A0A077ZF16_TRITR Loading...

MttA Hcf106 and CN hydrolase domain containing pr otein

AlphaFold DB , UniProt , Accession A0A077ZF16, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 313 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
1M97Very high98.2Very high41 Ų4115.1 Ų15.120%0.2029%0.091CC..  0158.2069.9173.9173.300110V3 L35 V137 E138 M140 I166 V236M1-V3 HydrophobicContact CE-CG1 3.97Å; M1-V3 HydrophobicContact CG-CG1 4.17Å; M1-L35 HydrophobicContact CE-CB 4.41Å; M1-L35 HydrophobicContact CE-CD2 4.32Å; M1-V137 HydrophobicContact CE-CB 4.48Å; M1-V137 HydrophobicContact SD-CB 4.39Å; M1-V137 HydrophobicContact SD-CG1 3.94Å; M1-E138 HydrophobicContact CB-CB 4.3Å; M1-E138 WeakPolarHBondContact CB-OE2 3.14Å; M1-E138 HydrophobicContact SD-CB 4.05Å; M1-M140 HydrophobicContact CE-CB 4.01Å; M1-M140 HydrophobicContact CE-CG 4.43Å; M1-M140 HydrophobicContact CE-SD 4.02Å; M1-M140 HydrophobicContact CG-SD 4.45Å; M1-I166 HydrophobicContact CE-CD1 3.08Å; M1-V236 HydrophobicContact CE-CG2 3.88Å; M1-V236 HydrophobicContact CG-CG2 3.52Å; M1-V236 PolarHBondContact N-O 2.78Å; M1-V236 PolarHBondContact O-N 3.36Å
2L98.5Very high98.1Very high40 Ų4019.1 Ų19.121%0.20912%0.12CC..EExtended strand (participates in β ladder)trans-92.1132173.1-16973.2000109.6N31 V33 S34 M233 E235L2-N31 HydrophobicContact CD2-CB 4.32Å; L2-N31 WeakPolarHBondContact CD2-O 3.31Å; L2-V33 HydrophobicContact CD2-CG2 3.74Å; L2-V33 HydrophobicContact CG-CG2 4.17Å; L2-S34 PolarHBondContact O-N 3.34Å; L2-M233 HydrophobicContact CD1-CB 4.36Å; L2-M233 HydrophobicContact CD2-SD 4.06Å; L2-E235 HydrophobicContact CD1-CG 4.02Å
3V98.9Very high98.1Very high0 Ų022.9 Ų22.90%014%0.143CC..EExtended strand (participates in β ladder)trans-119.1152.7175.5-49.10000110.3M1 L35 V199 I214 M233 A234 V236M1-V3 HydrophobicContact CE-CG1 3.97Å; M1-V3 HydrophobicContact CG-CG1 4.17Å; V3-L35 CarbonylContact C-O 3.54Å; V3-L35 VanDerWaalsContact CA-O 3.27Å; V3-L35 WeakPolarHBondContact CA-O 3.32Å; V3-L35 HydrophobicContact CB-CB 4.34Å; V3-L35 HydrophobicContact CG1-CB 3.97Å; V3-L35 HydrophobicContact CG1-CD2 4.35Å; V3-V199 HydrophobicContact CB-CG2 4.29Å; V3-V199 HydrophobicContact CG2-CG1 4.48Å; V3-V199 HydrophobicContact CG2-CG2 3.73Å; V3-I214 HydrophobicContact CG2-CD1 3.91Å; V3-I214 HydrophobicContact CG2-CG2 4.15Å; V3-M233 VanDerWaalsContact O-CA 3.26Å; V3-M233 WeakPolarHBondContact O-CA 3.39Å; V3-A234 PolarHBondContact N-O 2.93Å; V3-A234 PolarHBondContact O-N 3.32Å; V3-V236 HydrophobicContact CG1-CB 4.43Å; V3-V236 HydrophobicContact CG1-CG1 4.04Å; V3-V236 HydrophobicContact CG1-CG2 3.51Å; V3-V236 HydrophobicContact CG2-CG1 3.7Å
4A98.9Very high98Very high0 Ų025 Ų250%015%0.147CC..EExtended strand (participates in β ladder)trans-13815317900000113.2V33 L35 F36 V37 L231 I232 M233A4-V33 HydrophobicContact CB-CB 4.46Å; A4-V33 HydrophobicContact CB-CG1 3.79Å; A4-V33 HydrophobicContact CB-CG2 3.81Å; A4-L35 PolarHBondContact N-O 2.91Å; A4-F36 HydrophobicContact CB-CD2 3.75Å; A4-F36 HydrophobicContact CB-CE2 4.32Å; A4-F36 WeakPolarHBondContact O-CA 3.38Å; A4-V37 PolarHBondContact O-N 3.13Å; A4-L231 HydrophobicContact CB-CD1 4.03Å; A4-I232 CarbonylContact C-O 3.51Å; A4-I232 WeakPolarHBondContact CA-O 3.46Å; A4-I232 WeakPolarHBondContact CB-O 3.31Å; A4-M233 HydrophobicContact CB-CG 3.86Å
5A98.9Very high98Very high0 Ų028 Ų280%016%0.159CC..EExtended strand (participates in β ladder)trans-125.7125170.300000110.1V37 V199 A201 I232A5-V37 CarbonylContact C-O 3.58Å; A5-V37 WeakPolarHBondContact CA-O 3.32Å; A5-V199 HydrophobicContact CB-CG1 4.25Å; A5-A201 HydrophobicContact CB-CB 4.15Å; A5-I232 HydrophobicContact CB-CD1 4.2Å; A5-I232 HydrophobicContact CB-CG1 3.85Å; A5-I232 PolarHBondContact N-O 2.94Å; A5-I232 PolarHBondContact O-N 3.24Å
6G98.8Very high98.1Very high0 Ų033.3 Ų33.30%018%0.179CC..EExtended strand (participates in β ladder)trans-93138.2177.200000110.6F36 V37 P39G6-F36 VanDerWaalsContact N-CE2 3.32Å; G6-V37 PolarHBondContact N-O 3.49Å; G6-P39 WeakPolarHBondContact O-CD 3.22Å; G6-P39 WeakPolarHBondContact O-CG 3.26Å
7Q98.8Very high98.1Very high1 Ų131.3 Ų31.31%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-129.4126.9178.3173.3162.4-57.500109.1G202 C204 G210 S212 S226 M228 P229 A230Q7-G202 VanDerWaalsContact CG-O 3.28Å; Q7-G202 WeakPolarHBondContact CG-O 3.49Å; Q7-C204 HydrophobicContact CG-CB 3.73Å; Q7-G210 VanDerWaalsContact OE1-CA 3.23Å; Q7-S212 PolarHBondContact OE1-OG 2.9Å; Q7-S226 PolarHBondContact NE2-O 2.96Å; Q7-M228 PolarHBondContact NE2-O 2.66Å; Q7-P229 CarbonylContact O-C 3.56Å; Q7-P229 WeakPolarHBondContact O-CA 3.17Å; Q7-A230 HydrophobicContact CB-CB 4.4Å; Q7-A230 PolarHBondContact N-O 3.24Å; Q7-A230 PolarHBondContact O-N 2.67Å
8F98.5Very high98.1Very high6 Ų629.6 Ų29.63%0.02616%0.159CC..  trans-156.3168.6171.871.9-81.1000110.5V10 I20 L24 L38 P39 L42 E203 C204 P229F8-V10 HydrophobicContact CE2-CG2 4.01Å; F8-V10 HydrophobicContact CZ-CG2 4.22Å; F8-I20 HydrophobicContact CB-CG2 4.08Å; F8-I20 HydrophobicContact CD1-CG2 4.06Å; F8-I20 HydrophobicContact CD2-CB 4.34Å; F8-I20 HydrophobicContact CD2-CD1 4.15Å; F8-I20 HydrophobicContact CD2-CG2 3.63Å; F8-I20 HydrophobicContact CE1-CG2 4.37Å; F8-I20 HydrophobicContact CE2-CB 4.33Å; F8-I20 HydrophobicContact CE2-CD1 4.4Å; F8-I20 HydrophobicContact CE2-CG2 3.98Å; F8-I20 HydrophobicContact CG-CG2 3.66Å; F8-I20 HydrophobicContact CZ-CG2 4.33Å; F8-L24 HydrophobicContact CD1-CD1 3.86Å; F8-L24 HydrophobicContact CE1-CD1 4.43Å; F8-L38 HydrophobicContact CE1-CD2 4.34Å; F8-P39 HydrophobicContact CD1-CG 4.24Å; F8-P39 HydrophobicContact CE1-CG 4.29Å; F8-L42 HydrophobicContact CE1-CD2 3.87Å; F8-L42 HydrophobicContact CZ-CD2 3.71Å; F8-E203 WeakPolarHBondContact O-CG 3.37Å; F8-C204 PolarHBondContact O-N 3.33Å; F8-C204 VanDerWaalsContact O-N 3.08Å; F8-P229 HydrophobicContact CB-CB 4.43Å
9A97.5Very high98.1Very high36 Ų3633.8 Ų33.830%0.29818%0.178SC..PPolyproline II helixtrans-90.5120.3174.300000110T11 E203 C204A9-T11 PolarHBondContact O-N 2.95Å; A9-E203 VanDerWaalsContact CA-OE1 3.31Å; A9-E203 WeakPolarHBondContact CA-OE1 3.25Å; A9-C204 WeakPolarHBondContact CA-O 3.32Å; A9-C204 WeakPolarHBondContact CB-O 3.35Å; A9-C204 PolarHBondContact N-SG 2.66Å
10V97.6Very high98.2Very high9 Ų934.6 Ų34.66%0.05518%0.182CC..PPolyproline II helixtrans-71.3127.41771750000109F8 N17 L42 R45 E203F8-V10 HydrophobicContact CE2-CG2 4.01Å; F8-V10 HydrophobicContact CZ-CG2 4.22Å; V10-N17 WeakPolarHBondContact CG1-ND2 3.35Å; V10-L42 HydrophobicContact CG2-CD2 3.75Å; V10-R45 HydrophobicContact CB-CB 4.36Å; V10-R45 HydrophobicContact CG1-CB 3.96Å; V10-E203 HydrophobicContact CB-CG 4.23Å; V10-E203 HydrophobicContact CG2-CG 3.67Å; V10-E203 PolarHBondContact N-OE1 2.86Å
11T97.3Very high98.2Very high33 Ų3332.9 Ų32.920%0.20217%0.173CC..PPolyproline II helixtrans-92.7173.7179.676.50000111.6A9 V13 K16 N17 A44 R45A9-T11 PolarHBondContact O-N 2.95Å; T11-V13 PolarHBondContact O-N 3.44Å; T11-V13 PolarHBondContact OG1-N 3.34Å; T11-V13 PolarHBondContact OG1-O 3.03Å; T11-K16 HydrophobicContact CG2-CD 4Å; T11-K16 HydrophobicContact CG2-CG 4.48Å; T11-N17 WeakPolarHBondContact CB-OD1 3.38Å; T11-N17 PolarHBondContact N-OD1 2.87Å; T11-N17 PolarHBondContact O-ND2 2.85Å; T11-N17 PolarHBondContact OG1-OD1 2.88Å; T11-A44 CarbonylContact O-C 3.43Å; T11-A44 VanDerWaalsContact O-CA 3.29Å; T11-A44 WeakPolarHBondContact O-CA 3.39Å; T11-R45 CarbonylContact C-O 3.58Å; T11-R45 PolarHBondContact O-N 3.48Å
12S97Very high98.2Very high63 Ų6332 Ų3244%0.44117%0.172SC..SBendtrans-76.1-5.117653.30000114.3R45S12-R45 VanDerWaalsContact CA-O 3.3Å; S12-R45 WeakPolarHBondContact CA-O 3.49Å; S12-R45 PolarHBondContact N-O 2.94Å
13V97.3Very high98.2Very high69 Ų6933 Ų3342%0.41818%0.183SC..  trans-116.4113.6-175.1-177.50000109.8T11 E15 K16 N17T11-V13 PolarHBondContact O-N 3.44Å; T11-V13 PolarHBondContact OG1-N 3.34Å; T11-V13 PolarHBondContact OG1-O 3.03Å; V13-E15 VanDerWaalsContact C-N 3.31Å; V13-E15 HydrophobicContact CG1-CB 4.32Å; V13-E15 VanDerWaalsContact CG1-OE2 3.22Å; V13-E15 WeakPolarHBondContact CG1-OE2 3.32Å; V13-E15 PolarHBondContact O-N 3.48Å; V13-K16 HydrophobicContact CB-CB 4.29Å; V13-K16 HydrophobicContact CG1-CB 4.38Å; V13-K16 PolarHBondContact O-N 3.27Å; V13-N17 PolarHBondContact O-N 3.12Å; V13-N17 PolarHBondContact O-ND2 3.32Å
14W97.5Very high98.2Very high52 Ų5233.9 Ų33.920%0.19719%0.187CC..Hα-helixtrans-67.6-30.3-172.972.8-92.6000113.1K16 N17 A18 L43 Q58 E63 F64W14-K16 VanDerWaalsContact C-N 3.34Å; W14-K16 PolarHBondContact O-N 2.86Å; W14-N17 PolarHBondContact O-N 3.42Å; W14-A18 WeakPolarHBondContact O-CB 3.4Å; W14-A18 PolarHBondContact O-N 3.35Å; W14-L43 WeakPolarHBondContact CA-O 3.2Å; W14-L43 HydrophobicContact CB-CD2 4.48Å; W14-L43 WeakPolarHBondContact CB-O 3.46Å; W14-Q58 VanDerWaalsContact CD2-NE2 3.27Å; W14-E63 HydrophobicContact CH2-CB 3.32Å; W14-E63 HydrophobicContact CH2-CG 4.35Å; W14-E63 HydrophobicContact CZ2-CB 4.11Å; W14-E63 HydrophobicContact CZ3-CB 3.82Å; W14-F64 HydrophobicContact CB-CD2 4.36Å; W14-F64 HydrophobicContact CE3-CB 3.8Å; W14-F64 HydrophobicContact CE3-CD2 4.06Å; W14-F64 HydrophobicContact CE3-CG 4.44Å; W14-F64 HydrophobicContact CZ3-CB 4.21Å
