBondContact O-CA 3.43Å; F378-V392 PolarHBondContact N-O 3.49Å; F378-V392 VanDerWaalsContact N-O 3.08Å; F378-V392 PolarHBondContact O-N 2.95Å
379A97.8Very high93.7Very high29 Ų2937 Ų3724%0.2421%0.208CC..EExtended strand (participates in β ladder)trans-141.4105.6172.300000110.1D352 F355 V390 Q391D352-A379 PolarHBondContact OD2-N 2.86Å; F355-A379 HydrophobicContact CB-CB 3.52Å; F355-A379 HydrophobicContact CD1-CB 4.05Å; F355-A379 HydrophobicContact CG-CB 3.97Å; A379-V390 WeakPolarHBondContact CA-O 3.22Å; A379-Q391 HydrophobicContact CB-CG 3.98Å
380G96.7Very high94.1Very high28 Ų2833 Ų3329%0.28918%0.18SC..EExtended strand (participates in β ladder)trans171.3-169.9-178.500000114.3V390G380-V390 PolarHBondContact N-O 3.45Å; G380-V390 PolarHBondContact O-N 3.22Å
381M96.5Very high94.4Very high73 Ų7328 Ų2836%0.3616%0.158SC..EExtended strand (participates in β ladder)trans-76128.2174.2-65-56.5-6900110N383 R387 A389M381-N383 PolarHBondContact O-N 3.42Å; M381-R387 HydrophobicContact CE-CB 3.84Å; M381-A389 HydrophobicContact SD-CB 3.57Å; M381-A389 VanDerWaalsContact SD-CB 3.57Å
382H94.8Very high94.6Very high16 Ų1627.7 Ų27.77%0.07416%0.157CC..  trans-54.5136.2170.7-18064.2000110.5A332 D334 G384 R387 Y388A332-H382 PolarHBondContact O-CE1 3.14Å; D334-H382 VanDerWaalsContact CG-ND1 3.34Å; D334-H382 VanDerWaalsContact OD1-CA 3.27Å; D334-H382 WeakPolarHBondContact OD1-CA 3.05Å; D334-H382 IonicContact OD1-CE1 3.79Å; D334-H382 IonicContact OD1-CG 3.5Å; D334-H382 IonicContact OD1-ND1 3.99Å; D334-H382 PolarHBondContact OD1-ND1 3.39Å; D334-H382 VanDerWaalsContact OD1-ND1 3.13Å; D334-H382 IonicContact OD2-CE1 3.84Å; D334-H382 IonicContact OD2-CG 2.59Å; D334-H382 IonicContact OD2-ND1 3.77Å; D334-H382 PolarHBondContact OD2-ND1 2.93Å; H382-G384 VanDerWaalsContact C-N 3.31Å; H382-G384 PolarHBondContact CD2-N 3.43Å; H382-G384 PolarHBondContact O-N 2.94Å; H382-R387 WeakPolarHBondContact O-CD 3.31Å; H382-R387 PolarHBondContact O-NH1 3.32Å; H382-Y388 HydrophobicContact CB-CD1 4.48Å; H382-Y388 HydrophobicContact CB-CD2 3.91Å; H382-Y388 HydrophobicContact CB-CE1 4.35Å; H382-Y388 HydrophobicContact CB-CE2 3.76Å; H382-Y388 HydrophobicContact CB-CG 4.26Å; H382-Y388 VanDerWaalsContact CB-O 3.23Å; H382-Y388 WeakPolarHBondContact CB-O 3.18Å; H382-Y388 AromaticContact CD2-CE1 3.49Å; H382-Y388 VanDerWaalsContact CD2-CE1 3.49Å; H382-Y388 WeakPolarHBondContact CD2-CE1 3.47Å; H382-Y388 AromaticContact CD2-CZ 3.36Å; H382-Y388 PolarHBondContact CD2-OH 3.41Å; H382-Y388 AromaticContact CG-CE2 3.85Å; H382-Y388 AromaticContact CG-CZ 3.64Å; H382-Y388 PolarHBondContact N-O 2.87Å; H382-Y388 AromaticContact NE2-CZ 3.89Å; H382-Y388 PolarHBondContact NE2-OH 3.22Å
383N87.8Confident94.7Very high95 Ų9526.4 Ų26.451%0.50815%0.15SC..  trans-9940.4-174.7-165.140.7000112.4H333 D334 M381 R387H333-N383 WeakPolarHBondContact O-CB 3.26Å; H333-N383 PolarHBondContact O-ND2 3.1Å; D334-N383 PolarHBondContact OD1-N 2.89Å; M381-N383 PolarHBondContact O-N 3.42Å; N383-R387 PolarHBondContact OD1-NH1 3.28Å
384G84Confident94.7Very high20 Ų2026.4 Ų26.421%0.20615%0.15CC..SBendtrans-94.1179.9163.900000111.9H382 I386H382-G384 VanDerWaalsContact C-N 3.31Å; H382-G384 PolarHBondContact CD2-N 3.43Å; H382-G384 PolarHBondContact O-N 2.94Å; G384-I386 VanDerWaalsContact C-N 3.3Å
385S79.3Confident94.7Very high84 Ų8426.4 Ų26.459%0.58715%0.15SC*.SBendtrans-74.6-24.3174.378.50000112.5Y165Y165-S385 WeakPolarHBondContact CE1-OG 3.3Å; Y165-S385 PolarHBondContact OH-OG 2.88Å
386I85.1Confident94.7Very high44 Ų4426.4 Ų26.423%0.22615%0.15CC..SBendtrans-98.6120.4167.9-54176.3000106.7Y164 F194 F198 G384Y164-I386 HydrophobicContact CD2-CD1 4.09Å; F194-I386 HydrophobicContact CD1-CD1 4.39Å; F194-I386 HydrophobicContact CE1-CB 4.39Å; F194-I386 HydrophobicContact CE1-CD1 3.46Å; F194-I386 VanDerWaalsContact CE1-CD1 3.46Å; F194-I386 HydrophobicContact CE1-CG1 4.5Å; F194-I386 HydrophobicContact CE1-CG2 3.9Å; F194-I386 HydrophobicContact CZ-CB 4.23Å; F194-I386 HydrophobicContact CZ-CD1 3.81Å; F194-I386 HydrophobicContact CZ-CG2 3.99Å; F198-I386 HydrophobicContact CZ-CG2 4.14Å; G384-I386 VanDerWaalsContact C-N 3.3Å
387R89.4Confident94.6Very high124 Ų12428.5 Ų28.547%0.46816%0.158SC..  trans-91.7136.5-174.1-64.5-66.1-167171.7-3.7109.9M381 H382 N383M381-R387 HydrophobicContact CE-CB 3.84Å; H382-R387 WeakPolarHBondContact O-CD 3.31Å; H382-R387 PolarHBondContact O-NH1 3.32Å; N383-R387 PolarHBondContact OD1-NH1 3.28Å
388Y95.8Very high94.6Very high9 Ų928.6 Ų28.64%0.03516%0.159CC..  trans-158.9146.2170.751.1-95.3000109.9F194 F198 H382 V390 D479F194-Y388 HydrophobicContact CZ-CE1 4.39Å; F198-Y388 HydrophobicContact CZ-CD1 4.35Å; H382-Y388 HydrophobicContact CB-CD1 4.48Å; H382-Y388 HydrophobicContact CB-CD2 3.91Å; H382-Y388 HydrophobicContact CB-CE1 4.35Å; H382-Y388 HydrophobicContact CB-CE2 3.76Å; H382-Y388 HydrophobicContact CB-CG 4.26Å; H382-Y388 VanDerWaalsContact CB-O 3.23Å; H382-Y388 WeakPolarHBondContact CB-O 3.18Å; H382-Y388 AromaticContact CD2-CE1 3.49Å; H382-Y388 VanDerWaalsContact CD2-CE1 3.49Å; H382-Y388 WeakPolarHBondContact CD2-CE1 3.47Å; H382-Y388 AromaticContact CD2-CZ 3.36Å; H382-Y388 PolarHBondContact CD2-OH 3.41Å; H382-Y388 AromaticContact CG-CE2 3.85Å; H382-Y388 AromaticContact CG-CZ 3.64Å; H382-Y388 PolarHBondContact N-O 2.87Å; H382-Y388 AromaticContact NE2-CZ 3.89Å; H382-Y388 PolarHBondContact NE2-OH 3.22Å; Y388-V390 HydrophobicContact CD2-CG1 3.88Å; Y388-V390 HydrophobicContact CE2-CG1 4.08Å; Y388-D479 VanDerWaalsContact CA-OD1 3.3Å; Y388-D479 WeakPolarHBondContact CA-OD1 3.34Å
389A97.6Very high94.5Very high3 Ų329.8 Ų29.83%0.02517%0.172CC..EExtended strand (participates in β ladder)trans-90.7129.6-171.700000113.2M381 R474 M475 L478 D479M381-A389 HydrophobicContact SD-CB 3.57Å; M381-A389 VanDerWaalsContact SD-CB 3.57Å; A389-R474 PolarHBondContact O-NH1 2.86Å; A389-M475 HydrophobicContact CB-CB 3.74Å; A389-M475 PolarHBondContact O-N 3.31Å; A389-L478 HydrophobicContact CB-CB 3.55Å; A389-L478 HydrophobicContact CB-CD1 4.44Å; A389-D479 PolarHBondContact N-OD1 2.88Å
390V97.8Very high94.4Very high2 Ų229.9 Ų29.91%0.01218%0.176CC..EExtended strand (participates in β ladder)trans-132.8152.1-177.5-64.10000112.4F378 A379 G380 Y388 V392 Y472 G473F378-V390 HydrophobicContact CD1-CG2 3.56Å; F378-V390 HydrophobicContact CE1-CG2 3.39Å; A379-V390 WeakPolarHBondContact CA-O 3.22Å; G380-V390 PolarHBondContact N-O 3.45Å; G380-V390 PolarHBondContact O-N 3.22Å; Y388-V390 HydrophobicContact CD2-CG1 3.88Å; Y388-V390 HydrophobicContact CE2-CG1 4.08Å; V390-V392 HydrophobicContact CB-CG2 3.93Å; V390-V392 HydrophobicContact CG2-CG2 3.98Å; V390-Y472 HydrophobicContact CG1-CE1 3.93Å; V390-G473 VanDerWaalsContact CA-O 3.29Å; V390-G473 WeakPolarHBondContact CA-O 3.39Å
391Q98.3Very high94.3Very high9 Ų933.2 Ų33.24%0.04219%0.186CC..EExtended strand (participates in β ladder)trans-120.2119.7160.2-72.6-174-34.500107.1F355 F378 A379 F425 G473 M475F355-Q391 HydrophobicContact CD2-CB 4.1Å; F355-Q391 HydrophobicContact CD2-CG 4.13Å; F355-Q391 HydrophobicContact CE1-CB 4.29Å; F355-Q391 HydrophobicContact CE2-CB 3.84Å; F355-Q391 HydrophobicContact CE2-CG 4.37Å; F355-Q391 HydrophobicContact CG-CB 4.43Å; F355-Q391 HydrophobicContact CG-CG 4.35Å; F355-Q391 HydrophobicContact CZ-CB 3.94Å; F378-Q391 CarbonylContact O-C 3.56Å; F378-Q391 WeakPolarHBondContact O-CA 3.43Å; A379-Q391 HydrophobicContact CB-CG 3.98Å; Q391-F425 HydrophobicContact CB-CD1 3.88Å; Q391-F425 HydrophobicContact CB-CE1 4.11Å; Q391-F425 WeakPolarHBondContact O-CE1 3.42Å; Q391-G473 PolarHBondContact N-O 3.29Å; Q391-G473 VanDerWaalsContact O-CA 3.28Å; Q391-G473 WeakPolarHBondContact O-CA 3.37Å; Q391-G473 PolarHBondContact O-N 3.01Å; Q391-M475 HydrophobicContact CG-CG 4.09Å; Q391-M475 HydrophobicContact CG-SD 4.28Å