15E98.3Very high98.2Very high70 Ų7033.9 Ų33.933%0.32719%0.187SC..Hα-helixtrans-61.4-44.9176.5-65.684.8166.100110.9V13 A18 E19V13-E15 VanDerWaalsContact C-N 3.31Å; V13-E15 HydrophobicContact CG1-CB 4.32Å; V13-E15 VanDerWaalsContact CG1-OE2 3.22Å; V13-E15 WeakPolarHBondContact CG1-OE2 3.32Å; V13-E15 PolarHBondContact O-N 3.48Å; E15-A18 PolarHBondContact O-N 3.29Å; E15-E19 WeakPolarHBondContact O-CG 3.27Å; E15-E19 PolarHBondContact O-N 2.89Å
16K98.3Very high98.2Very high112 Ų11235.2 Ų35.249%0.48720%0.198SC..Hα-helixtrans-65.1-41.5176.9179.9173.7177.4179.90111.3T11 V13 W14 A18 E19 I20T11-K16 HydrophobicContact CG2-CD 4Å; T11-K16 HydrophobicContact CG2-CG 4.48Å; V13-K16 HydrophobicContact CB-CB 4.29Å; V13-K16 HydrophobicContact CG1-CB 4.38Å; V13-K16 PolarHBondContact O-N 3.27Å; W14-K16 VanDerWaalsContact C-N 3.34Å; W14-K16 PolarHBondContact O-N 2.86Å; K16-A18 VanDerWaalsContact C-N 3.33Å; K16-E19 PolarHBondContact O-N 3.33Å; K16-I20 HydrophobicContact CG-CD1 4.2Å; K16-I20 WeakPolarHBondContact O-CG1 3.3Å; K16-I20 PolarHBondContact O-N 3.29Å
17N98.5Very high98.1Very high0 Ų039 Ų390%022%0.216CC..Hα-helixtrans-64.7-39.6176.8-61.1-28.3000111.3V10 T11 V13 W14 I20 C21 L42 L43 F64V10-N17 WeakPolarHBondContact CG1-ND2 3.35Å; T11-N17 WeakPolarHBondContact CB-OD1 3.38Å; T11-N17 PolarHBondContact N-OD1 2.87Å; T11-N17 PolarHBondContact O-ND2 2.85Å; T11-N17 PolarHBondContact OG1-OD1 2.88Å; V13-N17 PolarHBondContact O-N 3.12Å; V13-N17 PolarHBondContact O-ND2 3.32Å; W14-N17 PolarHBondContact O-N 3.42Å; N17-I20 PolarHBondContact O-N 2.84Å; N17-C21 PolarHBondContact O-N 2.86Å; N17-C21 PolarHBondContact O-SG 3.34Å; N17-L42 WeakPolarHBondContact CB-O 3.48Å; N17-L42 PolarHBondContact ND2-O 2.85Å; N17-L43 PolarHBondContact ND2-O 2.99Å; N17-F64 HydrophobicContact CB-CE2 4.09Å
18A98.6Very high98.1Very high0 Ų038.9 Ų38.90%022%0.215CC..Hα-helixtrans-64.4-38.6175.300000112.3W14 E15 K16 C21 A22 F64 R67 L68W14-A18 WeakPolarHBondContact O-CB 3.4Å; W14-A18 PolarHBondContact O-N 3.35Å; E15-A18 PolarHBondContact O-N 3.29Å; K16-A18 VanDerWaalsContact C-N 3.33Å; A18-C21 PolarHBondContact O-N 3.47Å; A18-A22 WeakPolarHBondContact O-CB 3.31Å; A18-A22 PolarHBondContact O-N 2.87Å; A18-F64 HydrophobicContact CB-CD2 3.71Å; A18-F64 HydrophobicContact CB-CE2 3.85Å; A18-F64 HydrophobicContact CB-CG 4.37Å; A18-R67 HydrophobicContact CB-CB 4.24Å; A18-L68 HydrophobicContact CB-CD1 4.08Å
19E98.4Very high98.1Very high110 Ų11039.9 Ų39.951%0.51423%0.225SC..Hα-helixtrans-64.1-43.7174.4-75.6166.6-167.800112.2E15 K16 A22 S23 R67E15-E19 WeakPolarHBondContact O-CG 3.27Å; E15-E19 PolarHBondContact O-N 2.89Å; K16-E19 PolarHBondContact O-N 3.33Å; E19-A22 PolarHBondContact O-N 3.01Å; E19-S23 WeakPolarHBondContact O-CB 3.16Å; E19-S23 PolarHBondContact O-N 2.85Å; E19-R67 IonicContact OE1-NH1 3.34Å; E19-R67 PolarHBondContact OE1-NH1 3.37Å; E19-R67 VanDerWaalsContact OE1-NH1 3.15Å
20I98.6Very high98.1Very high49 Ų4945.4 Ų45.425%0.25124%0.244SC..Hα-helixtrans-61.3-46.7174.2-66.2163.6000110.5F8 K16 N17 A22 S23 L24F8-I20 HydrophobicContact CB-CG2 4.08Å; F8-I20 HydrophobicContact CD1-CG2 4.06Å; F8-I20 HydrophobicContact CD2-CB 4.34Å; F8-I20 HydrophobicContact CD2-CD1 4.15Å; F8-I20 HydrophobicContact CD2-CG2 3.63Å; F8-I20 HydrophobicContact CE1-CG2 4.37Å; F8-I20 HydrophobicContact CE2-CB 4.33Å; F8-I20 HydrophobicContact CE2-CD1 4.4Å; F8-I20 HydrophobicContact CE2-CG2 3.98Å; F8-I20 HydrophobicContact CG-CG2 3.66Å; F8-I20 HydrophobicContact CZ-CG2 4.33Å; K16-I20 HydrophobicContact CG-CD1 4.2Å; K16-I20 WeakPolarHBondContact O-CG1 3.3Å; K16-I20 PolarHBondContact O-N 3.29Å; N17-I20 PolarHBondContact O-N 2.84Å; I20-A22 PolarHBondContact O-N 2.85Å; I20-S23 PolarHBondContact O-N 2.8Å; I20-L24 HydrophobicContact CG2-CD1 4.07Å; I20-L24 HydrophobicContact CG2-CG 4.49Å; I20-L24 WeakPolarHBondContact O-CG 3.46Å; I20-L24 PolarHBondContact O-N 3.36Å
21C98.7Very high98.1Very high0 Ų049 Ų490%026%0.263CS..Hα-helixtrans-59.3-47.6177.7-67.50000111.6N17 A18 S23 L24 M25 L38 L68N17-C21 PolarHBondContact O-N 2.86Å; N17-C21 PolarHBondContact O-SG 3.34Å; A18-C21 PolarHBondContact O-N 3.47Å; C21-S23 VanDerWaalsContact C-N 3.33Å; C21-S23 PolarHBondContact O-N 3.06Å; C21-L24 PolarHBondContact O-N 3.38Å; C21-M25 WeakPolarHBondContact O-CB 3.42Å; C21-M25 VanDerWaalsContact O-CG 3.25Å; C21-M25 WeakPolarHBondContact O-CG 3.4Å; C21-M25 PolarHBondContact O-N 2.8Å; C21-L38 HydrophobicContact CB-CD1 4.08Å; C21-L68 HydrophobicContact CB-CD1 3.88Å; C21-L68 HydrophobicContact CB-CD2 4Å; C21-L68 HydrophobicContact CB-CG 4.07Å
22A98.3Very high98.1Very high22 Ų2254 Ų5418%0.18229%0.289CS..Hα-helixtrans-62.6-39.8178.400000112A18 E19 I20 M25 A26 E71A18-A22 WeakPolarHBondContact O-CB 3.31Å; A18-A22 PolarHBondContact O-N 2.87Å; E19-A22 PolarHBondContact O-N 3.01Å; I20-A22 PolarHBondContact O-N 2.85Å; A22-M25 PolarHBondContact O-N 3.31Å; A22-A26 PolarHBondContact O-N 2.92Å; A22-E71 HydrophobicContact CB-CB 4.34Å; A22-E71 HydrophobicContact CB-CG 4.31Å
23S98.3Very high98.2Very high62 Ų6251.3 Ų51.343%0.43427%0.27SS..Hα-helixtrans-63.7-42.2175179.50000112.4E19 I20 C21 A26 Q27E19-S23 WeakPolarHBondContact O-CB 3.16Å; E19-S23 PolarHBondContact O-N 2.85Å; I20-S23 PolarHBondContact O-N 2.8Å; C21-S23 VanDerWaalsContact C-N 3.33Å; C21-S23 PolarHBondContact O-N 3.06Å; S23-A26 PolarHBondContact O-N 2.81Å; S23-Q27 WeakPolarHBondContact O-CG 3.28Å; S23-Q27 PolarHBondContact O-N 2.89Å; S23-Q27 PolarHBondContact O-NE2 3.5Å; S23-Q27 PolarHBondContact OG-NE2 3.22Å
24L98.6Very high98.2Very high17 Ų1748.5 Ų48.59%0.08925%0.253CS..Hα-helixtrans-67.5-37.4175.7-71.6171.8000112F8 I20 C21 Q27 A28 F36 L38 L231F8-L24 HydrophobicContact CD1-CD1 3.86Å; F8-L24 HydrophobicContact CE1-CD1 4.43Å; I20-L24 HydrophobicContact CG2-CD1 4.07Å; I20-L24 HydrophobicContact CG2-CG 4.49Å; I20-L24 WeakPolarHBondContact O-CG 3.46Å; I20-L24 PolarHBondContact O-N 3.36Å; C21-L24 PolarHBondContact O-N 3.38Å; L24-Q27 PolarHBondContact O-N 3.32Å; L24-A28 WeakPolarHBondContact O-CB 3.35Å; L24-A28 PolarHBondContact O-N 3.48Å; L24-F36 HydrophobicContact CB-CE1 4.1Å; L24-F36 HydrophobicContact CB-CZ 3.79Å; L24-L38 HydrophobicContact CB-CD2 4.39Å; L24-L38 HydrophobicContact CD1-CD2 3.88Å; L24-L231 HydrophobicContact CD2-CB 4.39Å
25M98.7Very high98.3Very high0 Ų046 Ų460%024%0.243CC..Hα-helixtrans-61.7-43173.7-72.7171.46700111.5C21 A22 A28 A29 F36 L68 E71 M77 T79C21-M25 WeakPolarHBondContact O-CB 3.42Å; C21-M25 VanDerWaalsContact O-CG 3.25Å; C21-M25 WeakPolarHBondContact O-CG 3.4Å; C21-M25 PolarHBondContact O-N 2.8Å; A22-M25 PolarHBondContact O-N 3.31Å; M25-A28 PolarHBondContact O-N 2.9Å; M25-A29 WeakPolarHBondContact O-CB 3.3Å; M25-A29 PolarHBondContact O-N 3.26Å; M25-F36 HydrophobicContact CG-CD1 4.03Å; M25-F36 HydrophobicContact CG-CE1 3.92Å; M25-L68 WeakPolarHBondContact CE-O 3.4Å; M25-L68 HydrophobicContact SD-CB 4.13Å; M25-L68 HydrophobicContact SD-CD2 4.32Å; M25-L68 HydrophobicContact SD-CG 3.83Å; M25-E71 HydrophobicContact CB-CG 3.92Å; M25-E71 HydrophobicContact CE-CB 4.05Å; M25-E71 HydrophobicContact CE-CG 4.22Å; M25-E71 HydrophobicContact SD-CB 4.46Å; M25-M77 HydrophobicContact CB-CE 4.23Å; M25-M77 HydrophobicContact CG-CE 4.42Å; M25-T79 HydrophobicContact CE-CG2 4.31Å; M25-T79 HydrophobicContact CG-CG2 4.04Å; M25-T79 HydrophobicContact SD-CG2 4.12Å
26A98.1Very high98.3Very high29 Ų2942.7 Ų42.724%0.2423%0.228CC..Hα-helixtrans-62.9-47.2175.900000111.6A22 S23 A28 A29 E30A22-A26 PolarHBondContact O-N 2.92Å; S23-A26 PolarHBondContact O-N 2.81Å; A26-A28 PolarHBondContact O-N 3.2Å; A26-A29 PolarHBondContact O-N 2.98Å; A26-E30 WeakPolarHBondContact O-CG 3.43Å; A26-E30 PolarHBondContact O-N 2.84Å
27Q98.2Very high98.4Very high78 Ų7837.3 Ų37.336%0.36421%0.205SC..Hα-helixtrans-60.8-41.1176.9-73.2171.369.100112.9S23 L24 E30 N31 L231S23-Q27 WeakPolarHBondContact O-CG 3.28Å; S23-Q27 PolarHBondContact O-N 2.89Å; S23-Q27 PolarHBondContact O-NE2 3.5Å; S23-Q27 PolarHBondContact OG-NE2 3.22Å; L24-Q27 PolarHBondContact O-N 3.32Å; Q27-E30 PolarHBondContact O-N 3.4Å; Q27-N31 PolarHBondContact O-ND2 3.28Å; Q27-L231 HydrophobicContact CB-CD2 3.82Å
28A98.6Very high98.4Very high0 Ų037.3 Ų37.30%021%0.205CC..Hα-helixtrans-65.7-42.2175.300000111.3L24 M25 A26 E30 N31 V33 F36 M77L24-A28 WeakPolarHBondContact O-CB 3.35Å; L24-A28 PolarHBondContact O-N 3.48Å; M25-A28 PolarHBondContact O-N 2.9Å; A26-A28 PolarHBondContact O-N 3.2Å; A28-E30 VanDerWaalsContact C-N 3.34Å; A28-E30 PolarHBondContact O-N 3.48Å; A28-N31 PolarHBondContact O-N 3.37Å; A28-N31 VanDerWaalsContact O-N 3.13Å; A28-V33 HydrophobicContact CB-CB 4.08Å; A28-V33 HydrophobicContact CB-CG1 4.42Å; A28-V33 HydrophobicContact CB-CG2 4.04Å; A28-V33 VanDerWaalsContact O-CB 3.3Å; A28-V33 WeakPolarHBondContact O-CB 3.18Å; A28-V33 WeakPolarHBondContact O-CG2 3.34Å; A28-V33 PolarHBondContact O-N 3.41Å; A28-F36 HydrophobicContact CB-CD1 4.29Å; A28-F36 HydrophobicContact CB-CD2 4.2Å; A28-F36 HydrophobicContact CB-CE2 4.47Å; A28-F36 HydrophobicContact CB-CG 4.11Å; A28-M77 HydrophobicContact CB-CE 4.03Å; A28-M77 HydrophobicContact CB-SD 3.75Å
29A97.8Very high98.4Very high27 Ų2737.3 Ų37.322%0.22321%0.205CC..Hα-helixtrans-64.4-35.4177.100000113M25 A26 N31 D32 N75M25-A29 WeakPolarHBondContact O-CB 3.3Å; M25-A29 PolarHBondContact O-N 3.26Å; A26-A29 PolarHBondContact O-N 2.98Å; A29-N31 PolarHBondContact O-N 2.93Å; A29-D32 PolarHBondContact O-N 3.47Å; A29-D32 VanDerWaalsContact O-N 3.11Å; A29-N75 HydrophobicContact CB-CB 3.73Å
30E97.7Very high98.4Very high152 Ų15232.5 Ų32.571%0.7118%0.182SC*.Hα-helixtrans-61.6-20.3173.9-75.8171.3-174.600113.5A26 Q27 A28A26-E30 WeakPolarHBondContact O-CG 3.43Å; A26-E30 PolarHBondContact O-N 2.84Å; Q27-E30 PolarHBondContact O-N 3.4Å; A28-E30 VanDerWaalsContact C-N 3.34Å; A28-E30 PolarHBondContact O-N 3.48Å
31N97.8Very high98.3Very high84 Ų8430.8 Ų30.845%0.44918%0.175SC..THydrogen-bonded Turntrans-103.415.4178-70.3-90.5000112.6L2 Q27 A28 A29 V33 M233L2-N31 HydrophobicContact CD2-CB 4.32Å; L2-N31 WeakPolarHBondContact CD2-O 3.31Å; Q27-N31 PolarHBondContact O-ND2 3.28Å; A28-N31 PolarHBondContact O-N 3.37Å; A28-N31 VanDerWaalsContact O-N 3.13Å; A29-N31 PolarHBondContact O-N 2.93Å; N31-V33 HydrophobicContact CB-CG2 4.44Å; N31-V33 PolarHBondContact O-N 2.85Å; N31-M233 HydrophobicContact CB-CE 3.79Å; N31-M233 HydrophobicContact CB-SD 3.71Å
32D97.2Very high98.2Very high139 Ų13930.8 Ų30.874%0.74318%0.175SC*.THydrogen-bonded Turntrans57.534.6-178.9-59.4-54.2000113.6A29 S34A29-D32 PolarHBondContact O-N 3.47Å; A29-D32 VanDerWaalsContact O-N 3.11Å; D32-S34 PolarHBondContact O-N 2.8Å
33V98.6Very high98.2Very high6 Ų629.8 Ų29.84%0.03617%0.167CC..EExtended strand (participates in β ladder)trans-66.1130.1173.9173.30000110.4L2 A4 A28 N31 L35 F36 M77 M233L2-V33 HydrophobicContact CD2-CG2 3.74Å; L2-V33 HydrophobicContact CG-CG2 4.17Å; A4-V33 HydrophobicContact CB-CB 4.46Å; A4-V33 HydrophobicContact CB-CG1 3.79Å; A4-V33 HydrophobicContact CB-CG2 3.81Å; A28-V33 HydrophobicContact CB-CB 4.08Å; A28-V33 HydrophobicContact CB-CG1 4.42Å; A28-V33 HydrophobicContact CB-CG2 4.04Å; A28-V33 VanDerWaalsContact O-CB 3.3Å; A28-V33 WeakPolarHBondContact O-CB 3.18Å; A28-V33 WeakPolarHBondContact O-CG2 3.34Å; A28-V33 PolarHBondContact O-N 3.41Å; N31-V33 HydrophobicContact CB-CG2 4.44Å; N31-V33 PolarHBondContact O-N 2.85Å; V33-L35 VanDerWaalsContact CG1-O 3.25Å; V33-L35 WeakPolarHBondContact CG1-O 3.36Å; V33-F36 HydrophobicContact CG1-CB 4.1Å; V33-M77 HydrophobicContact CB-SD 3.76Å; V33-M77 HydrophobicContact CG1-CG 4.24Å; V33-M77 HydrophobicContact CG1-SD 3.6Å; V33-M77 VanDerWaalsContact CG1-SD 3.6Å; V33-M77 WeakPolarHBondContact O-CB 3.37Å; V33-M77 WeakPolarHBondContact O-CG 3.39Å; V33-M233 HydrophobicContact CG2-CE 4.11Å; V33-M233 HydrophobicContact CG2-SD 4.01Å
34S98.6Very high98.1Very high9 Ų926.8 Ų26.86%0.06315%0.146CC..EExtended strand (participates in β ladder)trans-91.2-35.4178.9-45.30000112.4L2 D32 T78 E138L2-S34 PolarHBondContact O-N 3.34Å; D32-S34 PolarHBondContact O-N 2.8Å; S34-T78 PolarHBondContact O-N 3.47Å; S34-E138 VanDerWaalsContact CB-CD 3.48Å; S34-E138 VanDerWaalsContact CB-OE1 3.25Å; S34-E138 WeakPolarHBondContact CB-OE1 3.49Å; S34-E138 PolarHBondContact OG-OE1 3.32Å; S34-E138 PolarHBondContact OG-OE2 3.3Å
35L98.8Very high97.9Very high0 Ų028 Ų280%015%0.149CC..EExtended strand (participates in β ladder)trans-130.7119.9179.5178.260.7000110.7M1 V3 A4 V33 T78 I80 V137 V142 I166 V168M1-L35 HydrophobicContact CE-CB 4.41Å; M1-L35 HydrophobicContact CE-CD2 4.32Å; V3-L35 CarbonylContact C-O 3.54Å; V3-L35 VanDerWaalsContact CA-O 3.27Å; V3-L35 WeakPolarHBondContact CA-O 3.32Å; V3-L35 HydrophobicContact CB-CB 4.34Å; V3-L35 HydrophobicContact CG1-CB 3.97Å; V3-L35 HydrophobicContact CG1-CD2 4.35Å; A4-L35 PolarHBondContact N-O 2.91Å; V33-L35 VanDerWaalsContact CG1-O 3.25Å; V33-L35 WeakPolarHBondContact CG1-O 3.36Å; L35-T78 WeakPolarHBondContact CA-O 3.41Å; L35-T78 HydrophobicContact CD1-CG2 4.19Å; L35-I80 HydrophobicContact CD1-CD1 3.65Å; L35-I80 HydrophobicContact CD1-CG1 4.16Å; L35-V137 HydrophobicContact CB-CG1 4.27Å; L35-V137 HydrophobicContact CD1-CG2 4.39Å; L35-V142 HydrophobicContact CD2-CG1 4.05Å; L35-V142 HydrophobicContact CD2-CG2 3.92Å; L35-I166 HydrophobicContact CD2-CD1 4.42Å; L35-I166 HydrophobicContact CD2-CG2 4.19Å; L35-V168 HydrophobicContact CD2-CG1 3.98Å
36F98.9Very high97.6Very high0 Ų030.5 Ų30.50%016%0.163CC..EExtended strand (participates in β ladder)trans-122.8128.1-179.5178.9-135.9000111.7A4 G6 L24 M25 A28 V33 L38 M77 T78 T79 I80 L231A4-F36 HydrophobicContact CB-CD2 3.75Å; A4-F36 HydrophobicContact CB-CE2 4.32Å; A4-F36 WeakPolarHBondContact O-CA 3.38Å; G6-F36 VanDerWaalsContact N-CE2 3.32Å; L24-F36 HydrophobicContact CB-CE1 4.1Å; L24-F36 HydrophobicContact CB-CZ 3.79Å; M25-F36 HydrophobicContact CG-CD1 4.03Å; M25-F36 HydrophobicContact CG-CE1 3.92Å; A28-F36 HydrophobicContact CB-CD1 4.29Å; A28-F36 HydrophobicContact CB-CD2 4.2Å; A28-F36 HydrophobicContact CB-CE2 4.47Å; A28-F36 HydrophobicContact CB-CG 4.11Å; V33-F36 HydrophobicContact CG1-CB 4.1Å; F36-L38 HydrophobicContact CD1-CG 4.25Å; F36-L38 HydrophobicContact CE1-CD1 3.95Å; F36-L38 HydrophobicContact CE1-CD2 3.6Å; F36-L38 HydrophobicContact CE1-CG 3.58Å; F36-L38 HydrophobicContact CE2-CD2 4.37Å; F36-L38 HydrophobicContact CZ-CD2 3.4Å; F36-L38 HydrophobicContact CZ-CG 3.78Å; F36-M77 HydrophobicContact CB-CE 3.78Å; F36-M77 HydrophobicContact CB-CG 3.96Å; F36-M77 HydrophobicContact CB-SD 3.33Å; F36-M77 WeakPolarHBondContact CB-SD 3.36Å; F36-M77 HydrophobicContact CD1-CE 3.77Å; F36-M77 HydrophobicContact CD1-SD 4.38Å; F36-M77 HydrophobicContact CG-CE 4.11Å; F36-M77 HydrophobicContact CG-SD 4.11Å; F36-T78 PolarHBondContact N-O 3.31Å; F36-T79 HydrophobicContact CD1-CG2 3.88Å; F36-T79 CarbonylContact O-C 3.55Å; F36-T79 VanDerWaalsContact O-CA 3.32Å; F36-T79 WeakPolarHBondContact O-CA 3.39Å; F36-I80 PolarHBondContact O-N 3.31Å; F36-L231 HydrophobicContact CD2-CD1 4.29Å; F36-L231 HydrophobicContact CE2-CD1 3.49Å; F36-L231 VanDerWaalsContact CE2-CD1 3.49Å; F36-L231 HydrophobicContact CZ-CD1 4.12Å
37V98.9Very high97.1Very high0 Ų033.1 Ų33.10%017%0.173CC..EExtended strand (participates in β ladder)trans-112.5126.7179.9-168.80000109.5A4 A5 G6 I80 V168 P170 V199 A201A4-V37 PolarHBondContact O-N 3.13Å; A5-V37 CarbonylContact C-O 3.58Å; A5-V37 WeakPolarHBondContact CA-O 3.32Å; G6-V37 PolarHBondContact N-O 3.49Å; V37-I80 CarbonylContact C-O 3.56Å; V37-I80 WeakPolarHBondContact CA-O 3.33Å; V37-V168 HydrophobicContact CG1-CB 4.45Å; V37-V168 HydrophobicContact CG2-CB 3.88Å; V37-V168 HydrophobicContact CG2-CG1 3.71Å; V37-P170 HydrophobicContact CG1-CG 3.82Å; V37-V199 HydrophobicContact CB-CG1 4.13Å; V37-V199 HydrophobicContact CG2-CB 4.09Å; V37-V199 HydrophobicContact CG2-CG1 3.54Å; V37-A201 HydrophobicContact CB-CB 4.07Å; V37-A201 HydrophobicContact CG1-CB 3.74Å; V37-A201 VanDerWaalsContact O-CB 3.29Å; V37-A201 WeakPolarHBondContact O-CB 3.41Å
38L98.9Very high96.8Very high0 Ų037.9 Ų37.90%020%0.195CC..  trans-106163.4173-73.1166.5000110.6F8 C21 L24 F36 L42 T79 I80 L81 P170F8-L38 HydrophobicContact CE1-CD2 4.34Å; C21-L38 HydrophobicContact CB-CD1 4.08Å; L24-L38 HydrophobicContact CB-CD2 4.39Å; L24-L38 HydrophobicContact CD1-CD2 3.88Å; F36-L38 HydrophobicContact CD1-CG 4.25Å; F36-L38 HydrophobicContact CE1-CD1 3.95Å; F36-L38 HydrophobicContact CE1-CD2 3.6Å; F36-L38 HydrophobicContact CE1-CG 3.58Å; F36-L38 HydrophobicContact CE2-CD2 4.37Å; F36-L38 HydrophobicContact CZ-CD2 3.4Å; F36-L38 HydrophobicContact CZ-CG 3.78Å; L38-L42 HydrophobicContact CB-CD1 3.79Å; L38-L42 HydrophobicContact CD1-CD1 4.36Å; L38-T79 HydrophobicContact CD1-CG2 3.98Å; L38-I80 PolarHBondContact N-O 2.94Å; L38-L81 HydrophobicContact CB-CB 3.9Å; L38-L81 HydrophobicContact CD1-CB 4.34Å; L38-P170 VanDerWaalsContact O-CB 3.25Å; L38-P170 WeakPolarHBondContact O-CB 3.45Å
39P98.7Very high96.5Very high0 Ų040 Ų400%021%0.206CC..  trans-67.8-178.3-175.5-2133.5000115.8G6 F8 L42 E203G6-P39 WeakPolarHBondContact O-CD 3.22Å; G6-P39 WeakPolarHBondContact O-CG 3.26Å; F8-P39 HydrophobicContact CD1-CG 4.24Å; F8-P39 HydrophobicContact CE1-CG 4.29Å; P39-L42 HydrophobicContact CB-CD2 3.81Å; P39-L42 HydrophobicContact CG-CD2 4.29Å; P39-L42 WeakPolarHBondContact O-CD2 3.48Å; P39-L42 WeakPolarHBondContact O-CG 3.41Å; P39-E203 HydrophobicContact CB-CB 3.82Å; P39-E203 HydrophobicContact CB-CG 4.48Å
40E98.1Very high96Very high9 Ų942.1 Ų42.14%0.04222%0.224CC..SBendtrans-82.2149.3179.9-172-178.5-160.600113.3L42 T82 N94 K110 T146 C147 A171 A172E40-L42 PolarHBondContact O-N 2.79Å; E40-T82 WeakPolarHBondContact CA-OG1 3.4Å; E40-N94 PolarHBondContact OE1-ND2 3.25Å; E40-K110 IonicContact OE1-NZ 2.77Å; E40-K110 PolarHBondContact OE1-NZ 3.45Å; E40-T146 HydrophobicContact CG-CG2 4.09Å; E40-C147 VanDerWaalsContact CD-CB 3.41Å; E40-C147 WeakPolarHBondContact OE1-CB 3.32Å; E40-C147 WeakPolarHBondContact OE2-CB 3.39Å; E40-C147 PolarHBondContact OE2-SG 3.05Å; E40-A171 VanDerWaalsContact CB-C 3.41Å; E40-A172 HydrophobicContact CB-CB 3.86Å; E40-A172 HydrophobicContact CG-CB 4.34Å; E40-A172 WeakPolarHBondContact OE2-CB 3.46Å; E40-A172 PolarHBondContact OE2-N 2.86Å
41A96Very high95.8Very high13 Ų1336 Ų3611%0.10720%0.196CC..  trans52.454.216900000114.9L43 T82A41-L43 VanDerWaalsContact C-N 3.28Å; A41-L43 PolarHBondContact O-N 3.31Å; A41-T82 PolarHBondContact N-O 3.31Å; A41-T82 PolarHBondContact N-OG1 2.99Å