392V98.4Very high94.3Very high0 Ų036.2 Ų36.20%020%0.2CC..EExtended strand (participates in β ladder)trans-129.2128.8-172.6-177.60000110.5L226 Y336 F355 A377 F378 V390 A394 Y472L226-V392 HydrophobicContact CD1-CG1 4.16Å; L226-V392 HydrophobicContact CD2-CG1 4.43Å; Y336-V392 HydrophobicContact CE1-CB 3.91Å; Y336-V392 HydrophobicContact CE1-CG1 3.95Å; Y336-V392 VanDerWaalsContact OH-CB 3.28Å; Y336-V392 WeakPolarHBondContact OH-CB 3.01Å; Y336-V392 WeakPolarHBondContact OH-CG1 3.48Å; Y336-V392 WeakPolarHBondContact OH-CG2 3.49Å; F355-V392 WeakPolarHBondContact CE1-O 3.28Å; A377-V392 WeakPolarHBondContact CA-O 3.46Å; F378-V392 PolarHBondContact N-O 3.49Å; F378-V392 VanDerWaalsContact N-O 3.08Å; F378-V392 PolarHBondContact O-N 2.95Å; V390-V392 HydrophobicContact CB-CG2 3.93Å; V390-V392 HydrophobicContact CG2-CG2 3.98Å; V392-A394 HydrophobicContact CG1-CB 4.34Å; V392-Y472 HydrophobicContact CG1-CD2 4.34Å; V392-Y472 HydrophobicContact CG2-CD2 3.8Å; V392-Y472 HydrophobicContact CG2-CE2 3.94Å; V392-Y472 HydrophobicContact CG2-CG 4.33Å
393C98.5Very high94.2Very high0 Ų037 Ų370%021%0.209CC..EExtended strand (participates in β ladder)trans-119.2115173.7-158.60000110F355 C357 A423 F425 C470 L471F355-C393 HydrophobicContact CE1-CB 4.47Å; F355-C393 HydrophobicContact CZ-CB 4.25Å; C357-C393 WeakPolarHBondContact CA-SG 3.47Å; C357-C393 HydrophobicContact CB-CB 4.31Å; C357-C393 WeakPolarHBondContact CB-SG 3.11Å; C357-C393 WeakPolarHBondContact SG-CA 3.48Å; C357-C393 WeakPolarHBondContact SG-CB 3.39Å; C357-C393 CovalentContact SG-SG 2.02Å; C357-C393 PolarHBondContact SG-SG 3.18Å; C393-A423 HydrophobicContact CB-CB 4.19Å; C393-F425 HydrophobicContact CB-CZ 4.41Å; C393-C470 CarbonylContact O-C 3.56Å; C393-C470 WeakPolarHBondContact O-CA 3.42Å; C393-L471 HydrophobicContact CB-CB 4.19Å; C393-L471 PolarHBondContact N-O 2.99Å; C393-L471 PolarHBondContact O-N 3.21Å
394A98.4Very high94.6Very high0 Ų036 Ų360%021%0.209CC..EExtended strand (participates in β ladder)trans-140.8135.4-171.200000113.3L226 M331 L375 G376 V392 V396 A469 C470L226-A394 HydrophobicContact CD2-CB 4.21Å; M331-A394 HydrophobicContact CE-CB 4.25Å; L375-A394 CarbonylContact C-O 3.59Å; L375-A394 WeakPolarHBondContact CA-O 3.47Å; G376-A394 PolarHBondContact N-O 3.03Å; G376-A394 PolarHBondContact O-N 3.12Å; V392-A394 HydrophobicContact CG1-CB 4.34Å; A394-V396 HydrophobicContact CB-CG1 4.18Å; A394-A469 CarbonylContact C-O 3.59Å; A394-A469 WeakPolarHBondContact CA-O 3.43Å; A394-C470 HydrophobicContact CB-CB 4.12Å
395V98.3Very high95.2Very high0 Ų035.5 Ų35.50%020%0.202CC..EExtended strand (participates in β ladder)trans-94.4128.9160.4-172.80000107.7L341 L359 A374 L375 M417 L421 L466 T468 A469L341-V395 HydrophobicContact CD2-CG1 4.19Å; L359-V395 HydrophobicContact CD1-CG2 3.69Å; L359-V395 HydrophobicContact CD2-CG1 4.46Å; L359-V395 HydrophobicContact CD2-CG2 3.62Å; L359-V395 HydrophobicContact CG-CG2 4.22Å; A374-V395 WeakPolarHBondContact O-CA 3.4Å; L375-V395 HydrophobicContact CD1-CG2 3.93Å; V395-M417 HydrophobicContact CB-CE 4.45Å; V395-M417 HydrophobicContact CG1-CE 3.74Å; V395-L421 HydrophobicContact CG2-CD1 4.17Å; V395-L466 HydrophobicContact CG1-CD2 4.4Å; V395-T468 CarbonylContact O-C 3.6Å; V395-T468 WeakPolarHBondContact O-CA 3.5Å; V395-T468 WeakPolarHBondContact O-CB 3.4Å; V395-T468 PolarHBondContact O-OG1 3.47Å; V395-A469 PolarHBondContact N-O 3.14Å; V395-A469 PolarHBondContact O-N 3.19Å
396V98.1Very high96Very high1 Ų131.5 Ų31.51%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-132.6141-176.3-64.30000111.3P225 M331 F338 Y373 A374 A394P225-V396 HydrophobicContact CB-CG1 4.35Å; P225-V396 HydrophobicContact CG-CG1 4.08Å; M331-V396 HydrophobicContact SD-CG1 3.78Å; F338-V396 HydrophobicContact CE1-CG2 3.87Å; F338-V396 HydrophobicContact CZ-CG2 4.5Å; Y373-V396 VanDerWaalsContact CA-O 3.31Å; Y373-V396 WeakPolarHBondContact CA-O 3.49Å; A374-V396 PolarHBondContact N-O 3.11Å; A374-V396 PolarHBondContact O-N 2.96Å; A394-V396 HydrophobicContact CB-CG1 4.18Å
397R97.6Very high96.5Very high43 Ų4329.6 Ų29.616%0.16217%0.166CC..EExtended strand (participates in β ladder)trans-71.3129.8161.3-178.2174.1175.3-80.114.5108.7E371 Y373 V410 E412 I467E371-R397 VanDerWaalsContact CD-NE 3.35Å; E371-R397 IonicContact OE1-CZ 2.65Å; E371-R397 IonicContact OE1-NE 2.84Å; E371-R397 PolarHBondContact OE1-NE 3.19Å; E371-R397 IonicContact OE1-NH2 3.13Å; E371-R397 PolarHBondContact OE1-NH2 3.11Å; Y373-R397 HydrophobicContact CD1-CB 4.05Å; Y373-R397 HydrophobicContact CE1-CB 3.56Å; Y373-R397 HydrophobicContact CE1-CG 4.18Å; Y373-R397 HydrophobicContact CE2-CG 4.29Å; R397-V410 HydrophobicContact CB-CG1 4.22Å; R397-V410 HydrophobicContact CG-CG1 4.08Å; R397-E412 WeakPolarHBondContact CD-O 3.35Å; R397-E412 PolarHBondContact NE-O 3.28Å; R397-E412 PolarHBondContact NH1-O 3.38Å; R397-E412 VanDerWaalsContact NH1-O 3.12Å; R397-E412 PolarHBondContact NH2-O 3.45Å; R397-I467 PolarHBondContact N-O 2.61Å
398C97.8Very high96.8Very high2 Ų228.5 Ų28.51%0.01417%0.166CC..  trans-78150.4174-46.40000109.9L372 G400 S405 C406L372-C398 HydrophobicContact CB-CB 4.15Å; L372-C398 HydrophobicContact CD2-CB 4.39Å; L372-C398 HydrophobicContact CG-CB 4.38Å; L372-C398 PolarHBondContact O-N 2.8Å; L372-C398 PolarHBondContact O-SG 3.47Å; C398-G400 VanDerWaalsContact C-N 3.25Å; C398-G400 PolarHBondContact O-N 3.15Å; C398-S405 WeakPolarHBondContact CB-OG 3.38Å; C398-C406 HydrophobicContact CB-CB 3.91Å; C398-C406 WeakPolarHBondContact CB-SG 3.32Å; C398-C406 VanDerWaalsContact SG-CA 3.58Å; C398-C406 WeakPolarHBondContact SG-CB 3.34Å; C398-C406 CovalentContact SG-SG 2.04Å; C398-C406 PolarHBondContact SG-SG 3.4Å
399A96.4Very high96.7Very high44 Ų4432.5 Ų32.536%0.36419%0.185SC..SBendtrans-69.7-24.6-176.300000113.3S405 Q408 V410A399-S405 PolarHBondContact N-O 3.18Å; A399-S405 VanDerWaalsContact N-O 3.08Å; A399-S405 PolarHBondContact N-OG 2.78Å; A399-Q408 HydrophobicContact CB-CB 3.85Å; A399-V410 HydrophobicContact CB-CG2 3.89Å
400G95.4Very high96.5Very high30 Ų3032.7 Ų32.731%0.30919%0.186SC..SBendtrans-139.7-161.9171.400000111.8C398 E402 S405C398-G400 VanDerWaalsContact C-N 3.25Å; C398-G400 PolarHBondContact O-N 3.15Å; G400-E402 VanDerWaalsContact C-N 3.26Å; G400-E402 PolarHBondContact O-N 2.93Å; G400-S405 PolarHBondContact N-OG 2.81Å; G400-S405 PolarHBondContact O-OG 3.42Å
401L95.5Very high96.1Very high98 Ų9835.6 Ų35.651%0.51320%0.201SC..SBendtrans-87.97.2179.4-62.5175.6000113.3S369 L372S369-L401 WeakPolarHBondContact O-CD1 3.33Å; L372-L401 HydrophobicContact CB-CD2 4.48Å
402E95.2Very high95.9Very high137 Ų13740.6 Ų40.664%0.6422%0.224SC*.SBendtrans-103.4138.9179-61.6-176.9-169.100110.6G400 S404 S405G400-E402 VanDerWaalsContact C-N 3.26Å; G400-E402 PolarHBondContact O-N 2.93Å; E402-S404 PolarHBondContact O-N 3.46Å; E402-S404 PolarHBondContact OE2-OG 3.46Å; E402-S405 WeakPolarHBondContact O-CB 3.38Å; E402-S405 PolarHBondContact O-N 3.45Å; E402-S405 PolarHBondContact O-OG 3.38Å
403A94.7Very high95.7Very high32 Ų3240.7 Ų40.726%0.26423%0.225SC..G310 helixtrans-58.1-34.5179.200000112.8F327 L340 S405 C406F327-A403 HydrophobicContact CD1-CB 4.25Å; F327-A403 HydrophobicContact CD2-CB 4.04Å; F327-A403 HydrophobicContact CE1-CB 4.05Å; F327-A403 HydrophobicContact CE2-CB 3.82Å; F327-A403 WeakPolarHBondContact CE2-O 3.49Å; F327-A403 HydrophobicContact CG-CB 4.24Å; F327-A403 HydrophobicContact CZ-CB 3.81Å; L340-A403 HydrophobicContact CD1-CB 4.4Å; L340-A403 HydrophobicContact CD2-CB 4.37Å; A403-S405 PolarHBondContact O-N 2.95Å; A403-S405 VanDerWaalsContact O-N 3.11Å; A403-C406 WeakPolarHBondContact O-CB 3.49Å; A403-C406 PolarHBondContact O-N 3.01Å; A403-C406 VanDerWaalsContact O-N 3.12Å; A403-C406 PolarHBondContact O-SG 3.45Å
404S94.6Very high95.6Very high74 Ų7446.4 Ų46.452%0.51725%0.252SS..G310 helixtrans-60.1-19.2175.655.30000114E402 Q408E402-S404 PolarHBondContact O-N 3.46Å; E402-S404 PolarHBondContact OE2-OG 3.46Å; S404-Q408 PolarHBondContact O-NE2 3.13Å
405S96.6Very high95.4Very high9 Ų946.5 Ų46.56%0.06325%0.252CS..G310 helixtrans-88.3-6.6179.977.10000113.7C398 A399 G400 E402 A403 Q408C398-S405 WeakPolarHBondContact CB-OG 3.38Å; A399-S405 PolarHBondContact N-O 3.18Å; A399-S405 VanDerWaalsContact N-O 3.08Å; A399-S405 PolarHBondContact N-OG 2.78Å; G400-S405 PolarHBondContact N-OG 2.81Å; G400-S405 PolarHBondContact O-OG 3.42Å; E402-S405 WeakPolarHBondContact O-CB 3.38Å; E402-S405 PolarHBondContact O-N 3.45Å; E402-S405 PolarHBondContact O-OG 3.38Å; A403-S405 PolarHBondContact O-N 2.95Å; A403-S405 VanDerWaalsContact O-N 3.11Å; S405-Q408 WeakPolarHBondContact O-CB 3.08Å; S405-Q408 WeakPolarHBondContact O-CG 3.37Å; S405-Q408 PolarHBondContact O-N 2.83Å