42L97.9Very high95.7Very high0 Ų033.4 Ų33.40%018%0.182CC..  trans-75.8-5.3-166.4-57.9-179.2000116.1F8 V10 N17 L38 P39 E40 F64 L81 T82F8-L42 HydrophobicContact CE1-CD2 3.87Å; F8-L42 HydrophobicContact CZ-CD2 3.71Å; V10-L42 HydrophobicContact CG2-CD2 3.75Å; N17-L42 WeakPolarHBondContact CB-O 3.48Å; N17-L42 PolarHBondContact ND2-O 2.85Å; L38-L42 HydrophobicContact CB-CD1 3.79Å; L38-L42 HydrophobicContact CD1-CD1 4.36Å; P39-L42 HydrophobicContact CB-CD2 3.81Å; P39-L42 HydrophobicContact CG-CD2 4.29Å; P39-L42 WeakPolarHBondContact O-CD2 3.48Å; P39-L42 WeakPolarHBondContact O-CG 3.41Å; E40-L42 PolarHBondContact O-N 2.79Å; L42-F64 HydrophobicContact CB-CE1 4.38Å; L42-F64 HydrophobicContact CB-CE2 4.39Å; L42-F64 HydrophobicContact CB-CZ 3.69Å; L42-L81 HydrophobicContact CD1-CB 3.8Å; L42-L81 HydrophobicContact CD1-CD1 3.98Å; L42-T82 PolarHBondContact N-O 3.34Å; L42-T82 VanDerWaalsContact N-O 3.17Å
43L97.5Very high95.5Very high0 Ų027.8 Ų27.80%015%0.153CC..SBendtrans-64.1-62.7-177.3-74.4168.6000111.2W14 N17 A41 S56 Q58 F64 I83 H84W14-L43 WeakPolarHBondContact CA-O 3.2Å; W14-L43 HydrophobicContact CB-CD2 4.48Å; W14-L43 WeakPolarHBondContact CB-O 3.46Å; N17-L43 PolarHBondContact ND2-O 2.99Å; A41-L43 VanDerWaalsContact C-N 3.28Å; A41-L43 PolarHBondContact O-N 3.31Å; L43-S56 WeakPolarHBondContact CD1-O 3.32Å; L43-Q58 HydrophobicContact CD1-CB 4.35Å; L43-Q58 HydrophobicContact CD1-CG 4.37Å; L43-Q58 HydrophobicContact CD2-CB 4.31Å; L43-Q58 HydrophobicContact CD2-CG 3.95Å; L43-F64 HydrophobicContact CD2-CB 3.49Å; L43-F64 VanDerWaalsContact CD2-CB 3.49Å; L43-F64 HydrophobicContact CD2-CD1 4.12Å; L43-F64 HydrophobicContact CD2-CD2 3.74Å; L43-F64 HydrophobicContact CD2-CG 3.51Å; L43-I83 HydrophobicContact CD1-CB 3.95Å; L43-I83 HydrophobicContact CD1-CG2 4.48Å; L43-I83 HydrophobicContact CD2-CG2 4.4Å; L43-I83 HydrophobicContact CG-CB 4.01Å; L43-I83 HydrophobicContact CG-CG2 3.99Å; L43-H84 HydrophobicContact CD1-CB 4.4Å; L43-H84 VanDerWaalsContact CD1-O 3.28Å; L43-H84 WeakPolarHBondContact CD1-O 3.25Å
44A96.8Very high95.4Very high0 Ų028.3 Ų28.30%016%0.157CC..  trans-159.9153.2179.800000111.9T11 L52 S53 S56T11-A44 CarbonylContact O-C 3.43Å; T11-A44 VanDerWaalsContact O-CA 3.29Å; T11-A44 WeakPolarHBondContact O-CA 3.39Å; A44-L52 HydrophobicContact CB-CD2 4.09Å; A44-L52 HydrophobicContact CB-CG 4.01Å; A44-S53 VanDerWaalsContact O-CA 3.28Å; A44-S53 WeakPolarHBondContact O-CA 3.21Å; A44-S53 WeakPolarHBondContact O-CB 3.46Å; A44-S53 PolarHBondContact O-OG 3.47Å; A44-S56 WeakPolarHBondContact CB-OG 3.37Å
45R94.1Very high95.3Very high41 Ų4133.6 Ų33.616%0.15518%0.178CC..  trans-148.5141.6170.5-168-176.970.4178.6-9.9111V10 T11 S12 E203 N208V10-R45 HydrophobicContact CB-CB 4.36Å; V10-R45 HydrophobicContact CG1-CB 3.96Å; T11-R45 CarbonylContact C-O 3.58Å; T11-R45 PolarHBondContact O-N 3.48Å; S12-R45 VanDerWaalsContact CA-O 3.3Å; S12-R45 WeakPolarHBondContact CA-O 3.49Å; S12-R45 PolarHBondContact N-O 2.94Å; R45-E203 IonicContact CZ-OE1 3.18Å; R45-E203 IonicContact CZ-OE2 3.68Å; R45-E203 VanDerWaalsContact CZ-OE2 3.31Å; R45-E203 IonicContact NE-OE1 2.69Å; R45-E203 VanDerWaalsContact NH1-CD 3.29Å; R45-E203 IonicContact NH1-OE1 2.73Å; R45-E203 PolarHBondContact NH1-OE1 3.03Å; R45-E203 IonicContact NH1-OE2 3.82Å; R45-E203 PolarHBondContact NH1-OE2 3.39Å; R45-E203 IonicContact NH2-OE1 2.89Å; R45-E203 PolarHBondContact NH2-OE1 3.44Å; R45-E203 IonicContact NH2-OE2 3.41Å; R45-E203 PolarHBondContact NH2-OE2 2.88Å; R45-N208 PolarHBondContact NH1-ND2 2.92Å
46D93.1Very high95.2Very high53 Ų5334.9 Ų34.928%0.28319%0.187SC..  trans-138.2136.5169.6-170.3-22.3000108.5H48 D49 L52D46-H48 PolarHBondContact O-N 3.2Å; D46-H48 IonicContact OD1-CG 3.33Å; D46-H48 PolarHBondContact OD1-N 3.01Å; D46-H48 IonicContact OD1-ND1 2.67Å; D46-H48 PolarHBondContact OD1-ND1 2.86Å; D46-D49 HydrophobicContact CB-CB 4.35Å; D46-D49 CarbonylContact O-C 3.59Å; D46-D49 PolarHBondContact O-N 2.82Å; D46-L52 HydrophobicContact CB-CB 4.43Å; D46-L52 HydrophobicContact CB-CD2 3.54Å
47D87.9Confident95.1Very high84 Ų8435.9 Ų35.945%0.44920%0.196SC..SBendtrans-70.3-21.3177.7-70.2-23.3000111.8
48H91Very high95.1Very high179 Ų17937.3 Ų37.383%0.82920%0.202SC*.SBendtrans-92.3-14.7177.9-51.390.4000113.6D46D46-H48 PolarHBondContact O-N 3.2Å; D46-H48 IonicContact OD1-CG 3.33Å; D46-H48 PolarHBondContact OD1-N 3.01Å; D46-H48 IonicContact OD1-ND1 2.67Å; D46-H48 PolarHBondContact OD1-ND1 2.86Å
49D92.8Very high95.1Very high44 Ų4442.2 Ų42.224%0.23523%0.228CC..  trans-130.388.1175.1-174.2-0.3000109.9D46 D51 L52 K55D46-D49 HydrophobicContact CB-CB 4.35Å; D46-D49 CarbonylContact O-C 3.59Å; D46-D49 PolarHBondContact O-N 2.82Å; D49-D51 PolarHBondContact O-N 2.99Å; D49-D51 PolarHBondContact OD1-N 3.02Å; D49-D51 VanDerWaalsContact OD1-N 3.13Å; D49-L52 HydrophobicContact CB-CB 4.09Å; D49-L52 VanDerWaalsContact O-CB 3.31Å; D49-L52 WeakPolarHBondContact O-CB 3.38Å; D49-L52 PolarHBondContact O-N 2.86Å; D49-L52 PolarHBondContact OD1-N 2.76Å; D49-K55 IonicContact OD1-NZ 3.87Å; D49-K55 PolarHBondContact OD1-NZ 3.49Å; D49-K55 IonicContact OD2-NZ 2.66Å; D49-K55 PolarHBondContact OD2-NZ 3.04Å
50A87.1Confident95Very high72 Ų7243.2 Ų43.260%0.59523%0.233SC*.THydrogen-bonded Turntrans-57.3-20.7179.600000113.6
51D93Very high95Very high23 Ų2349.6 Ų49.612%0.12326%0.263CS..THydrogen-bonded Turntrans-96-4.1-179.6-63.2-49000113.7D49 S53 V54 K55 R123 R124D49-D51 PolarHBondContact O-N 2.99Å; D49-D51 PolarHBondContact OD1-N 3.02Å; D49-D51 VanDerWaalsContact OD1-N 3.13Å; D51-S53 PolarHBondContact O-N 3.27Å; D51-S53 VanDerWaalsContact O-N 3.14Å; D51-V54 PolarHBondContact O-N 2.97Å; D51-K55 HydrophobicContact CB-CD 4.24Å; D51-K55 HydrophobicContact CB-CG 4.43Å; D51-K55 WeakPolarHBondContact O-CG 3.4Å; D51-K55 PolarHBondContact O-N 3.47Å; D51-R123 VanDerWaalsContact CG-NH2 3.32Å; D51-R123 IonicContact OD1-CZ 3.83Å; D51-R123 IonicContact OD1-NE 2.81Å; D51-R123 IonicContact OD1-NH2 2.86Å; D51-R123 PolarHBondContact OD1-NH2 2.83Å; D51-R123 IonicContact OD2-NH2 3.02Å; D51-R123 PolarHBondContact OD2-NH2 3.46Å; D51-R124 VanDerWaalsContact CG-NH2 3.35Å; D51-R124 WeakPolarHBondContact OD1-CD 3.39Å; D51-R124 IonicContact OD1-CZ 2.94Å; D51-R124 IonicContact OD1-NE 3.64Å; D51-R124 PolarHBondContact OD1-NE 3.46Å; D51-R124 IonicContact OD1-NH1 3.2Å; D51-R124 IonicContact OD1-NH2 2.82Å; D51-R124 IonicContact OD2-CZ 3.33Å; D51-R124 IonicContact OD2-NE 2.66Å; D51-R124 IonicContact OD2-NH1 3.09Å; D51-R124 PolarHBondContact OD2-NH1 3.31Å; D51-R124 IonicContact OD2-NH2 3.31Å; D51-R124 PolarHBondContact OD2-NH2 2.86Å
52L95.2Very high95Very high30 Ų3049.8 Ų49.816%0.15727%0.266CS..Hα-helixtrans-53.9-38.7-176.4-177.361.6000111.5A44 D46 D49 V54 K55 S56A44-L52 HydrophobicContact CB-CD2 4.09Å; A44-L52 HydrophobicContact CB-CG 4.01Å; D46-L52 HydrophobicContact CB-CB 4.43Å; D46-L52 HydrophobicContact CB-CD2 3.54Å; D49-L52 HydrophobicContact CB-CB 4.09Å; D49-L52 VanDerWaalsContact O-CB 3.31Å; D49-L52 WeakPolarHBondContact O-CB 3.38Å; D49-L52 PolarHBondContact O-N 2.86Å; D49-L52 PolarHBondContact OD1-N 2.76Å; L52-V54 VanDerWaalsContact C-N 3.3Å; L52-V54 PolarHBondContact O-N 2.96Å; L52-K55 PolarHBondContact O-N 2.84Å; L52-S56 VanDerWaalsContact O-CB 3.27Å; L52-S56 WeakPolarHBondContact O-CB 3.3Å; L52-S56 PolarHBondContact O-N 3.42Å; L52-S56 PolarHBondContact O-OG 3.1Å; L52-S56 VanDerWaalsContact O-OG 3.05Å
53S93.4Very high95Very high20 Ų2055 Ų5514%0.1429%0.291CS..Hα-helixtrans-59.4-38.9-179.8-1570000113.3A44 D51 H84A44-S53 VanDerWaalsContact O-CA 3.28Å; A44-S53 WeakPolarHBondContact O-CA 3.21Å; A44-S53 WeakPolarHBondContact O-CB 3.46Å; A44-S53 PolarHBondContact O-OG 3.47Å; D51-S53 PolarHBondContact O-N 3.27Å; D51-S53 VanDerWaalsContact O-N 3.14Å; S53-H84 PolarHBondContact O-ND1 2.94Å; S53-H84 PolarHBondContact OG-CE1 2.91Å; S53-H84 PolarHBondContact OG-ND1 3.31Å
54V95.9Very high95.1Very high18 Ų1855 Ų5511%0.10929%0.291CS..Hα-helixtrans-81.1-37.4175.8177.40000111.3D51 L52 S56 A57 A92 R124 V125D51-V54 PolarHBondContact O-N 2.97Å; L52-V54 VanDerWaalsContact C-N 3.3Å; L52-V54 PolarHBondContact O-N 2.96Å; V54-S56 PolarHBondContact O-N 2.98Å; V54-A57 WeakPolarHBondContact O-CB 3.5Å; V54-A57 PolarHBondContact O-N 3.43Å; V54-A92 HydrophobicContact CG1-CB 3.94Å; V54-R124 HydrophobicContact CB-CB 4.35Å; V54-R124 HydrophobicContact CG1-CB 4.16Å; V54-R124 HydrophobicContact CG2-CB 3.99Å; V54-V125 HydrophobicContact CG2-CG2 4.11Å
55K96.3Very high95.1Very high120 Ų12055.1 Ų55.152%0.52229%0.291SS..Hα-helixtrans-61.6-30.7175.3-70.5168.9178.1163.10112.3D49 D51 L52 A57D49-K55 IonicContact OD1-NZ 3.87Å; D49-K55 PolarHBondContact OD1-NZ 3.49Å; D49-K55 IonicContact OD2-NZ 2.66Å; D49-K55 PolarHBondContact OD2-NZ 3.04Å; D51-K55 HydrophobicContact CB-CD 4.24Å; D51-K55 HydrophobicContact CB-CG 4.43Å; D51-K55 WeakPolarHBondContact O-CG 3.4Å; D51-K55 PolarHBondContact O-N 3.47Å; L52-K55 PolarHBondContact O-N 2.84Å; K55-A57 VanDerWaalsContact C-N 3.31Å
56S97.2Very high95.3Very high26 Ų2654.1 Ų54.118%0.18229%0.293CS..THydrogen-bonded Turntrans-87.85.4176.7-61.20000113.5L43 A44 L52 V54 Q58L43-S56 WeakPolarHBondContact CD1-O 3.32Å; A44-S56 WeakPolarHBondContact CB-OG 3.37Å; L52-S56 VanDerWaalsContact O-CB 3.27Å; L52-S56 WeakPolarHBondContact O-CB 3.3Å; L52-S56 PolarHBondContact O-N 3.42Å; L52-S56 PolarHBondContact O-OG 3.1Å; L52-S56 VanDerWaalsContact O-OG 3.05Å; V54-S56 PolarHBondContact O-N 2.98Å; S56-Q58 PolarHBondContact O-N 2.72Å
57A97.9Very high95.6Very high22 Ų2255.2 Ų55.218%0.18229%0.294CS..  trans-53.4138.1-179.300000111.6V54 K55 H84 P86 A92V54-A57 WeakPolarHBondContact O-CB 3.5Å; V54-A57 PolarHBondContact O-N 3.43Å; K55-A57 VanDerWaalsContact C-N 3.31Å; A57-H84 VanDerWaalsContact CA-O 3.28Å; A57-H84 WeakPolarHBondContact CA-O 3.06Å; A57-H84 HydrophobicContact CB-CB 3.85Å; A57-H84 WeakPolarHBondContact CB-O 3.49Å; A57-P86 HydrophobicContact CB-CG 3.93Å; A57-A92 HydrophobicContact CB-CB 4.01Å
58Q98.2Very high96.1Very high30 Ų3051.2 Ų51.214%0.1427%0.272CS..  trans-125.5150.3179.7-63.9-172.420.300109.9W14 L43 S56 H84 V85 P86W14-Q58 VanDerWaalsContact CD2-NE2 3.27Å; L43-Q58 HydrophobicContact CD1-CB 4.35Å; L43-Q58 HydrophobicContact CD1-CG 4.37Å; L43-Q58 HydrophobicContact CD2-CB 4.31Å; L43-Q58 HydrophobicContact CD2-CG 3.95Å; S56-Q58 PolarHBondContact O-N 2.72Å; Q58-H84 PolarHBondContact N-O 3.34Å; Q58-H84 VanDerWaalsContact N-O 3.08Å; Q58-V85 WeakPolarHBondContact O-CA 3.27Å; Q58-P86 WeakPolarHBondContact O-CD 3.22Å
59L98Very high96.4Very high103 Ų10346.2 Ų46.254%0.53925%0.246SC..  trans-62.7164.9168.9-64.2175.5000110.7E61 G62 P86L59-E61 PolarHBondContact O-N 3.29Å; L59-G62 WeakPolarHBondContact O-CA 3.48Å; L59-G62 PolarHBondContact O-N 3.26Å; L59-P86 HydrophobicContact CD2-CG 4.48Å
60L97.7Very high96.7Very high20 Ų2050.2 Ų50.211%0.10526%0.258CS..THydrogen-bonded Turntrans-64.9-23.3178.3-67.1178.9000112.9G62 L65 I83 V85 M95 V97 I104L60-G62 VanDerWaalsContact C-N 3.31Å; L60-L65 HydrophobicContact CB-CD1 4.5Å; L60-L65 HydrophobicContact CD2-CD1 3.83Å; L60-I83 HydrophobicContact CD2-CD1 4.4Å; L60-V85 HydrophobicContact CD2-CG2 3.73Å; L60-V85 HydrophobicContact CG-CG2 4.28Å; L60-M95 HydrophobicContact CD2-CG 4.33Å; L60-V97 HydrophobicContact CD2-CG1 3.78Å; L60-I104 HydrophobicContact CB-CD1 3.98Å; L60-I104 HydrophobicContact CD1-CD1 4.43Å; L60-I104 HydrophobicContact CD2-CD1 4.27Å; L60-I104 HydrophobicContact CG-CD1 4.46Å
61E97.2Very high97.2Very high144 Ų14448.1 Ų48.167%0.67324%0.236SC*.THydrogen-bonded Turntrans-86.6-0.6173.2-60.570.4-152.700112.8L59L59-E61 PolarHBondContact O-N 3.29Å
62G97.5Very high97.5Very high16 Ų1647 Ų4717%0.16523%0.23CC..SBendtrans-65.7160.8-178.300000113.9L59 L60 F64 L65 G66L59-G62 WeakPolarHBondContact O-CA 3.48Å; L59-G62 PolarHBondContact O-N 3.26Å; L60-G62 VanDerWaalsContact C-N 3.31Å; G62-F64 VanDerWaalsContact C-N 3.28Å; G62-F64 PolarHBondContact O-N 3.24Å; G62-L65 PolarHBondContact O-N 2.9Å; G62-G66 PolarHBondContact O-N 3.42Å
63E97.7Very high97.6Very high111 Ų11152.6 Ų52.652%0.51925%0.253SS..Hα-helixtrans-62.1-30.4-172.6-74.7-62.7136.900114.1W14 G66 R67W14-E63 HydrophobicContact CH2-CB 3.32Å; W14-E63 HydrophobicContact CH2-CG 4.35Å; W14-E63 HydrophobicContact CZ2-CB 4.11Å; W14-E63 HydrophobicContact CZ3-CB 3.82Å; E63-G66 PolarHBondContact O-N 2.97Å; E63-R67 PolarHBondContact O-N 3.43Å
64F98.5Very high97.8Very high0 Ų060.8 Ų60.80%028%0.28CS..Hα-helixtrans-59-56.8175-178.2-82.7000110.6W14 N17 A18 L42 L43 G62 G66 R67 L68 L81 I83W14-F64 HydrophobicContact CB-CD2 4.36Å; W14-F64 HydrophobicContact CE3-CB 3.8Å; W14-F64 HydrophobicContact CE3-CD2 4.06Å; W14-F64 HydrophobicContact CE3-CG 4.44Å; W14-F64 HydrophobicContact CZ3-CB 4.21Å; N17-F64 HydrophobicContact CB-CE2 4.09Å; A18-F64 HydrophobicContact CB-CD2 3.71Å; A18-F64 HydrophobicContact CB-CE2 3.85Å; A18-F64 HydrophobicContact CB-CG 4.37Å; L42-F64 HydrophobicContact CB-CE1 4.38Å; L42-F64 HydrophobicContact CB-CE2 4.39Å; L42-F64 HydrophobicContact CB-CZ 3.69Å; L43-F64 HydrophobicContact CD2-CB 3.49Å; L43-F64 VanDerWaalsContact CD2-CB 3.49Å; L43-F64 HydrophobicContact CD2-CD1 4.12Å; L43-F64 HydrophobicContact CD2-CD2 3.74Å; L43-F64 HydrophobicContact CD2-CG 3.51Å; G62-F64 VanDerWaalsContact C-N 3.28Å; G62-F64 PolarHBondContact O-N 3.24Å; F64-G66 VanDerWaalsContact C-N 3.28Å; F64-G66 PolarHBondContact O-N 3.01Å; F64-R67 PolarHBondContact O-N 2.95Å; F64-L68 HydrophobicContact CD1-CD1 4.38Å; F64-L68 HydrophobicContact CE1-CD1 4.06Å; F64-L68 HydrophobicContact CE1-CD2 3.79Å; F64-L68 HydrophobicContact CZ-CD1 4.28Å; F64-L68 HydrophobicContact CZ-CD2 4.36Å; F64-L68 WeakPolarHBondContact O-CD1 3.33Å; F64-L68 PolarHBondContact O-N 3.3Å; F64-L81 HydrophobicContact CE1-CD1 3.86Å; F64-I83 HydrophobicContact CD1-CG2 3.86Å; F64-I83 HydrophobicContact CE1-CG2 3.75Å
65L98.3Very high97.7Very high1 Ų160.9 Ų60.91%0.00528%0.281CS..Hα-helixtrans-68.3-30.5176.6-74.2-180000111.7L60 G62 R67 L68 R69 L81 I83 V97 L99 I104L60-L65 HydrophobicContact CB-CD1 4.5Å; L60-L65 HydrophobicContact CD2-CD1 3.83Å; G62-L65 PolarHBondContact O-N 2.9Å; L65-R67 VanDerWaalsContact C-N 3.28Å; L65-R67 PolarHBondContact O-N 3.4Å; L65-L68 PolarHBondContact O-N 3.29Å; L65-R69 VanDerWaalsContact O-CB 3.27Å; L65-R69 WeakPolarHBondContact O-CB 3.31Å; L65-R69 WeakPolarHBondContact O-CG 3.25Å; L65-R69 PolarHBondContact O-N 3.09Å; L65-L81 HydrophobicContact CD2-CD1 4.09Å; L65-I83 HydrophobicContact CD1-CD1 3.49Å; L65-I83 VanDerWaalsContact CD1-CD1 3.49Å; L65-I83 HydrophobicContact CD1-CG1 4.34Å; L65-I83 HydrophobicContact CG-CD1 3.84Å; L65-V97 HydrophobicContact CD1-CG2 4.46Å; L65-V97 HydrophobicContact CD2-CG2 3.96Å; L65-L99 HydrophobicContact CD2-CD1 4.38Å; L65-I104 HydrophobicContact CD1-CD1 4.31Å
66G98.2Very high97.6Very high20 Ų2062.6 Ų62.621%0.20629%0.292CS..Hα-helixtrans-54.1-43.1171.700000112.7G62 E63 F64 R70G62-G66 PolarHBondContact O-N 3.42Å; E63-G66 PolarHBondContact O-N 2.97Å; F64-G66 VanDerWaalsContact C-N 3.28Å; F64-G66 PolarHBondContact O-N 3.01Å; G66-R70 WeakPolarHBondContact O-CG 3.31Å; G66-R70 PolarHBondContact O-N 2.85Å; G66-R70 PolarHBondContact O-NH1 2.85Å
67R98.1Very high97.6Very high77 Ų7761.5 Ų61.529%0.29128%0.284SS..Hα-helixtrans-64.2-50.9174.5-75175.7-180-123.14.6111.9A18 E19 E63 F64 L65 R69 R70 E71A18-R67 HydrophobicContact CB-CB 4.24Å; E19-R67 IonicContact OE1-NH1 3.34Å; E19-R67 PolarHBondContact OE1-NH1 3.37Å; E19-R67 VanDerWaalsContact OE1-NH1 3.15Å; E63-R67 PolarHBondContact O-N 3.43Å; F64-R67 PolarHBondContact O-N 2.95Å; L65-R67 VanDerWaalsContact C-N 3.28Å; L65-R67 PolarHBondContact O-N 3.4Å; R67-R69 VanDerWaalsContact C-N 3.34Å; R67-R69 PolarHBondContact O-N 3.48Å; R67-R70 WeakPolarHBondContact O-CB 3.48Å; R67-R70 PolarHBondContact O-N 3.41Å; R67-E71 PolarHBondContact O-N 3.38Å
68L98.5Very high97.7Very high0 Ų060.6 Ų60.60%028%0.276CS..Hα-helixtrans-65.8-36-178.8-84.663.5000112.3A18 C21 M25 F64 L65 R70 E71 S72 L81 L99A18-L68 HydrophobicContact CB-CD1 4.08Å; C21-L68 HydrophobicContact CB-CD1 3.88Å; C21-L68 HydrophobicContact CB-CD2 4Å; C21-L68 HydrophobicContact CB-CG 4.07Å; M25-L68 WeakPolarHBondContact CE-O 3.4Å; M25-L68 HydrophobicContact SD-CB 4.13Å; M25-L68 HydrophobicContact SD-CD2 4.32Å; M25-L68 HydrophobicContact SD-CG 3.83Å; F64-L68 HydrophobicContact CD1-CD1 4.38Å; F64-L68 HydrophobicContact CE1-CD1 4.06Å; F64-L68 HydrophobicContact CE1-CD2 3.79Å; F64-L68 HydrophobicContact CZ-CD1 4.28Å; F64-L68 HydrophobicContact CZ-CD2 4.36Å; F64-L68 WeakPolarHBondContact O-CD1 3.33Å; F64-L68 PolarHBondContact O-N 3.3Å; L65-L68 PolarHBondContact O-N 3.29Å; L68-R70 VanDerWaalsContact C-N 3.33Å; L68-R70 PolarHBondContact O-N 3.31Å; L68-E71 PolarHBondContact O-N 3.43Å; L68-S72 WeakPolarHBondContact O-CB 3.31Å; L68-S72 PolarHBondContact O-N 3.35Å; L68-L81 HydrophobicContact CD2-CD1 3.69Å; L68-L81 HydrophobicContact CD2-CD2 3.84Å; L68-L81 HydrophobicContact CD2-CG 4.41Å; L68-L99 HydrophobicContact CB-CD1 3.79Å
69R98.4Very high97.7Very high74 Ų7459.1 Ų59.128%0.27927%0.27SS..Hα-helixtrans-64-36.7174.8-73174.374.6170.95.8111.8L65 R67 E71 S72 K73 L99 G102L65-R69 VanDerWaalsContact O-CB 3.27Å; L65-R69 WeakPolarHBondContact O-CB 3.31Å; L65-R69 WeakPolarHBondContact O-CG 3.25Å; L65-R69 PolarHBondContact O-N 3.09Å; R67-R69 VanDerWaalsContact C-N 3.34Å; R67-R69 PolarHBondContact O-N 3.48Å; R69-E71 VanDerWaalsContact C-N 3.33Å; R69-S72 PolarHBondContact O-N 2.93Å; R69-K73 WeakPolarHBondContact O-CG 3.24Å; R69-K73 PolarHBondContact O-N 3.03Å; R69-K73 VanDerWaalsContact O-N 3.07Å; R69-L99 HydrophobicContact CG-CD1 4.33Å; R69-L99 HydrophobicContact CG-CD2 3.9Å; R69-G102 PolarHBondContact NE-O 2.88Å; R69-G102 PolarHBondContact NH2-O 2.72Å; R69-G102 WeakPolarHBondContact O-CA 3.4Å
70R98.1Very high97.7Very high128 Ų12854.2 Ų54.248%0.48324%0.244SC..Hα-helixtrans-63.8-39.7173.7-74.9-172.9-64.5-92.312.5111.8G66 R67 L68 K73G66-R70 WeakPolarHBondContact O-CG 3.31Å; G66-R70 PolarHBondContact O-N 2.85Å; G66-R70 PolarHBondContact O-NH1 2.85Å; R67-R70 WeakPolarHBondContact O-CB 3.48Å; R67-R70 PolarHBondContact O-N 3.41Å; L68-R70 VanDerWaalsContact C-N 3.33Å; L68-R70 PolarHBondContact O-N 3.31Å; R70-K73 PolarHBondContact O-N 2.84Å