406C97.3Very high95.3Very high0 Ų050.1 Ų50.10%027%0.268CS..THydrogen-bonded Turntrans-70.7131177.3-54.40000110.5F327 A374 C398 A403F327-C406 HydrophobicContact CE2-CB 4.34Å; F327-C406 HydrophobicContact CZ-CB 4.17Å; A374-C406 HydrophobicContact CB-CB 4.06Å; C398-C406 HydrophobicContact CB-CB 3.91Å; C398-C406 WeakPolarHBondContact CB-SG 3.32Å; C398-C406 VanDerWaalsContact SG-CA 3.58Å; C398-C406 WeakPolarHBondContact SG-CB 3.34Å; C398-C406 CovalentContact SG-SG 2.04Å; C398-C406 PolarHBondContact SG-SG 3.4Å; A403-C406 WeakPolarHBondContact O-CB 3.49Å; A403-C406 PolarHBondContact O-N 3.01Å; A403-C406 VanDerWaalsContact O-N 3.12Å; A403-C406 PolarHBondContact O-SG 3.45Å
407G95.2Very high95.1Very high5 Ų550 Ų505%0.05227%0.268CS..THydrogen-bonded Turntrans93.1-6.9-174.300000115
408Q95.8Very high95.1Very high101 Ų10149.6 Ų49.647%0.47227%0.269SS..SBendtrans-77.9168173.4-62-177.32.700112.2A399 S404 S405 V410A399-Q408 HydrophobicContact CB-CB 3.85Å; S404-Q408 PolarHBondContact O-NE2 3.13Å; S405-Q408 WeakPolarHBondContact O-CB 3.08Å; S405-Q408 WeakPolarHBondContact O-CG 3.37Å; S405-Q408 PolarHBondContact O-N 2.83Å; Q408-V410 PolarHBondContact O-N 3.14Å
409H92.9Very high95.1Very high93 Ų9349.9 Ų49.943%0.43127%0.269SS..  trans-65.8124.6-178177.8-84.7000112.4L411H409-L411 WeakPolarHBondContact CE1-CD2 3.36Å; H409-L411 VanDerWaalsContact CE1-CG 3.45Å; H409-L411 WeakPolarHBondContact CE1-CG 3.06Å
410V93.3Very high95.2Very high6 Ų649.6 Ų49.64%0.03626%0.262CS..  trans-135.8124.5-177.2170.40000110.8R397 A399 Q408 E412 I467R397-V410 HydrophobicContact CB-CG1 4.22Å; R397-V410 HydrophobicContact CG-CG1 4.08Å; A399-V410 HydrophobicContact CB-CG2 3.89Å; Q408-V410 PolarHBondContact O-N 3.14Å; V410-E412 VanDerWaalsContact CG1-O 3.3Å; V410-E412 WeakPolarHBondContact CG1-O 3.36Å; V410-I467 HydrophobicContact CB-CG2 4.48Å; V410-I467 HydrophobicContact CG1-CG2 4.31Å
411L90.6Very high95.4Very high63 Ų6348.1 Ų48.133%0.3325%0.247SC..  trans-100.5-24.3-179.9-63.7177.4000114.1L224 H409 M439 I467L224-L411 HydrophobicContact CD1-CD2 3.69Å; H409-L411 WeakPolarHBondContact CE1-CD2 3.36Å; H409-L411 VanDerWaalsContact CE1-CG 3.45Å; H409-L411 WeakPolarHBondContact CE1-CG 3.06Å; L411-M439 HydrophobicContact CB-CE 4.07Å; L411-M439 HydrophobicContact CD2-CE 3.44Å; L411-M439 VanDerWaalsContact CD2-CE 3.44Å; L411-M439 HydrophobicContact CG-CE 4.37Å; L411-M439 WeakPolarHBondContact O-CE 3.26Å; L411-I467 WeakPolarHBondContact O-CD1 3.48Å
412E92.6Very high95.5Very high114 Ų11445 Ų4553%0.53323%0.23SC..  trans-126.7143.4-169-65.4-179.7-179.700110.7N274 R397 V410 N437N274-E412 PolarHBondContact ND2-OE1 2.93Å; R397-E412 WeakPolarHBondContact CD-O 3.35Å; R397-E412 PolarHBondContact NE-O 3.28Å; R397-E412 PolarHBondContact NH1-O 3.38Å; R397-E412 VanDerWaalsContact NH1-O 3.12Å; R397-E412 PolarHBondContact NH2-O 3.45Å; V410-E412 VanDerWaalsContact CG1-O 3.3Å; V410-E412 WeakPolarHBondContact CG1-O 3.36Å; E412-N437 WeakPolarHBondContact CA-OD1 3.48Å
413A94.9Very high95.6Very high2 Ų238.6 Ų38.62%0.01720%0.2CC..  trans-149.6140.417600000110.8E371 N437 G465 L466 I467E371-A413 WeakPolarHBondContact OE1-CA 3.31Å; A413-N437 HydrophobicContact CB-CB 4.48Å; A413-N437 PolarHBondContact N-OD1 3.44Å; A413-N437 WeakPolarHBondContact O-CB 3.46Å; A413-G465 WeakPolarHBondContact O-CA 3.35Å; A413-L466 VanDerWaalsContact CB-O 3.22Å; A413-L466 WeakPolarHBondContact CB-O 3.43Å; A413-I467 HydrophobicContact CB-CG1 3.86Å
414E95.8Very high95.8Very high120 Ų12041.1 Ų41.156%0.56121%0.212SC*.  trans-109.9-30.4175.8-65.5-176.8173.500112.3K370 E371K370-E414 IonicContact NZ-OE2 3.13Å; E371-E414 PolarHBondContact OE1-N 3.29Å; E371-E414 PolarHBondContact OE2-N 3.18Å
415S95.9Very high95.9Very high2 Ų238 Ų381%0.01419%0.189CC..  trans-75.9132.1-171.6-56.10000113A365 H366 E371 G465 L466A365-S415 CarbonylContact O-C 3.51Å; A365-S415 VanDerWaalsContact O-CA 3.23Å; A365-S415 WeakPolarHBondContact O-CA 3.18Å; H366-S415 WeakPolarHBondContact ND1-CB 3.48Å; H366-S415 PolarHBondContact ND1-OG 3.15Å; E371-S415 WeakPolarHBondContact OE2-CA 3.33Å; E371-S415 WeakPolarHBondContact OE2-CB 3.07Å; E371-S415 PolarHBondContact OE2-N 3.14Å; E371-S415 PolarHBondContact OE2-OG 3.32Å; S415-G465 CarbonylContact O-C 3.56Å; S415-G465 VanDerWaalsContact O-CA 3.23Å; S415-G465 WeakPolarHBondContact O-CA 3.5Å; S415-L466 PolarHBondContact O-N 3.05Å
416K95.4Very high95.9Very high76 Ų7643.3 Ų43.333%0.3321%0.213SC..EExtended strand (participates in β ladder)trans-108.2135.3-176.6-54.7-177-169.9-166.70110T364 A365 T463T364-K416 PolarHBondContact N-O 2.92Å; T364-K416 WeakPolarHBondContact OG1-CB 3.24Å; T364-K416 PolarHBondContact OG1-O 3.46Å; A365-K416 HydrophobicContact CB-CB 4.23Å; A365-K416 HydrophobicContact CB-CD 4.28Å; A365-K416 HydrophobicContact CB-CG 4.25Å; A365-K416 PolarHBondContact N-O 2.75Å; A365-K416 PolarHBondContact O-N 3.28Å; K416-T463 WeakPolarHBondContact CD-O 2.99Å; K416-T463 WeakPolarHBondContact CE-O 3.19Å; K416-T463 PolarHBondContact NZ-O 3.24Å
417M94.7Very high95.8Very high0 Ų043.8 Ų43.80%022%0.216CC..EExtended strand (participates in β ladder)trans-143.2131.4-171-173.9172.968.400111.7L341 Y361 W363 V395 F419 L462 L466L341-M417 HydrophobicContact CD2-CE 4.48Å; L341-M417 HydrophobicContact CD2-SD 3.76Å; Y361-M417 VanDerWaalsContact CB-SD 3.56Å; Y361-M417 HydrophobicContact CD2-CG 4.43Å; Y361-M417 HydrophobicContact CD2-SD 3.84Å; Y361-M417 HydrophobicContact CG-SD 3.96Å; W363-M417 HydrophobicContact CE3-CB 3.74Å; W363-M417 HydrophobicContact CE3-CG 4.15Å; W363-M417 HydrophobicContact CE3-SD 4.33Å; W363-M417 HydrophobicContact CH2-CB 4.42Å; W363-M417 HydrophobicContact CH2-SD 3.73Å; W363-M417 HydrophobicContact CZ2-SD 4.05Å; W363-M417 HydrophobicContact CZ3-CB 3.66Å; W363-M417 HydrophobicContact CZ3-CG 4.16Å; W363-M417 HydrophobicContact CZ3-SD 3.93Å; V395-M417 HydrophobicContact CB-CE 4.45Å; V395-M417 HydrophobicContact CG1-CE 3.74Å; M417-F419 HydrophobicContact CE-CB 4.06Å; M417-F419 HydrophobicContact CE-CD1 4.03Å; M417-F419 HydrophobicContact CE-CG 4.29Å; M417-F419 HydrophobicContact CG-CB 4.49Å; M417-L462 VanDerWaalsContact O-CB 3.28Å; M417-L462 WeakPolarHBondContact O-CB 3.2Å; M417-L466 HydrophobicContact CE-CD2 3.4Å; M417-L466 VanDerWaalsContact CE-CD2 3.4Å
418D97Very high95.7Very high34 Ų3449.7 Ų49.718%0.18225%0.246CC..EExtended strand (participates in β ladder)trans-84136.9161.7-63.9-12.6000108.2Y361 K362 Y459 N461Y361-D418 CarbonylContact C-O 3.51Å; Y361-D418 VanDerWaalsContact CA-O 3.24Å; Y361-D418 WeakPolarHBondContact CA-O 3.34Å; K362-D418 PolarHBondContact N-O 3.17Å; K362-D418 PolarHBondContact O-N 2.65Å; D418-Y459 WeakPolarHBondContact CA-O 3.44Å; D418-N461 WeakPolarHBondContact OD1-CA 3.44Å; D418-N461 PolarHBondContact OD1-N 3.19Å
419F98.1Very high95.8Very high7 Ų748.1 Ų48.13%0.03124%0.237CC..EExtended strand (participates in β ladder)trans-149154.4-178.767.6-94.3000114.2L359 Q360 M417 L421 V434 M457 K458 Y459 L466 A469L359-F419 HydrophobicContact CD1-CB 3.85Å; Q360-F419 CarbonylContact O-C 3.56Å; Q360-F419 WeakPolarHBondContact O-CA 3.4Å; M417-F419 HydrophobicContact CE-CB 4.06Å; M417-F419 HydrophobicContact CE-CD1 4.03Å; M417-F419 HydrophobicContact CE-CG 4.29Å; M417-F419 HydrophobicContact CG-CB 4.49Å; F419-L421 HydrophobicContact CD2-CB 4.05Å; F419-L421 HydrophobicContact CE2-CB 4.33Å; F419-V434 HydrophobicContact CZ-CG1 4.43Å; F419-V434 HydrophobicContact CZ-CG2 3.95Å; F419-M457 HydrophobicContact CE2-CE 3.96Å; F419-M457 HydrophobicContact CE2-CG 4.36Å; F419-M457 HydrophobicContact CZ-CE 4.35Å; F419-K458 WeakPolarHBondContact O-CA 3.42Å; F419-Y459 HydrophobicContact CE1-CG 4.28Å; F419-Y459 HydrophobicContact CZ-CG 4.44Å; F419-Y459 PolarHBondContact N-O 2.87Å; F419-Y459 PolarHBondContact O-N 3.19Å; F419-L466 HydrophobicContact CE1-CD2 4.48Å; F419-A469 HydrophobicContact CE1-CB 3.99Å; F419-A469 HydrophobicContact CE2-CB 3.81Å; F419-A469 HydrophobicContact CZ-CB 3.46Å; F419-A469 VanDerWaalsContact CZ-CB 3.46Å
420L98.4Very high96.1Very high38 Ų3843.8 Ų43.820%0.19922%0.216CC..EExtended strand (participates in β ladder)trans-122.9110160.3171.366.1000106.8L359 Q360 A456 M457 K458L359-L420 WeakPolarHBondContact CA-O 3.45Å; Q360-L420 HydrophobicContact CB-CB 4.27Å; Q360-L420 PolarHBondContact N-O 3.42Å; Q360-L420 PolarHBondContact O-N 3.19Å; L420-A456 HydrophobicContact CD1-CB 4.1Å; L420-M457 WeakPolarHBondContact CA-O 3.45Å; L420-K458 HydrophobicContact CD1-CB 4.08Å