71E98.1Very high97.8Very high27 Ų2753.3 Ų53.313%0.12624%0.239CC..Hα-helixtrans-69.4-44.2175.7-16852.5-137.700111.4A22 M25 R67 L68 R69 K73 R74 N75A22-E71 HydrophobicContact CB-CB 4.34Å; A22-E71 HydrophobicContact CB-CG 4.31Å; M25-E71 HydrophobicContact CB-CG 3.92Å; M25-E71 HydrophobicContact CE-CB 4.05Å; M25-E71 HydrophobicContact CE-CG 4.22Å; M25-E71 HydrophobicContact SD-CB 4.46Å; R67-E71 PolarHBondContact O-N 3.38Å; L68-E71 PolarHBondContact O-N 3.43Å; R69-E71 VanDerWaalsContact C-N 3.33Å; E71-K73 PolarHBondContact O-N 3.31Å; E71-K73 VanDerWaalsContact O-N 3.15Å; E71-R74 WeakPolarHBondContact O-CB 3.48Å; E71-R74 PolarHBondContact O-N 3.35Å; E71-R74 IonicContact OE2-CZ 3.96Å; E71-R74 IonicContact OE2-NE 3.15Å; E71-R74 IonicContact OE2-NH1 3.63Å; E71-R74 PolarHBondContact OE2-NH1 3.43Å; E71-N75 PolarHBondContact O-ND2 3.11Å
72S98.4Very high97.9Very high0 Ų046.4 Ų46.40%021%0.207CC..Hα-helixtrans-59.7-25.3175.3176.30000113.6L68 R69 R74 A101 G102L68-S72 WeakPolarHBondContact O-CB 3.31Å; L68-S72 PolarHBondContact O-N 3.35Å; R69-S72 PolarHBondContact O-N 2.93Å; S72-R74 PolarHBondContact O-N 3.44Å; S72-A101 WeakPolarHBondContact O-CA 3.48Å; S72-A101 PolarHBondContact OG-N 2.77Å; S72-G102 PolarHBondContact OG-N 2.97Å
73K98.1Very high97.9Very high147 Ų14745.7 Ų45.764%0.63920%0.199SC*.THydrogen-bonded Turntrans-67.6-17.5173.1-76.2-179.5179.4-176.10113.8R69 R70 E71R69-K73 WeakPolarHBondContact O-CG 3.24Å; R69-K73 PolarHBondContact O-N 3.03Å; R69-K73 VanDerWaalsContact O-N 3.07Å; R70-K73 PolarHBondContact O-N 2.84Å; E71-K73 PolarHBondContact O-N 3.31Å; E71-K73 VanDerWaalsContact O-N 3.15Å
74R96.9Very high97.9Very high192 Ų19240.9 Ų40.973%0.72518%0.177SC*.THydrogen-bonded Turntrans-91.9-7.9-174.9-59.6174.1173.8-179.5-10.9113.1E71 S72E71-R74 WeakPolarHBondContact O-CB 3.48Å; E71-R74 PolarHBondContact O-N 3.35Å; E71-R74 IonicContact OE2-CZ 3.96Å; E71-R74 IonicContact OE2-NE 3.15Å; E71-R74 IonicContact OE2-NH1 3.63Å; E71-R74 PolarHBondContact OE2-NH1 3.43Å; S72-R74 PolarHBondContact O-N 3.44Å
75N95Very high97.9Very high21 Ų2141.3 Ų41.311%0.11218%0.18CC..SBendtrans-141.3169.2-178.360.365.3000110.7A29 E71 M77A29-N75 HydrophobicContact CB-CB 3.73Å; E71-N75 PolarHBondContact O-ND2 3.11Å; N75-M77 WeakPolarHBondContact OD1-CB 3.49Å; N75-M77 PolarHBondContact OD1-N 2.9Å
76M93.2Very high97.9Very high155 Ų15543.8 Ų43.876%0.76420%0.195SC*.  trans-99.12.8179.9-64.9-58.8-63.100113.2
77M98.1Very high97.8Very high3 Ų344 Ų442%0.01519%0.194CC..  trans-68.7141.4-175.3-176.8173.367.500111.4M25 A28 V33 F36 N75 T79M25-M77 HydrophobicContact CB-CE 4.23Å; M25-M77 HydrophobicContact CG-CE 4.42Å; A28-M77 HydrophobicContact CB-CE 4.03Å; A28-M77 HydrophobicContact CB-SD 3.75Å; V33-M77 HydrophobicContact CB-SD 3.76Å; V33-M77 HydrophobicContact CG1-CG 4.24Å; V33-M77 HydrophobicContact CG1-SD 3.6Å; V33-M77 VanDerWaalsContact CG1-SD 3.6Å; V33-M77 WeakPolarHBondContact O-CB 3.37Å; V33-M77 WeakPolarHBondContact O-CG 3.39Å; F36-M77 HydrophobicContact CB-CE 3.78Å; F36-M77 HydrophobicContact CB-CG 3.96Å; F36-M77 HydrophobicContact CB-SD 3.33Å; F36-M77 WeakPolarHBondContact CB-SD 3.36Å; F36-M77 HydrophobicContact CD1-CE 3.77Å; F36-M77 HydrophobicContact CD1-SD 4.38Å; F36-M77 HydrophobicContact CG-CE 4.11Å; F36-M77 HydrophobicContact CG-SD 4.11Å; N75-M77 WeakPolarHBondContact OD1-CB 3.49Å; N75-M77 PolarHBondContact OD1-N 2.9Å; M77-T79 WeakPolarHBondContact CE-OG1 3.48Å
78T98.7Very high97.7Very high3 Ų343.9 Ų43.92%0.01820%0.202CC..EExtended strand (participates in β ladder)trans-86.3113167.1-58.80000108.9S34 L35 F36 I80 A98 L99 Q100 V137S34-T78 PolarHBondContact O-N 3.47Å; L35-T78 WeakPolarHBondContact CA-O 3.41Å; L35-T78 HydrophobicContact CD1-CG2 4.19Å; F36-T78 PolarHBondContact N-O 3.31Å; T78-I80 HydrophobicContact CG2-CG1 4.32Å; T78-A98 HydrophobicContact CG2-CB 4.39Å; T78-L99 CarbonylContact C-O 3.51Å; T78-L99 WeakPolarHBondContact CA-O 3.45Å; T78-Q100 PolarHBondContact OG1-NE2 3.42Å; T78-V137 HydrophobicContact CG2-CG2 4.03Å
79T98.8Very high97.5Very high0 Ų050.2 Ų50.20%024%0.243CC..EExtended strand (participates in β ladder)trans-102.5124.6178.5-55.70000110.7M25 F36 L38 M77 L81 A98 L99M25-T79 HydrophobicContact CE-CG2 4.31Å; M25-T79 HydrophobicContact CG-CG2 4.04Å; M25-T79 HydrophobicContact SD-CG2 4.12Å; F36-T79 HydrophobicContact CD1-CG2 3.88Å; F36-T79 CarbonylContact O-C 3.55Å; F36-T79 VanDerWaalsContact O-CA 3.32Å; F36-T79 WeakPolarHBondContact O-CA 3.39Å; L38-T79 HydrophobicContact CD1-CG2 3.98Å; M77-T79 WeakPolarHBondContact CE-OG1 3.48Å; T79-L81 HydrophobicContact CG2-CD2 4.13Å; T79-A98 CarbonylContact O-C 3.33Å; T79-A98 WeakPolarHBondContact O-CA 3.26Å; T79-L99 PolarHBondContact N-O 3.19Å; T79-L99 PolarHBondContact O-N 3.29Å
80I98.8Very high97.4Very high0 Ų049.5 Ų49.50%026%0.259CS..EExtended strand (participates in β ladder)trans-112.8129.8-179.2-59.8-179.9000109L35 F36 V37 L38 T78 L96 V97 A98 L135 V142 L144 V168 P170L35-I80 HydrophobicContact CD1-CD1 3.65Å; L35-I80 HydrophobicContact CD1-CG1 4.16Å; F36-I80 PolarHBondContact O-N 3.31Å; V37-I80 CarbonylContact C-O 3.56Å; V37-I80 WeakPolarHBondContact CA-O 3.33Å; L38-I80 PolarHBondContact N-O 2.94Å; T78-I80 HydrophobicContact CG2-CG1 4.32Å; I80-L96 HydrophobicContact CG2-CD1 3.91Å; I80-L96 HydrophobicContact CG2-CD2 3.87Å; I80-L96 HydrophobicContact CG2-CG 3.86Å; I80-V97 WeakPolarHBondContact CA-O 3.49Å; I80-A98 HydrophobicContact CG1-CB 4.07Å; I80-L135 HydrophobicContact CD1-CD1 4.4Å; I80-V142 HydrophobicContact CD1-CG1 4.33Å; I80-L144 HydrophobicContact CD1-CD2 3.82Å; I80-V168 HydrophobicContact CD1-CB 4.36Å; I80-V168 HydrophobicContact CD1-CG1 4.11Å; I80-V168 HydrophobicContact CD1-CG2 3.72Å; I80-V168 HydrophobicContact CG2-CG2 4.11Å; I80-P170 HydrophobicContact CG2-CG 4.05Å
81L98.8Very high97.3Very high0 Ų046.9 Ų46.90%025%0.249CC..EExtended strand (participates in β ladder)trans-151.9174.9178.965.8135.6000110.2L38 L42 F64 L65 L68 T79 I83 L96 V97 L99L38-L81 HydrophobicContact CB-CB 3.9Å; L38-L81 HydrophobicContact CD1-CB 4.34Å; L42-L81 HydrophobicContact CD1-CB 3.8Å; L42-L81 HydrophobicContact CD1-CD1 3.98Å; F64-L81 HydrophobicContact CE1-CD1 3.86Å; L65-L81 HydrophobicContact CD2-CD1 4.09Å; L68-L81 HydrophobicContact CD2-CD1 3.69Å; L68-L81 HydrophobicContact CD2-CD2 3.84Å; L68-L81 HydrophobicContact CD2-CG 4.41Å; T79-L81 HydrophobicContact CG2-CD2 4.13Å; L81-I83 HydrophobicContact CD1-CG2 4.03Å; L81-L96 CarbonylContact O-C 3.6Å; L81-L96 VanDerWaalsContact O-CA 3.3Å; L81-L96 WeakPolarHBondContact O-CA 3.45Å; L81-V97 HydrophobicContact CD1-CG2 4.33Å; L81-V97 HydrophobicContact CD2-CG2 3.98Å; L81-V97 HydrophobicContact CG-CG2 3.77Å; L81-V97 PolarHBondContact N-O 3.17Å; L81-V97 VanDerWaalsContact N-O 3.1Å; L81-V97 PolarHBondContact O-N 2.88Å; L81-L99 HydrophobicContact CD2-CD1 4.01Å; L81-L99 HydrophobicContact CD2-CG 4.31Å
82T98.6Very high97.4Very high0 Ų045.6 Ų45.60%024%0.243CC..EExtended strand (participates in β ladder)trans-127.5152.2167.872.50000113.2E40 A41 L42 M95 L96 T146 P170E40-T82 WeakPolarHBondContact CA-OG1 3.4Å; A41-T82 PolarHBondContact N-O 3.31Å; A41-T82 PolarHBondContact N-OG1 2.99Å; L42-T82 PolarHBondContact N-O 3.34Å; L42-T82 VanDerWaalsContact N-O 3.17Å; T82-M95 CarbonylContact C-O 3.59Å; T82-M95 WeakPolarHBondContact CA-O 3.44Å; T82-M95 WeakPolarHBondContact CB-O 3.24Å; T82-L96 HydrophobicContact CG2-CB 3.68Å; T82-L96 HydrophobicContact CG2-CD1 4.43Å; T82-L96 HydrophobicContact CG2-CG 4.16Å; T82-T146 HydrophobicContact CG2-CG2 3.86Å; T82-P170 HydrophobicContact CG2-CB 3.82Å; T82-P170 HydrophobicContact CG2-CG 4.13Å
83I98.3Very high97.3Very high1 Ų150 Ų501%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-139.4158.817258.5156.6000110.1L43 L60 F64 L65 L81 V85 M95L43-I83 HydrophobicContact CD1-CB 3.95Å; L43-I83 HydrophobicContact CD1-CG2 4.48Å; L43-I83 HydrophobicContact CD2-CG2 4.4Å; L43-I83 HydrophobicContact CG-CB 4.01Å; L43-I83 HydrophobicContact CG-CG2 3.99Å; L60-I83 HydrophobicContact CD2-CD1 4.4Å; F64-I83 HydrophobicContact CD1-CG2 3.86Å; F64-I83 HydrophobicContact CE1-CG2 3.75Å; L65-I83 HydrophobicContact CD1-CD1 3.49Å; L65-I83 VanDerWaalsContact CD1-CD1 3.49Å; L65-I83 HydrophobicContact CD1-CG1 4.34Å; L65-I83 HydrophobicContact CG-CD1 3.84Å; L81-I83 HydrophobicContact CD1-CG2 4.03Å; I83-V85 HydrophobicContact CD1-CG2 3.85Å; I83-V85 HydrophobicContact CG1-CG2 4Å; I83-M95 PolarHBondContact N-O 3.09Å; I83-M95 PolarHBondContact O-N 3.18Å
84H98.2Very high97.3Very high9 Ų943.1 Ų43.14%0.04223%0.23CC..EExtended strand (participates in β ladder)trans-80.2126.2167.1-73.7107.1000110.4L43 S53 A57 Q58 A92 W93L43-H84 HydrophobicContact CD1-CB 4.4Å; L43-H84 VanDerWaalsContact CD1-O 3.28Å; L43-H84 WeakPolarHBondContact CD1-O 3.25Å; S53-H84 PolarHBondContact O-ND1 2.94Å; S53-H84 PolarHBondContact OG-CE1 2.91Å; S53-H84 PolarHBondContact OG-ND1 3.31Å; A57-H84 VanDerWaalsContact CA-O 3.28Å; A57-H84 WeakPolarHBondContact CA-O 3.06Å; A57-H84 HydrophobicContact CB-CB 3.85Å; A57-H84 WeakPolarHBondContact CB-O 3.49Å; Q58-H84 PolarHBondContact N-O 3.34Å; Q58-H84 VanDerWaalsContact N-O 3.08Å; H84-A92 HydrophobicContact CB-CB 3.91Å; H84-W93 CarbonylContact C-O 3.59Å; H84-W93 VanDerWaalsContact CA-O 3.28Å; H84-W93 WeakPolarHBondContact CA-O 3.4Å