421L98.6Very high96.3Very high0 Ų043.6 Ų43.60%022%0.215CC..EExtended strand (participates in β ladder)trans-104.5126176.5-179.365.1000108.6L359 L375 V395 F419 A456 M457 L471L359-L421 HydrophobicContact CB-CD1 4.49Å; L359-L421 HydrophobicContact CD1-CB 4.35Å; L359-L421 HydrophobicContact CD1-CD1 4.27Å; L375-L421 HydrophobicContact CD1-CD1 3.65Å; V395-L421 HydrophobicContact CG2-CD1 4.17Å; F419-L421 HydrophobicContact CD2-CB 4.05Å; F419-L421 HydrophobicContact CE2-CB 4.33Å; L421-A456 WeakPolarHBondContact O-CA 3.48Å; L421-M457 HydrophobicContact CD2-CE 4.2Å; L421-M457 PolarHBondContact N-O 3.23Å; L421-M457 PolarHBondContact O-N 3.44Å; L421-L471 HydrophobicContact CD2-CG 4.19Å; L421-L471 HydrophobicContact CG-CD1 4.27Å; L421-L471 HydrophobicContact CG-CG 4.4Å
422E98.2Very high96.6Very high33 Ų3340.7 Ų40.715%0.15420%0.2CC..EExtended strand (participates in β ladder)trans-143.9150.4-179.869.4-177.8-176.500112.8H358 R454 V455 A456H358-E422 HydrophobicContact CB-CG 3.65Å; H358-E422 PolarHBondContact N-O 2.72Å; H358-E422 PolarHBondContact O-N 2.94Å; E422-R454 IonicContact OE2-CZ 3.79Å; E422-R454 IonicContact OE2-NE 3.2Å; E422-R454 PolarHBondContact OE2-NE 2.88Å; E422-R454 IonicContact OE2-NH2 2.59Å; E422-R454 PolarHBondContact OE2-NH2 2.92Å; E422-V455 WeakPolarHBondContact CA-O 3.45Å; E422-V455 WeakPolarHBondContact CB-O 3.37Å; E422-A456 HydrophobicContact CB-CB 3.79Å
423A98.2Very high96.9Very high1 Ų135.8 Ų35.81%0.00818%0.178CC..EExtended strand (participates in β ladder)trans-151.8163169.900000110F355 C356 C393 F425 R454 V455F355-A423 HydrophobicContact CE2-CB 3.84Å; F355-A423 HydrophobicContact CZ-CB 3.76Å; C356-A423 WeakPolarHBondContact O-CB 2.98Å; C393-A423 HydrophobicContact CB-CB 4.19Å; A423-F425 HydrophobicContact CB-CD2 4.28Å; A423-F425 HydrophobicContact CB-CE2 3.66Å; A423-F425 HydrophobicContact CB-CZ 3.97Å; A423-R454 WeakPolarHBondContact O-CA 3.5Å; A423-V455 PolarHBondContact N-O 3.1Å; A423-V455 VanDerWaalsContact N-O 3.11Å; A423-V455 PolarHBondContact O-N 3.01Å
424T97.8Very high97Very high86 Ų8635.8 Ų35.853%0.52818%0.178SC..EExtended strand (participates in β ladder)trans-102.9109.6172-55.50000108.7G452T424-G452 WeakPolarHBondContact CG2-O 3.44Å
425F97.4Very high97Very high8 Ų830.1 Ų30.14%0.03515%0.152CC..  trans-90.8149.6-176.7-67.5-94.1000111.1F355 Q391 C393 A423 T427 V430 G453 V455 L471F355-F425 AromaticContact CE2-CD1 3.83Å; F355-F425 HydrophobicContact CE2-CD1 3.83Å; F355-F425 AromaticContact CE2-CE1 3.83Å; F355-F425 HydrophobicContact CE2-CE1 3.83Å; F355-F425 HydrophobicContact CE2-CG 4.24Å; F355-F425 HydrophobicContact CE2-CZ 4.24Å; F355-F425 HydrophobicContact CZ-CD1 4.15Å; F355-F425 AromaticContact CZ-CE1 3.67Å; F355-F425 HydrophobicContact CZ-CE1 3.67Å; F355-F425 AromaticContact CZ-CZ 3.95Å; F355-F425 HydrophobicContact CZ-CZ 3.95Å; Q391-F425 HydrophobicContact CB-CD1 3.88Å; Q391-F425 HydrophobicContact CB-CE1 4.11Å; Q391-F425 WeakPolarHBondContact O-CE1 3.42Å; C393-F425 HydrophobicContact CB-CZ 4.41Å; A423-F425 HydrophobicContact CB-CD2 4.28Å; A423-F425 HydrophobicContact CB-CE2 3.66Å; A423-F425 HydrophobicContact CB-CZ 3.97Å; F425-T427 HydrophobicContact CB-CG2 4.18Å; F425-T427 WeakPolarHBondContact CB-O 3.43Å; F425-T427 PolarHBondContact O-N 3.3Å; F425-V430 HydrophobicContact CB-CG2 3.87Å; F425-V430 HydrophobicContact CD1-CG2 3.73Å; F425-V430 HydrophobicContact CD2-CG1 4.33Å; F425-V430 HydrophobicContact CD2-CG2 3.77Å; F425-V430 HydrophobicContact CE1-CG1 4.22Å; F425-V430 HydrophobicContact CE1-CG2 4.2Å; F425-V430 HydrophobicContact CE2-CG1 3.98Å; F425-V430 HydrophobicContact CE2-CG2 4.25Å; F425-V430 HydrophobicContact CG-CG2 3.49Å; F425-V430 VanDerWaalsContact CG-CG2 3.49Å; F425-V430 HydrophobicContact CZ-CG1 3.94Å; F425-V430 HydrophobicContact CZ-CG2 4.46Å; F425-G453 PolarHBondContact N-O 3.46Å; F425-V455 HydrophobicContact CD2-CB 3.93Å; F425-V455 HydrophobicContact CD2-CG2 3.83Å; F425-V455 HydrophobicContact CE2-CB 3.9Å; F425-V455 HydrophobicContact CE2-CG2 4.27Å; F425-L471 HydrophobicContact CE2-CB 4.05Å; F425-L471 HydrophobicContact CE2-CD1 3.99Å; F425-L471 HydrophobicContact CZ-CB 3.52Å; F425-L471 HydrophobicContact CZ-CD1 4.24Å
426Q95.8Very high97Very high121 Ų12130 Ų3057%0.56515%0.151SC*.SBendtrans-91.719.4172-65.3175.3-0.600111.8M475Q426-M475 HydrophobicContact CB-CE 3.52Å; Q426-M475 HydrophobicContact CB-SD 3.95Å
427T95.1Very high96.9Very high10 Ų1028.7 Ų28.76%0.06115%0.148CC..SBendtrans-148.1146.3-177.2178.50000109.5F425 Y429 V430 R474 M475F425-T427 HydrophobicContact CB-CG2 4.18Å; F425-T427 WeakPolarHBondContact CB-O 3.43Å; F425-T427 PolarHBondContact O-N 3.3Å; T427-Y429 VanDerWaalsContact C-N 3.29Å; T427-Y429 VanDerWaalsContact OG1-CD2 3.27Å; T427-Y429 WeakPolarHBondContact OG1-CD2 3.46Å; T427-Y429 PolarHBondContact OG1-N 2.79Å; T427-Y429 VanDerWaalsContact OG1-N 3.09Å; T427-V430 HydrophobicContact CG2-CG2 4.36Å; T427-R474 WeakPolarHBondContact CB-O 3.46Å; T427-R474 WeakPolarHBondContact CG2-O 3.29Å; T427-R474 PolarHBondContact OG1-O 3.5Å; T427-M475 VanDerWaalsContact CB-SD 3.51Å; T427-M475 HydrophobicContact CG2-CG 4.48Å; T427-M475 HydrophobicContact CG2-SD 3.57Å; T427-M475 VanDerWaalsContact CG2-SD 3.57Å
428D94.3Very high96.6Very high128 Ų12832.2 Ų32.268%0.68417%0.171SC*.SBendtrans-81.5-14.1171.9-64.1-41.4000112.1V430D428-V430 PolarHBondContact O-N 2.74Å
429Y97.1Very high96.4Very high69 Ų6931 Ų3127%0.27116%0.164SC..  trans-87.273.6-175.5-52.8-70.3000111.4V203 T427 G473 R474 Y476V203-Y429 HydrophobicContact CG1-CD1 4.35Å; V203-Y429 HydrophobicContact CG1-CE1 3.5Å; V203-Y429 HydrophobicContact CG2-CE1 4.42Å; T427-Y429 VanDerWaalsContact C-N 3.29Å; T427-Y429 VanDerWaalsContact OG1-CD2 3.27Å; T427-Y429 WeakPolarHBondContact OG1-CD2 3.46Å; T427-Y429 PolarHBondContact OG1-N 2.79Å; T427-Y429 VanDerWaalsContact OG1-N 3.09Å; Y429-G473 WeakPolarHBondContact O-CA 3.27Å; Y429-R474 PolarHBondContact O-N 3.37Å; Y429-Y476 AromaticContact CD1-CE2 3.98Å; Y429-Y476 HydrophobicContact CD1-CE2 3.98Å; Y429-Y476 AromaticContact CD2-CD2 3.41Å; Y429-Y476 HydrophobicContact CD2-CD2 3.41Å; Y429-Y476 VanDerWaalsContact CD2-CD2 3.41Å; Y429-Y476 AromaticContact CD2-CE2 3.6Å; Y429-Y476 HydrophobicContact CD2-CE2 3.6Å; Y429-Y476 AromaticContact CE2-CD2 3.82Å; Y429-Y476 HydrophobicContact CE2-CD2 3.82Å; Y429-Y476 HydrophobicContact CE2-CE2 4.25Å; Y429-Y476 AromaticContact CG-CD2 3.81Å; Y429-Y476 HydrophobicContact CG-CD2 3.81Å; Y429-Y476 AromaticContact CG-CE2 3.45Å; Y429-Y476 HydrophobicContact CG-CE2 3.45Å; Y429-Y476 VanDerWaalsContact CG-CE2 3.45Å
430V98.1Very high96.2Very high1 Ų134.2 Ų34.21%0.00618%0.18CC..EExtended strand (participates in β ladder)trans-113.4125.3178.6-174.20000110.9G239 F425 T427 D428 P432 K449 V455 L471 Y472G239-V430 WeakPolarHBondContact CA-O 3.4Å; F425-V430 HydrophobicContact CB-CG2 3.87Å; F425-V430 HydrophobicContact CD1-CG2 3.73Å; F425-V430 HydrophobicContact CD2-CG1 4.33Å; F425-V430 HydrophobicContact CD2-CG2 3.77Å; F425-V430 HydrophobicContact CE1-CG1 4.22Å; F425-V430 HydrophobicContact CE1-CG2 4.2Å; F425-V430 HydrophobicContact CE2-CG1 3.98Å; F425-V430 HydrophobicContact CE2-CG2 4.25Å; F425-V430 HydrophobicContact CG-CG2 3.49Å; F425-V430 VanDerWaalsContact CG-CG2 3.49Å; F425-V430 HydrophobicContact CZ-CG1 3.94Å; F425-V430 HydrophobicContact CZ-CG2 4.46Å; T427-V430 HydrophobicContact CG2-CG2 4.36Å; D428-V430 PolarHBondContact O-N 2.74Å; V430-P432 WeakPolarHBondContact O-CD 3.35Å; V430-K449 PolarHBondContact O-NZ 3.26Å; V430-V455 HydrophobicContact CB-CG2 4.11Å; V430-V455 HydrophobicContact CG1-CB 4.38Å; V430-V455 HydrophobicContact CG1-CG1 4.1Å; V430-V455 HydrophobicContact CG1-CG2 4.26Å; V430-V455 HydrophobicContact CG2-CG2 3.96Å; V430-L471 HydrophobicContact CG1-CB 4.06Å; V430-L471 HydrophobicContact CG1-CD2 4.42Å; V430-Y472 WeakPolarHBondContact CA-O 3.35Å
431Y98Very high96Very high3 Ų333.1 Ų33.11%0.01218%0.175CC..EExtended strand (participates in β ladder)trans-110.698.3-175.5-50-58000110.3F232 F236 A240 Y472 R474 Y476F232-Y431 HydrophobicContact CE2-CD2 4.25Å; F232-Y431 HydrophobicContact CZ-CD2 4.03Å; F236-Y431 HydrophobicContact CB-CD1 4.46Å; F236-Y431 AromaticContact CD2-CD1 3.98Å; F236-Y431 HydrophobicContact CD2-CD1 3.98Å; F236-Y431 AromaticContact CD2-CE1 3.53Å; F236-Y431 HydrophobicContact CD2-CE1 3.53Å; F236-Y431 HydrophobicContact CD2-CE2 4.3Å; F236-Y431 AromaticContact CD2-CZ 3.71Å; F236-Y431 AromaticContact CE2-CE1 3.78Å; F236-Y431 HydrophobicContact CE2-CE1 3.78Å; F236-Y431 AromaticContact CE2-CZ 3.75Å; F236-Y431 HydrophobicContact CG-CE1 4.36Å; A240-Y431 HydrophobicContact CB-CE1 4.37Å; Y431-Y472 HydrophobicContact CD2-CD1 4.33Å; Y431-Y472 WeakPolarHBondContact CD2-O 3.31Å; Y431-Y472 PolarHBondContact N-O 2.66Å; Y431-Y472 PolarHBondContact O-N 2.78Å; Y431-Y472 VanDerWaalsContact O-N 3.08Å; Y431-R474 HydrophobicContact CD2-CG 4.47Å; Y431-R474 HydrophobicContact CE2-CB 4.23Å; Y431-R474 HydrophobicContact CE2-CG 3.9Å; Y431-Y476 PolarHBondContact OH-OH 3.13Å
432P97.9Very high95.7Very high2 Ų235.7 Ų35.71%0.01319%0.186CC..EExtended strand (participates in β ladder)trans-79.3135.3-17929.6-32.6000111.7A235 L238 V430 L447 M457 C470 L471A235-P432 VanDerWaalsContact CA-O 3.31Å; A235-P432 WeakPolarHBondContact CA-O 3.49Å; A235-P432 WeakPolarHBondContact CB-O 3.22Å; L238-P432 HydrophobicContact CD2-CG 3.72Å; L238-P432 HydrophobicContact CG-CG 3.9Å; V430-P432 WeakPolarHBondContact O-CD 3.35Å; P432-L447 HydrophobicContact CB-CD1 4Å; P432-L447 HydrophobicContact CG-CD1 3.87Å; P432-L447 HydrophobicContact CG-CD2 3.7Å; P432-L447 HydrophobicContact CG-CG 4.45Å; P432-M457 HydrophobicContact CB-SD 3.73Å; P432-C470 CarbonylContact C-O 3.36Å; P432-C470 WeakPolarHBondContact CA-O 3.01Å; P432-L471 HydrophobicContact CB-CD2 3.74Å
433S97.8Very high95.4Very high10 Ų1038 Ų387%0.0720%0.197CC..EExtended strand (participates in β ladder)trans-136.4146.6176.469.90000112.5Q231 A469 C470Q231-S433 PolarHBondContact NE2-OG 2.81Å; S433-A469 CarbonylContact O-C 3.5Å; S433-A469 WeakPolarHBondContact O-CA 3.5Å; S433-C470 PolarHBondContact N-O 3.17Å; S433-C470 PolarHBondContact O-N 3.19Å
434V97.4Very high95.2Very high3 Ų338.5 Ų38.52%0.01820%0.199CC..EExtended strand (participates in β ladder)trans-133.4113.9169.9-175.90000107.3F419 V441 K442 M457 Y459 L462 L466 A469F419-V434 HydrophobicContact CZ-CG1 4.43Å; F419-V434 HydrophobicContact CZ-CG2 3.95Å; V434-V441 WeakPolarHBondContact O-CA 3.26Å; V434-K442 HydrophobicContact CB-CB 4.39Å; V434-K442 HydrophobicContact CG1-CB 4.34Å; V434-K442 PolarHBondContact O-N 2.91Å; V434-M457 HydrophobicContact CG2-CE 3.92Å; V434-M457 HydrophobicContact CG2-SD 3.74Å; V434-Y459 HydrophobicContact CG1-CD2 4.45Å; V434-Y459 HydrophobicContact CG2-CD2 4.44Å; V434-L462 HydrophobicContact CG1-CD1 4.42Å; V434-L466 HydrophobicContact CG1-CD1 3.87Å; V434-A469 HydrophobicContact CG2-CB 4.43Å
435L96.9Very high95Very high0 Ų039 Ų390%020%0.199CC..EExtended strand (participates in β ladder)trans-112.7125.5178.6-174.967.3000109.3L224 Q231 M439 V441 I467 T468L224-L435 HydrophobicContact CD2-CD2 3.41Å; L224-L435 VanDerWaalsContact CD2-CD2 3.41Å; Q231-L435 HydrophobicContact CG-CB 4.36Å; L435-M439 HydrophobicContact CD1-SD 4.44Å; L435-M439 HydrophobicContact CD2-SD 4.24Å; L435-V441 HydrophobicContact CD1-CG1 3.93Å; L435-I467 HydrophobicContact CD2-CB 4.44Å; L435-I467 HydrophobicContact CD2-CG2 4.21Å; L435-I467 HydrophobicContact CG-CB 4.36Å; L435-I467 HydrophobicContact CG-CD1 4.45Å; L435-I467 WeakPolarHBondContact O-CA 3.01Å; L435-I467 WeakPolarHBondContact O-CB 3.24Å; L435-I467 PolarHBondContact O-N 3.19Å; L435-T468 HydrophobicContact CB-CG2 3.83Å; L435-T468 HydrophobicContact CD2-CG2 4.45Å; L435-T468 PolarHBondContact N-O 3.2Å; L435-T468 PolarHBondContact O-N 3.18Å
436M95.1Very high94.9Very high1 Ų144 Ų441%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-110.1173.2177.5-59.3-166.8-43.100111.6M439 E440 K442 L462 G465 I467M436-M439 PolarHBondContact O-N 3.2Å; M436-E440 HydrophobicContact CB-CB 4.5Å; M436-E440 HydrophobicContact CE-CB 4.26Å; M436-E440 HydrophobicContact CE-CG 4.26Å; M436-E440 WeakPolarHBondContact CE-OE2 3.18Å; M436-E440 PolarHBondContact N-O 2.95Å; M436-E440 PolarHBondContact O-N 2.83Å; M436-K442 HydrophobicContact CE-CD 3.94Å; M436-K442 HydrophobicContact CE-CG 3.49Å; M436-K442 VanDerWaalsContact CE-CG 3.49Å; M436-K442 HydrophobicContact CG-CG 4.16Å; M436-K442 HydrophobicContact SD-CG 3.71Å; M436-L462 HydrophobicContact CG-CD1 4.22Å; M436-L462 HydrophobicContact SD-CD1 3.44Å; M436-L462 WeakPolarHBondContact SD-CD1 3.37Å; M436-L462 HydrophobicContact SD-CD2 4.3Å; M436-L462 HydrophobicContact SD-CG 3.75Å; M436-G465 CarbonylContact C-O 3.58Å; M436-G465 WeakPolarHBondContact CA-O 3.42Å; M436-G465 WeakPolarHBondContact CB-O 3.35Å; M436-I467 VanDerWaalsContact O-CD1 3.31Å; M436-I467 WeakPolarHBondContact O-CD1 3.35Å
437N92.7Very high94.9Very high48 Ų4840.8 Ų40.826%0.25721%0.207SC..G310 helixtrans-44.9148.7171.5-164.541.5000112.5E412 A413 M439 G465E412-N437 WeakPolarHBondContact CA-OD1 3.48Å; A413-N437 HydrophobicContact CB-CB 4.48Å; A413-N437 PolarHBondContact N-OD1 3.44Å; A413-N437 WeakPolarHBondContact O-CB 3.46Å; N437-M439 PolarHBondContact O-N 3.45Å; N437-G465 PolarHBondContact N-O 3.27Å
438C89.4Confident94.9Very high74 Ų7443.5 Ų43.550%0.522%0.219SC..G310 helixtrans60.528.3-176.3-53.70000114.1V273 E440V273-C438 HydrophobicContact CG2-CB 4.49Å; V273-C438 VanDerWaalsContact CG2-O 3.23Å; V273-C438 WeakPolarHBondContact CG2-O 3.42Å; C438-E440 VanDerWaalsContact C-N 3.29Å; C438-E440 PolarHBondContact O-N 3.47Å
439M92.2Very high94.8Very high7 Ų741.9 Ų41.93%0.03421%0.206CC..G310 helixtrans54.546.3178-56-62.2144.500112.2L224 I230 H271 V273 L411 L435 M436 N437 I467L224-M439 HydrophobicContact CD1-CE 3.89Å; L224-M439 HydrophobicContact CD1-SD 4.44Å; I230-M439 HydrophobicContact CD1-CB 4.25Å; I230-M439 WeakPolarHBondContact CD1-O 3.41Å; H271-M439 HydrophobicContact CB-CB 4.22Å; V273-M439 HydrophobicContact CG2-CB 4.19Å; V273-M439 HydrophobicContact CG2-CG 4.34Å; L411-M439 HydrophobicContact CB-CE 4.07Å; L411-M439 HydrophobicContact CD2-CE 3.44Å; L411-M439 VanDerWaalsContact CD2-CE 3.44Å; L411-M439 HydrophobicContact CG-CE 4.37Å; L411-M439 WeakPolarHBondContact O-CE 3.26Å; L435-M439 HydrophobicContact CD1-SD 4.44Å; L435-M439 HydrophobicContact CD2-SD 4.24Å; M436-M439 PolarHBondContact O-N 3.2Å; N437-M439 PolarHBondContact O-N 3.45Å; M439-I467 HydrophobicContact CE-CD1 3.87Å
440E93.3Very high94.5Very high76 Ų7641.4 Ų41.436%0.35521%0.21SC..EExtended strand (participates in β ladder)trans-99.7118.8175.9-168.4-178.9-167.100109.9F269 M436 C438 K442F269-E440 HydrophobicContact CZ-CG 4.38Å; M436-E440 HydrophobicContact CB-CB 4.5Å; M436-E440 HydrophobicContact CE-CB 4.26Å; M436-E440 HydrophobicContact CE-CG 4.26Å; M436-E440 WeakPolarHBondContact CE-OE2 3.18Å; M436-E440 PolarHBondContact N-O 2.95Å; M436-E440 PolarHBondContact O-N 2.83Å; C438-E440 VanDerWaalsContact C-N 3.29Å; C438-E440 PolarHBondContact O-N 3.47Å; E440-K442 WeakPolarHBondContact OE1-CE 3.29Å; E440-K442 IonicContact OE1-NZ 3.46Å; E440-K442 PolarHBondContact OE1-NZ 2.78Å; E440-K442 WeakPolarHBondContact OE2-CE 3.28Å; E440-K442 IonicContact OE2-NZ 2.77Å; E440-K442 PolarHBondContact OE2-NZ 2.83Å
441V94.5Very high93.7Very high15 Ų1548.9 Ų48.99%0.09126%0.256CS..EExtended strand (participates in β ladder)trans-85.6135172.1-67.90000110.9I230 Q231 R234 F269 V434 L435I230-V441 HydrophobicContact CB-CG1 4.35Å; I230-V441 HydrophobicContact CD1-CG1 3.82Å; I230-V441 HydrophobicContact CD1-CG2 4.47Å; I230-V441 HydrophobicContact CG1-CG1 3.82Å; Q231-V441 HydrophobicContact CB-CG1 4.37Å; R234-V441 HydrophobicContact CG-CG2 4.41Å; F269-V441 HydrophobicContact CD1-CG2 3.73Å; F269-V441 HydrophobicContact CD2-CG2 4.46Å; F269-V441 HydrophobicContact CE1-CG2 3.33Å; F269-V441 HydrophobicContact CE2-CG2 4.13Å; F269-V441 HydrophobicContact CG-CG2 4.29Å; F269-V441 HydrophobicContact CZ-CG2 3.57Å; V434-V441 WeakPolarHBondContact O-CA 3.26Å; L435-V441 HydrophobicContact CD1-CG1 3.93Å