85V98.4Very high97.4Very high10 Ų1034.8 Ų34.86%0.06120%0.199CC..EExtended strand (participates in β ladder)trans-114.6125.9177.4178.50000109.1Q58 L60 I83 S87 A92 W93 M95Q58-V85 WeakPolarHBondContact O-CA 3.27Å; L60-V85 HydrophobicContact CD2-CG2 3.73Å; L60-V85 HydrophobicContact CG-CG2 4.28Å; I83-V85 HydrophobicContact CD1-CG2 3.85Å; I83-V85 HydrophobicContact CG1-CG2 4Å; V85-S87 PolarHBondContact O-N 3.41Å; V85-A92 CarbonylContact O-C 3.56Å; V85-A92 WeakPolarHBondContact O-CA 3.17Å; V85-A92 VanDerWaalsContact O-CB 3.27Å; V85-A92 WeakPolarHBondContact O-CB 3.4Å; V85-W93 HydrophobicContact CG1-CE3 4.46Å; V85-W93 PolarHBondContact N-O 2.69Å; V85-W93 PolarHBondContact O-N 2.95Å; V85-M95 HydrophobicContact CB-CB 4.26Å; V85-M95 HydrophobicContact CG2-CB 3.62Å; V85-M95 HydrophobicContact CG2-CG 4.08Å
86P98Very high97.6Very high52 Ų5233.8 Ų33.834%0.33819%0.194SC..EExtended strand (participates in β ladder)trans-54131.1-179.3-25.533.8000112.5A57 Q58 L59A57-P86 HydrophobicContact CB-CG 3.93Å; Q58-P86 WeakPolarHBondContact O-CD 3.22Å; L59-P86 HydrophobicContact CD2-CG 4.48Å
87S96.9Very high97.8Very high26 Ų2626.4 Ų26.418%0.18216%0.157CC..EExtended strand (participates in β ladder)trans-109.2-50.2179.854.80000111.4V85 R91 A92 D126V85-S87 PolarHBondContact O-N 3.41Å; S87-R91 PolarHBondContact N-O 3.37Å; S87-R91 VanDerWaalsContact N-O 3.12Å; S87-R91 PolarHBondContact OG-O 2.92Å; S87-A92 WeakPolarHBondContact OG-CA 3.35Å; S87-A92 PolarHBondContact OG-N 3.31Å; S87-D126 VanDerWaalsContact CB-OD2 3.23Å; S87-D126 WeakPolarHBondContact CB-OD2 3.28Å; S87-D126 PolarHBondContact OG-OD2 2.84Å
88T95.1Very high97.9Very high73 Ų7326.2 Ų26.245%0.44816%0.157SC..EExtended strand (participates in β ladder)trans-144.2167.2173.756.50000108.9G90 R91T88-G90 PolarHBondContact O-N 3.07Å; T88-R91 PolarHBondContact O-N 2.96Å; T88-R91 WeakPolarHBondContact OG1-CB 3.44Å; T88-R91 WeakPolarHBondContact OG1-CD 3.49Å
89P95.2Very high97.8Very high133 Ų13326.1 Ų26.186%0.86416%0.156SC*.THydrogen-bonded Turntrans-52.5118.7-178.2-28.836.8000113R91P89-R91 VanDerWaalsContact C-N 3.3Å; P89-R91 PolarHBondContact O-N 3.23Å
90G94.8Very high97.8Very high60 Ų6029.2 Ų29.262%0.61917%0.171SC*.THydrogen-bonded Turntrans79.24.2-179.800000115.7T88T88-G90 PolarHBondContact O-N 3.07Å
91R97.5Very high97.7Very high73 Ų7331.2 Ų31.228%0.27519%0.187SC..EExtended strand (participates in β ladder)trans-125.9158.3177.4-58.317962.482.4-0.7111.2S87 T88 P89 S122 R123 R124 V125 D126S87-R91 PolarHBondContact N-O 3.37Å; S87-R91 VanDerWaalsContact N-O 3.12Å; S87-R91 PolarHBondContact OG-O 2.92Å; T88-R91 PolarHBondContact O-N 2.96Å; T88-R91 WeakPolarHBondContact OG1-CB 3.44Å; T88-R91 WeakPolarHBondContact OG1-CD 3.49Å; P89-R91 VanDerWaalsContact C-N 3.3Å; P89-R91 PolarHBondContact O-N 3.23Å; R91-S122 PolarHBondContact NH1-O 3.09Å; R91-S122 PolarHBondContact NH2-O 3.36Å; R91-R123 PolarHBondContact NH1-O 3.29Å; R91-R124 CarbonylContact C-O 3.52Å; R91-R124 VanDerWaalsContact CA-O 3.22Å; R91-R124 WeakPolarHBondContact CA-O 3.45Å; R91-V125 PolarHBondContact NH2-O 3.37Å; R91-V125 VanDerWaalsContact NH2-O 3.08Å; R91-D126 IonicContact CZ-OD1 2.97Å; R91-D126 IonicContact NE-OD1 3.77Å; R91-D126 PolarHBondContact NE-OD1 3.49Å; R91-D126 IonicContact NE-OD2 2.67Å; R91-D126 PolarHBondContact NE-OD2 3.25Å; R91-D126 IonicContact NH2-OD1 3.49Å; R91-D126 PolarHBondContact NH2-OD1 2.89Å
92A98.3Very high97.7Very high0 Ų031.2 Ų31.20%019%0.187CC..EExtended strand (participates in β ladder)trans-142.2158.6177.400000111.8V54 A57 H84 V85 S87 R124 V125 D126V54-A92 HydrophobicContact CG1-CB 3.94Å; A57-A92 HydrophobicContact CB-CB 4.01Å; H84-A92 HydrophobicContact CB-CB 3.91Å; V85-A92 CarbonylContact O-C 3.56Å; V85-A92 WeakPolarHBondContact O-CA 3.17Å; V85-A92 VanDerWaalsContact O-CB 3.27Å; V85-A92 WeakPolarHBondContact O-CB 3.4Å; S87-A92 WeakPolarHBondContact OG-CA 3.35Å; S87-A92 PolarHBondContact OG-N 3.31Å; A92-R124 PolarHBondContact N-O 3.16Å; A92-V125 CarbonylContact O-C 3.56Å; A92-V125 WeakPolarHBondContact O-CA 3.46Å; A92-D126 PolarHBondContact O-N 3.07Å
93W98.4Very high97.6Very high93 Ų9335.4 Ų35.435%0.35221%0.21SC..EExtended strand (participates in β ladder)trans-82.6145.4157.3-63.8-68.2000109.9H84 V85 M95 A109H84-W93 CarbonylContact C-O 3.59Å; H84-W93 VanDerWaalsContact CA-O 3.28Å; H84-W93 WeakPolarHBondContact CA-O 3.4Å; V85-W93 HydrophobicContact CG1-CE3 4.46Å; V85-W93 PolarHBondContact N-O 2.69Å; V85-W93 PolarHBondContact O-N 2.95Å; W93-M95 HydrophobicContact CB-CE 4.01Å; W93-M95 HydrophobicContact CD2-CE 4.49Å; W93-M95 HydrophobicContact CE3-CE 4.41Å; W93-M95 HydrophobicContact CG-CE 4.35Å; W93-M95 PolarHBondContact O-N 3.13Å; W93-A109 HydrophobicContact CB-CB 4.33Å; W93-A109 HydrophobicContact CG-CB 4.34Å
94N98.1Very high97.6Very high2 Ų237.7 Ų37.71%0.01122%0.221CC..EExtended strand (participates in β ladder)trans-83.998.5160.3-175.8-16.2000107.9E40 K110 V125E40-N94 PolarHBondContact OE1-ND2 3.25Å; N94-K110 HydrophobicContact CB-CB 4.05Å; N94-K110 HydrophobicContact CB-CD 4.22Å; N94-K110 WeakPolarHBondContact ND2-CD 3.43Å; N94-K110 PolarHBondContact O-N 3.11Å; N94-V125 HydrophobicContact CB-CG1 3.96Å
95M98.5Very high97.6Very high16 Ų1640.2 Ų40.28%0.07924%0.237CC..EExtended strand (participates in β ladder)trans-101.8112.8-168.6-171.466.161.400110.1L60 T82 I83 V85 W93 V97 R107 A109L60-M95 HydrophobicContact CD2-CG 4.33Å; T82-M95 CarbonylContact C-O 3.59Å; T82-M95 WeakPolarHBondContact CA-O 3.44Å; T82-M95 WeakPolarHBondContact CB-O 3.24Å; I83-M95 PolarHBondContact N-O 3.09Å; I83-M95 PolarHBondContact O-N 3.18Å; V85-M95 HydrophobicContact CB-CB 4.26Å; V85-M95 HydrophobicContact CG2-CB 3.62Å; V85-M95 HydrophobicContact CG2-CG 4.08Å; W93-M95 HydrophobicContact CB-CE 4.01Å; W93-M95 HydrophobicContact CD2-CE 4.49Å; W93-M95 HydrophobicContact CE3-CE 4.41Å; W93-M95 HydrophobicContact CG-CE 4.35Å; W93-M95 PolarHBondContact O-N 3.13Å; M95-V97 HydrophobicContact CG-CG1 3.98Å; M95-R107 HydrophobicContact SD-CB 3.89Å; M95-R107 HydrophobicContact SD-CG 4.44Å; M95-A109 HydrophobicContact CE-CB 3.99Å; M95-A109 HydrophobicContact SD-CB 4.38Å
96L98.6Very high97.5Very high0 Ų040.2 Ų40.20%024%0.238CC..EExtended strand (participates in β ladder)trans-72.5135.2161.9-177.4155000109.1I80 L81 T82 R107 Y108 L144 P170I80-L96 HydrophobicContact CG2-CD1 3.91Å; I80-L96 HydrophobicContact CG2-CD2 3.87Å; I80-L96 HydrophobicContact CG2-CG 3.86Å; L81-L96 CarbonylContact O-C 3.6Å; L81-L96 VanDerWaalsContact O-CA 3.3Å; L81-L96 WeakPolarHBondContact O-CA 3.45Å; T82-L96 HydrophobicContact CG2-CB 3.68Å; T82-L96 HydrophobicContact CG2-CD1 4.43Å; T82-L96 HydrophobicContact CG2-CG 4.16Å; L96-R107 CarbonylContact O-C 3.44Å; L96-R107 WeakPolarHBondContact O-CA 3.44Å; L96-Y108 HydrophobicContact CB-CD1 4.1Å; L96-Y108 WeakPolarHBondContact CB-O 3.47Å; L96-Y108 HydrophobicContact CD1-CD1 4.45Å; L96-Y108 PolarHBondContact N-O 3.29Å; L96-Y108 PolarHBondContact O-N 3.28Å; L96-L144 HydrophobicContact CD1-CB 4.19Å; L96-L144 HydrophobicContact CD2-CB 4.13Å; L96-L144 HydrophobicContact CD2-CD1 3.71Å; L96-L144 HydrophobicContact CD2-CD2 4.38Å; L96-L144 HydrophobicContact CD2-CG 4.29Å; L96-P170 HydrophobicContact CD1-CG 3.99Å
97V98.5Very high97.5Very high0 Ų045.6 Ų45.60%025%0.252CS..EExtended strand (participates in β ladder)trans-128.9142.1173.7-61.40000109.8L60 L65 I80 L81 M95 I104L60-V97 HydrophobicContact CD2-CG1 3.78Å; L65-V97 HydrophobicContact CD1-CG2 4.46Å; L65-V97 HydrophobicContact CD2-CG2 3.96Å; I80-V97 WeakPolarHBondContact CA-O 3.49Å; L81-V97 HydrophobicContact CD1-CG2 4.33Å; L81-V97 HydrophobicContact CD2-CG2 3.98Å; L81-V97 HydrophobicContact CG-CG2 3.77Å; L81-V97 PolarHBondContact N-O 3.17Å; L81-V97 VanDerWaalsContact N-O 3.1Å; L81-V97 PolarHBondContact O-N 2.88Å; M95-V97 HydrophobicContact CG-CG1 3.98Å; V97-I104 HydrophobicContact CB-CG2 4.39Å
98A98.5Very high97.6Very high0 Ų044.7 Ų44.70%024%0.244CC..EExtended strand (participates in β ladder)trans-108122168.600000109.3T78 T79 I80 I104 V105 A106 L135T78-A98 HydrophobicContact CG2-CB 4.39Å; T79-A98 CarbonylContact O-C 3.33Å; T79-A98 WeakPolarHBondContact O-CA 3.26Å; I80-A98 HydrophobicContact CG1-CB 4.07Å; A98-I104 CarbonylContact O-C 3.56Å; A98-I104 WeakPolarHBondContact O-CA 3.27Å; A98-V105 HydrophobicContact CB-CG2 3.92Å; A98-V105 WeakPolarHBondContact O-CG2 3.48Å; A98-V105 PolarHBondContact O-N 3.18Å; A98-A106 HydrophobicContact CB-CB 4.24Å; A98-A106 PolarHBondContact N-O 3.12Å; A98-L135 HydrophobicContact CB-CD1 3.31Å
99L98.5Very high97.7Very high0 Ų042 Ų420%023%0.23CC..EExtended strand (participates in β ladder)trans-102.4131.9177.4-60.9-178.6000110.3L65 L68 R69 T78 T79 L81 N103 I104L65-L99 HydrophobicContact CD2-CD1 4.38Å; L68-L99 HydrophobicContact CB-CD1 3.79Å; R69-L99 HydrophobicContact CG-CD1 4.33Å; R69-L99 HydrophobicContact CG-CD2 3.9Å; T78-L99 CarbonylContact C-O 3.51Å; T78-L99 WeakPolarHBondContact CA-O 3.45Å; T79-L99 PolarHBondContact N-O 3.19Å; T79-L99 PolarHBondContact O-N 3.29Å; L81-L99 HydrophobicContact CD2-CD1 4.01Å; L81-L99 HydrophobicContact CD2-CG 4.31Å; L99-N103 CarbonylContact C-O 3.52Å; L99-N103 VanDerWaalsContact CA-O 3.26Å; L99-N103 WeakPolarHBondContact CA-O 3.26Å; L99-I104 HydrophobicContact CD2-CB 4.42Å; L99-I104 HydrophobicContact CD2-CG1 3.55Å