442K93.6Very high92.9Very high53 Ų5351.3 Ų51.323%0.2328%0.282CS..  trans-118.1147.6177.6-67.6-64.1-170.8-171.70112.1V434 M436 E440 Y459V434-K442 HydrophobicContact CB-CB 4.39Å; V434-K442 HydrophobicContact CG1-CB 4.34Å; V434-K442 PolarHBondContact O-N 2.91Å; M436-K442 HydrophobicContact CE-CD 3.94Å; M436-K442 HydrophobicContact CE-CG 3.49Å; M436-K442 VanDerWaalsContact CE-CG 3.49Å; M436-K442 HydrophobicContact CG-CG 4.16Å; M436-K442 HydrophobicContact SD-CG 3.71Å; E440-K442 WeakPolarHBondContact OE1-CE 3.29Å; E440-K442 IonicContact OE1-NZ 3.46Å; E440-K442 PolarHBondContact OE1-NZ 2.78Å; E440-K442 WeakPolarHBondContact OE2-CE 3.28Å; E440-K442 IonicContact OE2-NZ 2.77Å; E440-K442 PolarHBondContact OE2-NZ 2.83Å; K442-Y459 HydrophobicContact CB-CE2 3.73Å; K442-Y459 HydrophobicContact CG-CE2 4.5Å
443Q91.9Very high92.5Very high83 Ų8351.7 Ų51.739%0.38829%0.286SS..  trans-85.3133.2170.1178.3170.8-29.800109.2R234 F265 Y459R234-Q443 VanDerWaalsContact NH2-OE1 3.14Å; F265-Q443 PolarHBondContact O-OE1 3.37Å; Q443-Y459 VanDerWaalsContact O-CE2 3.25Å; Q443-Y459 WeakPolarHBondContact O-CE2 3.47Å
444P93.4Very high92.4Very high10 Ų1055.3 Ų55.37%0.06530%0.299CS..  trans-66.4149174.428.5-35.6000111.9L238 K446 L447 M457L238-P444 HydrophobicContact CD2-CG 4.1Å; P444-K446 VanDerWaalsContact C-N 3.27Å; P444-K446 PolarHBondContact O-N 3.24Å; P444-L447 HydrophobicContact CG-CB 4.46Å; P444-M457 HydrophobicContact CB-CG 3.52Å; P444-M457 HydrophobicContact CB-SD 4.04Å; P444-M457 HydrophobicContact CG-CG 3.97Å; P444-M457 HydrophobicContact CG-SD 4.08Å
445D93.4Very high92.5Very high97 Ų9755.5 Ų55.552%0.51930%0.299SS..SBendtrans-64.4-36177.2-61-39.2000111.7K458 Y459 S460D445-K458 PolarHBondContact N-O 3.33Å; D445-Y459 WeakPolarHBondContact OD2-CA 3.38Å; D445-S460 PolarHBondContact OD2-N 2.92Å
446K94.6Very high92.5Very high112 Ų11255.6 Ų55.649%0.48730%0.301SS..EExtended strand (participates in β ladder)trans-142.7132.6178.2-158-179.6-168.8-1720110.4P444 E448 K458P444-K446 VanDerWaalsContact C-N 3.27Å; P444-K446 PolarHBondContact O-N 3.24Å; K446-E448 HydrophobicContact CD-CG 4.15Å; K446-E448 WeakPolarHBondContact CD-OE1 3.48Å; K446-E448 WeakPolarHBondContact CE-OE1 3.38Å; K446-E448 HydrophobicContact CG-CG 4.21Å; K446-E448 IonicContact NZ-OE1 3.94Å; K446-E448 PolarHBondContact NZ-OE1 3.09Å; K446-K458 HydrophobicContact CB-CB 4.16Å; K446-K458 PolarHBondContact N-O 2.96Å; K446-K458 PolarHBondContact O-N 3.38Å
447L95.7Very high92.6Very high55 Ų5555.6 Ų55.629%0.28830%0.3SS..EExtended strand (participates in β ladder)trans-125.5116.3169.6-179.369000108L238 P432 P444 V455 A456 M457L238-L447 HydrophobicContact CD1-CD2 4.15Å; L238-L447 HydrophobicContact CD2-CD2 4.45Å; L238-L447 HydrophobicContact CG-CD2 4.11Å; P432-L447 HydrophobicContact CB-CD1 4Å; P432-L447 HydrophobicContact CG-CD1 3.87Å; P432-L447 HydrophobicContact CG-CD2 3.7Å; P432-L447 HydrophobicContact CG-CG 4.45Å; P444-L447 HydrophobicContact CG-CB 4.46Å; L447-V455 HydrophobicContact CD1-CG1 4.07Å; L447-A456 WeakPolarHBondContact CA-O 3.45Å; L447-M457 HydrophobicContact CD1-CB 4.26Å
448E94.9Very high92.9Very high66 Ų6657.9 Ų57.931%0.30831%0.308SS..EExtended strand (participates in β ladder)trans-109.2133.4176.3-62.5177.1-17600109.5K446 R454 V455 A456K446-E448 HydrophobicContact CD-CG 4.15Å; K446-E448 WeakPolarHBondContact CD-OE1 3.48Å; K446-E448 WeakPolarHBondContact CE-OE1 3.38Å; K446-E448 HydrophobicContact CG-CG 4.21Å; K446-E448 IonicContact NZ-OE1 3.94Å; K446-E448 PolarHBondContact NZ-OE1 3.09Å; E448-R454 IonicContact OE2-NH1 3.28Å; E448-V455 WeakPolarHBondContact O-CA 3.5Å; E448-A456 HydrophobicContact CB-CB 4.38Å; E448-A456 PolarHBondContact N-O 3.41Å; E448-A456 PolarHBondContact O-N 3Å
449K93.4Very high93.2Very high94 Ų9455.5 Ų55.541%0.40929%0.289SS..EExtended strand (participates in β ladder)trans-124.6126.5169.3-62.8-172.3174.1-1690107.7G239 V430 R454 V455G239-K449 PolarHBondContact O-NZ 3.5Å; V430-K449 PolarHBondContact O-NZ 3.26Å; K449-R454 WeakPolarHBondContact CA-O 3.42Å; K449-V455 HydrophobicContact CG-CG1 4.3Å; K449-V455 HydrophobicContact CG-CG2 4.19Å
450T90.2Very high93.3Very high59 Ų5957.1 Ų57.136%0.36230%0.301SS..  trans-109.1159.2177.377.20000111.3G452 G453 R454T450-G452 PolarHBondContact O-N 3.01Å; T450-G452 VanDerWaalsContact O-N 3.1Å; T450-G452 PolarHBondContact OG1-N 3.3Å; T450-G453 PolarHBondContact O-N 3.11Å; T450-G453 VanDerWaalsContact O-N 3.08Å; T450-R454 HydrophobicContact CG2-CB 4.42Å; T450-R454 PolarHBondContact N-O 2.88Å; T450-R454 WeakPolarHBondContact OG1-CB 3.44Å; T450-R454 PolarHBondContact OG1-N 3.12Å
451T80.4Confident93.1Very high159 Ų15959.4 Ų59.498%0.97532%0.315SS*.THydrogen-bonded Turntrans-61-16176.644.40000114.1G453T451-G453 VanDerWaalsContact C-N 3.32Å
452G81.2Confident92.8Very high53 Ų5358.8 Ų58.855%0.54631%0.312SS..THydrogen-bonded Turntrans-89.212.4175.200000114.4T424 T450 R454T424-G452 WeakPolarHBondContact CG2-O 3.44Å; T450-G452 PolarHBondContact O-N 3.01Å; T450-G452 VanDerWaalsContact O-N 3.1Å; T450-G452 PolarHBondContact OG1-N 3.3Å; G452-R454 VanDerWaalsContact C-N 3.25Å; G452-R454 PolarHBondContact O-N 2.79Å
453G90.7Very high92.4Very high10 Ų1060.7 Ų60.710%0.10333%0.328CS..SBendtrans77.92.8-179.400000114.6F425 T450 T451 V455F425-G453 PolarHBondContact N-O 3.46Å; T450-G453 PolarHBondContact O-N 3.11Å; T450-G453 VanDerWaalsContact O-N 3.08Å; T451-G453 VanDerWaalsContact C-N 3.32Å; G453-V455 PolarHBondContact O-N 2.69Å
454R96.3Very high92.4Very high87 Ų8757.5 Ų57.533%0.32832%0.318SS..EExtended strand (participates in β ladder)trans-71.4122.7174.4179.2176.1167.1-108.24109.2E422 A423 E448 K449 T450 G452E422-R454 IonicContact OE2-CZ 3.79Å; E422-R454 IonicContact OE2-NE 3.2Å; E422-R454 PolarHBondContact OE2-NE 2.88Å; E422-R454 IonicContact OE2-NH2 2.59Å; E422-R454 PolarHBondContact OE2-NH2 2.92Å; A423-R454 WeakPolarHBondContact O-CA 3.5Å; E448-R454 IonicContact OE2-NH1 3.28Å; K449-R454 WeakPolarHBondContact CA-O 3.42Å; T450-R454 HydrophobicContact CG2-CB 4.42Å; T450-R454 PolarHBondContact N-O 2.88Å; T450-R454 WeakPolarHBondContact OG1-CB 3.44Å; T450-R454 PolarHBondContact OG1-N 3.12Å; G452-R454 VanDerWaalsContact C-N 3.25Å; G452-R454 PolarHBondContact O-N 2.79Å
455V97.9Very high92.5Very high6 Ų657.2 Ų57.24%0.03632%0.317CS..EExtended strand (participates in β ladder)trans-117127.5171.5-176.40000108.4E422 A423 F425 V430 L447 E448 K449 G453 L471E422-V455 WeakPolarHBondContact CA-O 3.45Å; E422-V455 WeakPolarHBondContact CB-O 3.37Å; A423-V455 PolarHBondContact N-O 3.1Å; A423-V455 VanDerWaalsContact N-O 3.11Å; A423-V455 PolarHBondContact O-N 3.01Å; F425-V455 HydrophobicContact CD2-CB 3.93Å; F425-V455 HydrophobicContact CD2-CG2 3.83Å; F425-V455 HydrophobicContact CE2-CB 3.9Å; F425-V455 HydrophobicContact CE2-CG2 4.27Å; V430-V455 HydrophobicContact CB-CG2 4.11Å; V430-V455 HydrophobicContact CG1-CB 4.38Å; V430-V455 HydrophobicContact CG1-CG1 4.1Å; V430-V455 HydrophobicContact CG1-CG2 4.26Å; V430-V455 HydrophobicContact CG2-CG2 3.96Å; L447-V455 HydrophobicContact CD1-CG1 4.07Å; E448-V455 WeakPolarHBondContact O-CA 3.5Å; K449-V455 HydrophobicContact CG-CG1 4.3Å; K449-V455 HydrophobicContact CG-CG2 4.19Å; G453-V455 PolarHBondContact O-N 2.69Å; V455-L471 HydrophobicContact CB-CD1 4.44Å; V455-L471 HydrophobicContact CG1-CD1 4.27Å; V455-L471 HydrophobicContact CG1-CD2 3.96Å
456A97.9Very high92.7Very high3 Ų352.6 Ų52.63%0.02529%0.292CS..EExtended strand (participates in β ladder)trans-129.4128.1-179.800000110.5L420 L421 E422 L447 E448L420-A456 HydrophobicContact CD1-CB 4.1Å; L421-A456 WeakPolarHBondContact O-CA 3.48Å; E422-A456 HydrophobicContact CB-CB 3.79Å; L447-A456 WeakPolarHBondContact CA-O 3.45Å; E448-A456 HydrophobicContact CB-CB 4.38Å; E448-A456 PolarHBondContact N-O 3.41Å; E448-A456 PolarHBondContact O-N 3Å
457M97.9Very high92.8Very high0 Ų047.3 Ų47.30%027%0.269CS..EExtended strand (participates in β ladder)trans-118.9120.7179.4177.9171.966.300109.4F419 L420 L421 P432 V434 P444 L447 A469 L471F419-M457 HydrophobicContact CE2-CE 3.96Å; F419-M457 HydrophobicContact CE2-CG 4.36Å; F419-M457 HydrophobicContact CZ-CE 4.35Å; L420-M457 WeakPolarHBondContact CA-O 3.45Å; L421-M457 HydrophobicContact CD2-CE 4.2Å; L421-M457 PolarHBondContact N-O 3.23Å; L421-M457 PolarHBondContact O-N 3.44Å; P432-M457 HydrophobicContact CB-SD 3.73Å; V434-M457 HydrophobicContact CG2-CE 3.92Å; V434-M457 HydrophobicContact CG2-SD 3.74Å; P444-M457 HydrophobicContact CB-CG 3.52Å; P444-M457 HydrophobicContact CB-SD 4.04Å; P444-M457 HydrophobicContact CG-CG 3.97Å; P444-M457 HydrophobicContact CG-SD 4.08Å; L447-M457 HydrophobicContact CD1-CB 4.26Å; M457-A469 HydrophobicContact CE-CB 4.02Å; M457-L471 HydrophobicContact CB-CD2 3.93Å; M457-L471 HydrophobicContact CE-CD2 4.31Å; M457-L471 HydrophobicContact SD-CD2 4.45Å
458K97.7Very high92.9Very high97 Ų9744.7 Ų44.742%0.42226%0.255SS..EExtended strand (participates in β ladder)trans-112.7138.2178.8-172.3176.4175.7179.50111.2F419 L420 D445 K446 S460F419-K458 WeakPolarHBondContact O-CA 3.42Å; L420-K458 HydrophobicContact CD1-CB 4.08Å; D445-K458 PolarHBondContact N-O 3.33Å; K446-K458 HydrophobicContact CB-CB 4.16Å; K446-K458 PolarHBondContact N-O 2.96Å; K446-K458 PolarHBondContact O-N 3.38Å; K458-S460 WeakPolarHBondContact CE-OG 2.97Å
459Y96.9Very high93.1Very high23 Ų2341.6 Ų41.69%0.0924%0.24CC..EExtended strand (participates in β ladder)trans-134.5134.3169-151.1-67.7000110D418 F419 V434 K442 Q443 D445 L462D418-Y459 WeakPolarHBondContact CA-O 3.44Å; F419-Y459 HydrophobicContact CE1-CG 4.28Å; F419-Y459 HydrophobicContact CZ-CG 4.44Å; F419-Y459 PolarHBondContact N-O 2.87Å; F419-Y459 PolarHBondContact O-N 3.19Å; V434-Y459 HydrophobicContact CG1-CD2 4.45Å; V434-Y459 HydrophobicContact CG2-CD2 4.44Å; K442-Y459 HydrophobicContact CB-CE2 3.73Å; K442-Y459 HydrophobicContact CG-CE2 4.5Å; Q443-Y459 VanDerWaalsContact O-CE2 3.25Å; Q443-Y459 WeakPolarHBondContact O-CE2 3.47Å; D445-Y459 WeakPolarHBondContact OD2-CA 3.38Å; Y459-L462 HydrophobicContact CD1-CB 3.98Å; Y459-L462 HydrophobicContact CD1-CD1 3.52Å; Y459-L462 HydrophobicContact CD1-CG 4.38Å; Y459-L462 HydrophobicContact CD2-CD1 4.17Å; Y459-L462 HydrophobicContact CE1-CB 4.11Å; Y459-L462 HydrophobicContact CE1-CD1 3.38Å; Y459-L462 HydrophobicContact CE1-CG 4.34Å; Y459-L462 HydrophobicContact CE2-CD1 4.02Å; Y459-L462 HydrophobicContact CG-CD1 3.95Å
460S94.6Very high93.3Very high42 Ų4237.1 Ų37.129%0.29422%0.221SC..  trans-127.7144.3178.1-58.60000110.3D445 K458D445-S460 PolarHBondContact OD2-N 2.92Å; K458-S460 WeakPolarHBondContact CE-OG 2.97Å
461N88.6Confident93.7Very high123 Ų12334.3 Ų34.366%0.65820%0.204SC*.SBendtrans5449.7-176-62.2-40.1000113.6D418 T463D418-N461 WeakPolarHBondContact OD1-CA 3.44Å; D418-N461 PolarHBondContact OD1-N 3.19Å; N461-T463 PolarHBondContact O-N 2.81Å; N461-T463 VanDerWaalsContact O-N 3.12Å
462L87.8Confident94.5Very high3 Ų327.1 Ų27.12%0.01616%0.159CC..  trans-58.4118.6176-165.576000110.5M417 V434 M436 Y459 G464 L466M417-L462 VanDerWaalsContact O-CB 3.28Å; M417-L462 WeakPolarHBondContact O-CB 3.2Å; V434-L462 HydrophobicContact CG1-CD1 4.42Å; M436-L462 HydrophobicContact CG-CD1 4.22Å; M436-L462 HydrophobicContact SD-CD1 3.44Å; M436-L462 WeakPolarHBondContact SD-CD1 3.37Å; M436-L462 HydrophobicContact SD-CD2 4.3Å; M436-L462 HydrophobicContact SD-CG 3.75Å; Y459-L462 HydrophobicContact CD1-CB 3.98Å; Y459-L462 HydrophobicContact CD1-CD1 3.52Å; Y459-L462 HydrophobicContact CD1-CG 4.38Å; Y459-L462 HydrophobicContact CD2-CD1 4.17Å; Y459-L462 HydrophobicContact CE1-CB 4.11Å; Y459-L462 HydrophobicContact CE1-CD1 3.38Å; Y459-L462 HydrophobicContact CE1-CG 4.34Å; Y459-L462 HydrophobicContact CE2-CD1 4.02Å; Y459-L462 HydrophobicContact CG-CD1 3.95Å; L462-G464 WeakPolarHBondContact CD2-O 3.35Å; L462-L466 HydrophobicContact CD2-CB 3.74Å; L462-L466 HydrophobicContact CD2-CD1 3.96Å; L462-L466 HydrophobicContact CD2-CG 4.35Å
463T86.3Confident95.4Very high92 Ų9224.6 Ų24.656%0.56413%0.133SC*.  trans-85.7-25.6-170.9540000113.6K416 N461K416-T463 WeakPolarHBondContact CD-O 2.99Å; K416-T463 WeakPolarHBondContact CE-O 3.19Å; K416-T463 PolarHBondContact NZ-O 3.24Å; N461-T463 PolarHBondContact O-N 2.81Å; N461-T463 VanDerWaalsContact O-N 3.12Å
464G91.1Very high95.7Very high17 Ų1724.1 Ų24.118%0.17513%0.128CC..SBendtrans-108.7164.417900000112.4L462L462-G464 WeakPolarHBondContact CD2-O 3.35Å
465G95.6Very high95.7Very high4 Ų420.3 Ų20.34%0.04111%0.114CC..  trans-67.4133.4174.600000110.9A413 S415 M436 N437A413-G465 WeakPolarHBondContact O-CA 3.35Å; S415-G465 CarbonylContact O-C 3.56Å; S415-G465 VanDerWaalsContact O-CA 3.23Å; S415-G465 WeakPolarHBondContact O-CA 3.5Å; M436-G465 CarbonylContact C-O 3.58Å; M436-G465 WeakPolarHBondContact CA-O 3.42Å; M436-G465 WeakPolarHBondContact CB-O 3.35Å; N437-G465 PolarHBondContact N-O 3.27Å
466L97.1Very high95.7Very high0 Ų020.9 Ų20.90%012%0.116CC..EExtended strand (participates in β ladder)trans-79.2122.7-177.8-174.467.8000110.4Y373 V395 A413 S415 M417 F419 V434 L462 T468 A469Y373-L466 HydrophobicContact CE1-CB 4.33Å; Y373-L466 WeakPolarHBondContact CE1-O 3.45Å; Y373-L466 PolarHBondContact OH-O 2.78Å; V395-L466 HydrophobicContact CG1-CD2 4.4Å; A413-L466 VanDerWaalsContact CB-O 3.22Å; A413-L466 WeakPolarHBondContact CB-O 3.43Å; S415-L466 PolarHBondContact O-N 3.05Å; M417-L466 HydrophobicContact CE-CD2 3.4Å; M417-L466 VanDerWaalsContact CE-CD2 3.4Å; F419-L466 HydrophobicContact CE1-CD2 4.48Å; V434-L466 HydrophobicContact CG1-CD1 3.87Å; L462-L466 HydrophobicContact CD2-CB 3.74Å; L462-L466 HydrophobicContact CD2-CD1 3.96Å; L462-L466 HydrophobicContact CD2-CG 4.35Å; L466-T468 WeakPolarHBondContact CD1-O 3.5Å; L466-A469 HydrophobicContact CD1-CB 4.27Å; L466-A469 HydrophobicContact CD2-CB 4.37Å
467I96.9Very high95.5Very high1 Ų126.3 Ų26.31%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-84.7-51.3167.3-65.1177.6000108.7R397 V410 L411 A413 L435 M436 M439R397-I467 PolarHBondContact N-O 2.61Å; V410-I467 HydrophobicContact CB-CG2 4.48Å; V410-I467 HydrophobicContact CG1-CG2 4.31Å; L411-I467 WeakPolarHBondContact O-CD1 3.48Å; A413-I467 HydrophobicContact CB-CG1 3.86Å; L435-I467 HydrophobicContact CD2-CB 4.44Å; L435-I467 HydrophobicContact CD2-CG2 4.21Å; L435-I467 HydrophobicContact CG-CB 4.36Å; L435-I467 HydrophobicContact CG-CD1 4.45Å; L435-I467 WeakPolarHBondContact O-CA 3.01Å; L435-I467 WeakPolarHBondContact O-CB 3.24Å; L435-I467 PolarHBondContact O-N 3.19Å; M436-I467 VanDerWaalsContact O-CD1 3.31Å; M436-I467 WeakPolarHBondContact O-CD1 3.35Å; M439-I467 HydrophobicContact CE-CD1 3.87Å
468T97.8Very high95.4Very high0 Ų031 Ų310%017%0.165CC..EExtended strand (participates in β ladder)trans-156.3150.8175-174.90000113P225 Q231 V395 L435 L466P225-T468 HydrophobicContact CB-CG2 4.32Å; P225-T468 WeakPolarHBondContact O-CG2 3.25Å; Q231-T468 VanDerWaalsContact NE2-CG2 3.27Å; V395-T468 CarbonylContact O-C 3.6Å; V395-T468 WeakPolarHBondContact O-CA 3.5Å; V395-T468 WeakPolarHBondContact O-CB 3.4Å; V395-T468 PolarHBondContact O-OG1 3.47Å; L435-T468 HydrophobicContact CB-CG2 3.83Å; L435-T468 HydrophobicContact CD2-CG2 4.45Å; L435-T468 PolarHBondContact N-O 3.2Å; L435-T468 PolarHBondContact O-N 3.18Å; L466-T468 WeakPolarHBondContact CD1-O 3.5Å
469A98.2Very high95.1Very high0 Ų030.7 Ų30.70%017%0.168CC..EExtended strand (participates in β ladder)trans-124.2129.3161.400000107.9A394 V395 F419 S433 V434 M457 L466A394-A469 CarbonylContact C-O 3.59Å; A394-A469 WeakPolarHBondContact CA-O 3.43Å; V395-A469 PolarHBondContact N-O 3.14Å; V395-A469 PolarHBondContact O-N 3.19Å; F419-A469 HydrophobicContact CE1-CB 3.99Å; F419-A469 HydrophobicContact CE2-CB 3.81Å; F419-A469 HydrophobicContact CZ-CB 3.46Å; F419-A469 VanDerWaalsContact CZ-CB 3.46Å; S433-A469 CarbonylContact O-C 3.5Å; S433-A469 WeakPolarHBondContact O-CA 3.5Å; V434-A469 HydrophobicContact CG2-CB 4.43Å; M457-A469 HydrophobicContact CE-CB 4.02Å; L466-A469 HydrophobicContact CD1-CB 4.27Å; L466-A469 HydrophobicContact CD2-CB 4.37Å
470C98Very high95Very high1 Ų131.1 Ų31.11%0.00717%0.172CC..EExtended strand (participates in β ladder)trans-139.8140.1-170.6176.70000112L226 C393 A394 P432 S433L226-C470 HydrophobicContact CD2-CB 4.26Å; C393-C470 CarbonylContact O-C 3.56Å; C393-C470 WeakPolarHBondContact O-CA 3.42Å; A394-C470 HydrophobicContact CB-CB 4.12Å; P432-C470 CarbonylContact C-O 3.36Å; P432-C470 WeakPolarHBondContact CA-O 3.01Å; S433-C470 PolarHBondContact N-O 3.17Å; S433-C470 PolarHBondContact O-N 3.19Å
471L98.7Very high95Very high0 Ų030.5 Ų30.50%017%0.166CC..EExtended strand (participates in β ladder)trans-107.8104.5161.8-62.4176.9000107.6C393 L421 F425 V430 P432 V455 M457C393-L471 HydrophobicContact CB-CB 4.19Å; C393-L471 PolarHBondContact N-O 2.99Å; C393-L471 PolarHBondContact O-N 3.21Å; L421-L471 HydrophobicContact CD2-CG 4.19Å; L421-L471 HydrophobicContact CG-CD1 4.27Å; L421-L471 HydrophobicContact CG-CG 4.4Å; F425-L471 HydrophobicContact CE2-CB 4.05Å; F425-L471 HydrophobicContact CE2-CD1 3.99Å; F425-L471 HydrophobicContact CZ-CB 3.52Å; F425-L471 HydrophobicContact CZ-CD1 4.24Å; V430-L471 HydrophobicContact CG1-CB 4.06Å; V430-L471 HydrophobicContact CG1-CD2 4.42Å; P432-L471 HydrophobicContact CB-CD2 3.74Å; V455-L471 HydrophobicContact CB-CD1 4.44Å; V455-L471 HydrophobicContact CG1-CD1 4.27Å; V455-L471 HydrophobicContact CG1-CD2 3.96Å; M457-L471 HydrophobicContact CB-CD2 3.93Å; M457-L471 HydrophobicContact CE-CD2 4.31Å; M457-L471 HydrophobicContact SD-CD2 4.45Å
472Y98.6Very high95.3Very high8 Ų825.4 Ų25.43%0.03114%0.138CC..EExtended strand (participates in β ladder)trans-101105-175.6-166.2-78.5000110.3L226 L227 F232 V390 V392 V430 Y431 R474L226-Y472 HydrophobicContact CB-CD2 4.48Å; L226-Y472 HydrophobicContact CB-CE2 4.41Å; L226-Y472 HydrophobicContact CD1-CD2 4.47Å; L226-Y472 HydrophobicContact CD1-CE2 4.26Å; L227-Y472 HydrophobicContact CD2-CE2 4.31Å; F232-Y472 AromaticContact CE2-CD1 3.77Å; F232-Y472 HydrophobicContact CE2-CD1 3.77Å; F232-Y472 AromaticContact CE2-CE1 3.98Å; F232-Y472 HydrophobicContact CE2-CE1 3.98Å; F232-Y472 HydrophobicContact CE2-CG 4.14Å; F232-Y472 HydrophobicContact CZ-CD1 4.47Å; F232-Y472 HydrophobicContact CZ-CE1 4.49Å; V390-Y472 HydrophobicContact CG1-CE1 3.93Å; V392-Y472 HydrophobicContact CG1-CD2 4.34Å; V392-Y472 HydrophobicContact CG2-CD2 3.8Å; V392-Y472 HydrophobicContact CG2-CE2 3.94Å; V392-Y472 HydrophobicContact CG2-CG 4.33Å; V430-Y472 WeakPolarHBondContact CA-O 3.35Å; Y431-Y472 HydrophobicContact CD2-CD1 4.33Å; Y431-Y472 WeakPolarHBondContact CD2-O 3.31Å; Y431-Y472 PolarHBondContact N-O 2.66Å; Y431-Y472 PolarHBondContact O-N 2.78Å; Y431-Y472 VanDerWaalsContact O-N 3.08Å; Y472-R474 HydrophobicContact CD1-CG 4.32Å; Y472-R474 HydrophobicContact CE1-CG 3.97Å
473G98.2Very high95.8Very high0 Ų026.7 Ų26.70%015%0.146CC..EExtended strand (participates in β ladder)trans-97.3129.3-179.600000112.5V390 Q391 Y429V390-G473 VanDerWaalsContact CA-O 3.29Å; V390-G473 WeakPolarHBondContact CA-O 3.39Å; Q391-G473 PolarHBondContact N-O 3.29Å; Q391-G473 VanDerWaalsContact O-CA 3.28Å; Q391-G473 WeakPolarHBondContact O-CA 3.37Å; Q391-G473 PolarHBondContact O-N 3.01Å; Y429-G473 WeakPolarHBondContact O-CA 3.27Å
474R98Very high96.4Very high0 Ų022.6 Ų22.60%012%0.119CC..EExtended strand (participates in β ladder)trans-101.1126.8173.1-75.2-69.5-74.6114.80.9111.5L197 A389 T427 Y429 Y431 Y472 Y476 D479L197-R474 VanDerWaalsContact O-CZ 3.3Å; L197-R474 PolarHBondContact O-NE 3.49Å; L197-R474 PolarHBondContact O-NH2 3.49Å; A389-R474 PolarHBondContact O-NH1 2.86Å; T427-R474 WeakPolarHBondContact CB-O 3.46Å; T427-R474 WeakPolarHBondContact CG2-O 3.29Å; T427-R474 PolarHBondContact OG1-O 3.5Å; Y429-R474 PolarHBondContact O-N 3.37Å; Y431-R474 HydrophobicContact CD2-CG 4.47Å; Y431-R474 HydrophobicContact CE2-CB 4.23Å; Y431-R474 HydrophobicContact CE2-CG 3.9Å; Y472-R474 HydrophobicContact CD1-CG 4.32Å; Y472-R474 HydrophobicContact CE1-CG 3.97Å; R474-Y476 HydrophobicContact CB-CD1 4.18Å; R474-Y476 HydrophobicContact CB-CD2 4.23Å; R474-Y476 HydrophobicContact CB-CE1 3.7Å; R474-Y476 HydrophobicContact CB-CE2 3.74Å; R474-Y476 HydrophobicContact CB-CG 4.43Å; R474-Y476 VanDerWaalsContact CB-CZ 3.45Å; R474-Y476 HydrophobicContact CG-CE1 4.11Å; R474-D479 IonicContact CZ-OD1 2.98Å; R474-D479 IonicContact CZ-OD2 2.65Å; R474-D479 IonicContact NH1-OD1 3.33Å; R474-D479 PolarHBondContact NH1-OD1 3.2Å; R474-D479 IonicContact NH1-OD2 2.65Å; R474-D479 PolarHBondContact NH1-OD2 3.42Å; R474-D479 IonicContact NH2-OD1 3.51Å; R474-D479 PolarHBondContact NH2-OD1 2.95Å; R474-D479 IonicContact NH2-OD2 3.48Å; R474-D479 PolarHBondContact NH2-OD2 3.06Å
475M96.9Very high96.7Very high6 Ų623 Ų233%0.0312%0.116CC..  trans-101.962.4179.4-63-67.5-65.800109.5A389 Q391 Q426 T427 Q477 L478A389-M475 HydrophobicContact CB-CB 3.74Å; A389-M475 PolarHBondContact O-N 3.31Å; Q391-M475 HydrophobicContact CG-CG 4.09Å; Q391-M475 HydrophobicContact CG-SD 4.28Å; Q426-M475 HydrophobicContact CB-CE 3.52Å; Q426-M475 HydrophobicContact CB-SD 3.95Å; T427-M475 VanDerWaalsContact CB-SD 3.51Å; T427-M475 HydrophobicContact CG2-CG 4.48Å; T427-M475 HydrophobicContact CG2-SD 3.57Å; T427-M475 VanDerWaalsContact CG2-SD 3.57Å; M475-Q477 VanDerWaalsContact C-OE1 3.25Å; M475-Q477 VanDerWaalsContact CE-NE2 3.28Å; M475-Q477 PolarHBondContact O-N 2.94Å; M475-L478 HydrophobicContact CB-CB 4.34Å; M475-L478 HydrophobicContact CB-CD1 3.94Å; M475-L478 HydrophobicContact CB-CG 4.18Å; M475-L478 HydrophobicContact CE-CD1 3.78Å; M475-L478 HydrophobicContact CE-CG 4.42Å; M475-L478 HydrophobicContact CG-CD1 4.4Å; M475-L478 WeakPolarHBondContact O-CB 3.32Å; M475-L478 PolarHBondContact O-N 2.68Å
476Y96.6Very high96.8Very high18 Ų1824.4 Ų24.47%0.07112%0.121CC..G310 helixtrans-52.1-31.5-171.3-62.2-64.2000114.7L197 F198 H199 V203 Y429 Y431 R474 L478 D479L197-Y476 WeakPolarHBondContact O-CE1 3.48Å; F198-Y476 VanDerWaalsContact C-CE1 3.42Å; H199-Y476 HydrophobicContact CB-CD1 3.88Å; H199-Y476 HydrophobicContact CB-CD2 4.47Å; H199-Y476 HydrophobicContact CB-CG 3.85Å; V203-Y476 HydrophobicContact CG2-CD2 4.36Å; V203-Y476 HydrophobicContact CG2-CE2 3.66Å; Y429-Y476 AromaticContact CD1-CE2 3.98Å; Y429-Y476 HydrophobicContact CD1-CE2 3.98Å; Y429-Y476 AromaticContact CD2-CD2 3.41Å; Y429-Y476 HydrophobicContact CD2-CD2 3.41Å; Y429-Y476 VanDerWaalsContact CD2-CD2 3.41Å; Y429-Y476 AromaticContact CD2-CE2 3.6Å; Y429-Y476 HydrophobicContact CD2-CE2 3.6Å; Y429-Y476 AromaticContact CE2-CD2 3.82Å; Y429-Y476 HydrophobicContact CE2-CD2 3.82Å; Y429-Y476 HydrophobicContact CE2-CE2 4.25Å; Y429-Y476 AromaticContact CG-CD2 3.81Å; Y429-Y476 HydrophobicContact CG-CD2 3.81Å; Y429-Y476 AromaticContact CG-CE2 3.45Å; Y429-Y476 HydrophobicContact CG-CE2 3.45Å; Y429-Y476 VanDerWaalsContact CG-CE2 3.45Å; Y431-Y476 PolarHBondContact OH-OH 3.13Å; R474-Y476 HydrophobicContact CB-CD1 4.18Å; R474-Y476 HydrophobicContact CB-CD2 4.23Å; R474-Y476 HydrophobicContact CB-CE1 3.7Å; R474-Y476 HydrophobicContact CB-CE2 3.74Å; R474-Y476 HydrophobicContact CB-CG 4.43Å; R474-Y476 VanDerWaalsContact CB-CZ 3.45Å; R474-Y476 HydrophobicContact CG-CE1 4.11Å; Y476-L478 PolarHBondContact O-N 3.28Å; Y476-D479 PolarHBondContact O-N 3.04Å
477Q94.4Very high96.8Very high118 Ų11826.2 Ų26.255%0.55113%0.13SC*.G310 helixtrans-69.4-9.6178.570.6-81.718.400114.5M475M475-Q477 VanDerWaalsContact C-OE1 3.25Å; M475-Q477 VanDerWaalsContact CE-NE2 3.28Å; M475-Q477 PolarHBondContact O-N 2.94Å
478L94.9Very high96.8Very high98 Ų9828.3 Ų28.351%0.51314%0.141SC..G310 helixtrans-109.51.2-179.7-57.3-177000112.9A389 M475 Y476A389-L478 HydrophobicContact CB-CB 3.55Å; A389-L478 HydrophobicContact CB-CD1 4.44Å; M475-L478 HydrophobicContact CB-CB 4.34Å; M475-L478 HydrophobicContact CB-CD1 3.94Å; M475-L478 HydrophobicContact CB-CG 4.18Å; M475-L478 HydrophobicContact CE-CD1 3.78Å; M475-L478 HydrophobicContact CE-CG 4.42Å; M475-L478 HydrophobicContact CG-CD1 4.4Å; M475-L478 WeakPolarHBondContact O-CB 3.32Å; M475-L478 PolarHBondContact O-N 2.68Å; Y476-L478 PolarHBondContact O-N 3.28Å
479D91.1Very high96.7Very high91 Ų9130.9 Ų30.949%0.48715%0.154SC..  trans-67.50-177.6-71-15.5000113.7Y388 A389 R474 Y476Y388-D479 VanDerWaalsContact CA-OD1 3.3Å; Y388-D479 WeakPolarHBondContact CA-OD1 3.34Å; A389-D479 PolarHBondContact N-OD1 2.88Å; R474-D479 IonicContact CZ-OD1 2.98Å; R474-D479 IonicContact CZ-OD2 2.65Å; R474-D479 IonicContact NH1-OD1 3.33Å; R474-D479 PolarHBondContact NH1-OD1 3.2Å; R474-D479 IonicContact NH1-OD2 2.65Å; R474-D479 PolarHBondContact NH1-OD2 3.42Å; R474-D479 IonicContact NH2-OD1 3.51Å; R474-D479 PolarHBondContact NH2-OD1 2.95Å; R474-D479 IonicContact NH2-OD2 3.48Å; R474-D479 PolarHBondContact NH2-OD2 3.06Å; Y476-D479 PolarHBondContact O-N 3.04Å

Retrieved 479 of 479 residues in 1018.4 ms (Link to these results)

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