100Q98Very high97.9Very high66 Ų6635.9 Ų35.931%0.30819%0.19SC..EExtended strand (participates in β ladder)trans-144.9130172.6-172.4-17548.200109.2T78 G102 N103 V105T78-Q100 PolarHBondContact OG1-NE2 3.42Å; Q100-G102 PolarHBondContact O-N 3.32Å; Q100-N103 PolarHBondContact N-O 2.84Å; Q100-N103 PolarHBondContact O-N 3.02Å; Q100-V105 HydrophobicContact CB-CG1 3.83Å; Q100-V105 HydrophobicContact CB-CG2 3.98Å
101A97.3Very high98Very high42 Ų4234.7 Ų34.735%0.34717%0.169SC..THydrogen-bonded Turntrans48.734.9-177.800000113.7S72 N103S72-A101 WeakPolarHBondContact O-CA 3.48Å; S72-A101 PolarHBondContact OG-N 2.77Å; A101-N103 PolarHBondContact O-N 3.36Å
102G97.4Very high98Very high0 Ų033.7 Ų33.70%017%0.167CC..THydrogen-bonded Turntrans79.16.7-178.100000116.7R69 S72 Q100R69-G102 PolarHBondContact NE-O 2.88Å; R69-G102 PolarHBondContact NH2-O 2.72Å; R69-G102 WeakPolarHBondContact O-CA 3.4Å; S72-G102 PolarHBondContact OG-N 2.97Å; Q100-G102 PolarHBondContact O-N 3.32Å
103N97.8Very high97.9Very high88 Ų8835 Ų3547%0.47117%0.174SC..EExtended strand (participates in β ladder)trans-109.8147.8177.5-60.3-52.1000110.8L99 Q100 A101 V105L99-N103 CarbonylContact C-O 3.52Å; L99-N103 VanDerWaalsContact CA-O 3.26Å; L99-N103 WeakPolarHBondContact CA-O 3.26Å; Q100-N103 PolarHBondContact N-O 2.84Å; Q100-N103 PolarHBondContact O-N 3.02Å; A101-N103 PolarHBondContact O-N 3.36Å; N103-V105 HydrophobicContact CB-CG1 4.43Å; N103-V105 PolarHBondContact O-N 3.37Å
104I97.8Very high97.6Very high48 Ų4832.1 Ų32.125%0.24616%0.163CC..EExtended strand (participates in β ladder)trans-80.4109.6166.8-62.6167.6000106.6L60 L65 V97 A98 L99 A106L60-I104 HydrophobicContact CB-CD1 3.98Å; L60-I104 HydrophobicContact CD1-CD1 4.43Å; L60-I104 HydrophobicContact CD2-CD1 4.27Å; L60-I104 HydrophobicContact CG-CD1 4.46Å; L65-I104 HydrophobicContact CD1-CD1 4.31Å; V97-I104 HydrophobicContact CB-CG2 4.39Å; A98-I104 CarbonylContact O-C 3.56Å; A98-I104 WeakPolarHBondContact O-CA 3.27Å; L99-I104 HydrophobicContact CD2-CB 4.42Å; L99-I104 HydrophobicContact CD2-CG1 3.55Å; I104-A106 WeakPolarHBondContact CG2-O 3.37Å
105V97.5Very high97.1Very high63 Ų6335.9 Ų35.938%0.38218%0.183SC..EExtended strand (participates in β ladder)trans-95.8-19.9-176.9-650000113.1A98 Q100 N103 L135A98-V105 HydrophobicContact CB-CG2 3.92Å; A98-V105 WeakPolarHBondContact O-CG2 3.48Å; A98-V105 PolarHBondContact O-N 3.18Å; Q100-V105 HydrophobicContact CB-CG1 3.83Å; Q100-V105 HydrophobicContact CB-CG2 3.98Å; N103-V105 HydrophobicContact CB-CG1 4.43Å; N103-V105 PolarHBondContact O-N 3.37Å; V105-L135 HydrophobicContact CG2-CD2 4.16Å
106A97.5Very high96.4Very high10 Ų1036.2 Ų36.28%0.08319%0.189CC..EExtended strand (participates in β ladder)trans-151.4161.5165.300000111.3A98 I104 L135 L144A98-A106 HydrophobicContact CB-CB 4.24Å; A98-A106 PolarHBondContact N-O 3.12Å; I104-A106 WeakPolarHBondContact CG2-O 3.37Å; A106-L135 HydrophobicContact CB-CD1 3.95Å; A106-L135 HydrophobicContact CB-CD2 3.46Å; A106-L135 VanDerWaalsContact CB-CD2 3.46Å; A106-L135 HydrophobicContact CB-CG 3.86Å; A106-L144 HydrophobicContact CB-CD1 4.11Å
107R97.4Very high95.4Very high165 Ų16545.5 Ų45.562%0.62323%0.23SC*.EExtended strand (participates in β ladder)trans-142.4150.8174.265.2-177.5-179.6-179.70.7110M95 L96M95-R107 HydrophobicContact SD-CB 3.89Å; M95-R107 HydrophobicContact SD-CG 4.44Å; L96-R107 CarbonylContact O-C 3.44Å; L96-R107 WeakPolarHBondContact O-CA 3.44Å
108Y98.1Very high94.6Very high6 Ų650.6 Ų50.62%0.02427%0.271CS..EExtended strand (participates in β ladder)trans-150.6121.1178.4165.1-110.4000109.7L96 L111 E130 A132 D149L96-Y108 HydrophobicContact CB-CD1 4.1Å; L96-Y108 WeakPolarHBondContact CB-O 3.47Å; L96-Y108 HydrophobicContact CD1-CD1 4.45Å; L96-Y108 PolarHBondContact N-O 3.29Å; L96-Y108 PolarHBondContact O-N 3.28Å; Y108-L111 HydrophobicContact CE2-CD1 3.87Å; Y108-L111 HydrophobicContact CE2-CG 3.7Å; Y108-L111 WeakPolarHBondContact OH-CB 3.4Å; Y108-L111 WeakPolarHBondContact OH-CD1 3.32Å; Y108-L111 WeakPolarHBondContact OH-CG 3.46Å; Y108-L111 PolarHBondContact OH-N 2.89Å; Y108-L111 VanDerWaalsContact OH-N 3.16Å; Y108-E130 WeakPolarHBondContact CE2-O 3.37Å; Y108-A132 HydrophobicContact CD2-CB 3.6Å; Y108-A132 HydrophobicContact CE2-CB 4.37Å; Y108-A132 HydrophobicContact CG-CB 3.75Å; Y108-D149 WeakPolarHBondContact CE1-OD2 3.35Å; Y108-D149 PolarHBondContact OH-OD1 3.01Å; Y108-D149 PolarHBondContact OH-OD2 3.27Å
109A98.3Very high93.8Very high18 Ų1854 Ų5415%0.14929%0.289CS..EExtended strand (participates in β ladder)trans-83125.1170.700000108.7W93 M95 L111W93-A109 HydrophobicContact CB-CB 4.33Å; W93-A109 HydrophobicContact CG-CB 4.34Å; M95-A109 HydrophobicContact CE-CB 3.99Å; M95-A109 HydrophobicContact SD-CB 4.38Å; A109-L111 PolarHBondContact O-N 3.49Å
110K98.3Very high93.4Very high4 Ų459.6 Ų59.62%0.01732%0.315CS..  trans-48.5125.2-179.7-177178.2-178.1-175.60111.2E40 N94 H112 L113 E121 G128 T146E40-K110 IonicContact OE1-NZ 2.77Å; E40-K110 PolarHBondContact OE1-NZ 3.45Å; N94-K110 HydrophobicContact CB-CB 4.05Å; N94-K110 HydrophobicContact CB-CD 4.22Å; N94-K110 WeakPolarHBondContact ND2-CD 3.43Å; N94-K110 PolarHBondContact O-N 3.11Å; K110-H112 WeakPolarHBondContact CE-O 3.46Å; K110-L113 HydrophobicContact CD-CD2 4.32Å; K110-L113 HydrophobicContact CG-CD2 4.42Å; K110-E121 IonicContact NZ-OE1 3.05Å; K110-E121 PolarHBondContact NZ-OE1 3.44Å; K110-E121 IonicContact NZ-OE2 3.81Å; K110-E121 PolarHBondContact NZ-OE2 2.77Å; K110-G128 PolarHBondContact O-N 3.38Å; K110-T146 HydrophobicContact CB-CG2 4.3Å; K110-T146 HydrophobicContact CD-CG2 3.83Å; K110-T146 HydrophobicContact CG-CG2 4.15Å
111L97.8Very high93.1Very high35 Ų3558 Ų5818%0.18331%0.308CS..SBendtrans-79.1-47.7-177.4-71.5169.5000111.4Y108 A109 G128 I131 L155Y108-L111 HydrophobicContact CE2-CD1 3.87Å; Y108-L111 HydrophobicContact CE2-CG 3.7Å; Y108-L111 WeakPolarHBondContact OH-CB 3.4Å; Y108-L111 WeakPolarHBondContact OH-CD1 3.32Å; Y108-L111 WeakPolarHBondContact OH-CG 3.46Å; Y108-L111 PolarHBondContact OH-N 2.89Å; Y108-L111 VanDerWaalsContact OH-N 3.16Å; A109-L111 PolarHBondContact O-N 3.49Å; L111-G128 VanDerWaalsContact CD2-C 3.46Å; L111-G128 WeakPolarHBondContact CD2-O 3.46Å; L111-I131 HydrophobicContact CD1-CG1 4.27Å; L111-L155 HydrophobicContact CD1-CD1 3.95Å; L111-L155 HydrophobicContact CD1-CD2 4.32Å
112H97.2Very high92.9Very high51 Ų5157.5 Ų57.524%0.23630%0.302CS..SBendtrans-101.3108.2-172.5-52.395.5000111K110 Y148 D149 F152K110-H112 WeakPolarHBondContact CE-O 3.46Å; H112-Y148 HydrophobicContact CB-CD1 4.08Å; H112-D149 IonicContact CE1-OD1 3.32Å; H112-D149 IonicContact CG-OD1 3.94Å; H112-D149 PolarHBondContact N-OD1 2.92Å; H112-D149 IonicContact ND1-OD1 4Å; H112-D149 PolarHBondContact ND1-OD1 3.08Å; H112-F152 HydrophobicContact CB-CD2 3.6Å; H112-F152 HydrophobicContact CB-CE2 3.32Å; H112-F152 HydrophobicContact CB-CG 4.39Å; H112-F152 HydrophobicContact CB-CZ 3.89Å; H112-F152 AromaticContact CD2-CD1 3.52Å; H112-F152 AromaticContact CD2-CD2 3.64Å; H112-F152 AromaticContact CD2-CE1 3.64Å; H112-F152 AromaticContact CD2-CE2 3.78Å; H112-F152 AromaticContact CD2-CG 3.52Å; H112-F152 AromaticContact CD2-CZ 3.77Å; H112-F152 AromaticContact CE1-CG 3.81Å; H112-F152 AromaticContact CG-CD2 3.34Å; H112-F152 AromaticContact CG-CE2 3.52Å; H112-F152 AromaticContact CG-CG 3.67Å; H112-F152 AromaticContact CG-CZ 3.96Å; H112-F152 AromaticContact ND1-CD2 3.68Å; H112-F152 AromaticContact ND1-CG 3.86Å; H112-F152 AromaticContact NE2-CD1 3.71Å; H112-F152 AromaticContact NE2-CG 3.62Å
113L96.1Very high92.7Very high27 Ų2763.8 Ų63.814%0.14133%0.325CS..  trans-85.1144.9176.3-54.4-175000111.3K110 D115 E121 V125 A127 Y148K110-L113 HydrophobicContact CD-CD2 4.32Å; K110-L113 HydrophobicContact CG-CD2 4.42Å; L113-D115 PolarHBondContact O-N 3.07Å; L113-E121 HydrophobicContact CB-CB 4.22Å; L113-E121 HydrophobicContact CB-CG 4.3Å; L113-E121 HydrophobicContact CD2-CG 4.28Å; L113-V125 HydrophobicContact CD1-CB 4.31Å; L113-V125 HydrophobicContact CD1-CG1 4.38Å; L113-V125 WeakPolarHBondContact CD1-O 3.45Å; L113-V125 HydrophobicContact CD2-CB 4.35Å; L113-V125 HydrophobicContact CD2-CG1 3.75Å; L113-A127 HydrophobicContact CD1-CB 4.07Å; L113-A127 HydrophobicContact CG-CB 4.07Å; L113-Y148 WeakPolarHBondContact O-CD1 3.37Å; L113-Y148 WeakPolarHBondContact O-CE1 3.48Å
114Y91.9Very high92.6Very high34 Ų3463.3 Ų63.313%0.13332%0.317CS..  trans-82.492.2177.9-171.3-103.1000111.6A116 F117 I119 E121 Y148 K179Y114-A116 HydrophobicContact CD2-CB 4.41Å; Y114-A116 HydrophobicContact CE1-CB 4.24Å; Y114-A116 HydrophobicContact CE2-CB 3.89Å; Y114-F117 VanDerWaalsContact OH-CD2 3.28Å; Y114-F117 WeakPolarHBondContact OH-CD2 3.33Å; Y114-I119 HydrophobicContact CD1-CB 3.75Å; Y114-I119 HydrophobicContact CD1-CD1 4.34Å; Y114-I119 HydrophobicContact CD1-CG2 3.69Å; Y114-I119 HydrophobicContact CE1-CB 3.76Å; Y114-I119 HydrophobicContact CE1-CD1 3.95Å; Y114-I119 HydrophobicContact CE1-CG1 4.27Å; Y114-I119 HydrophobicContact CE1-CG2 4.21Å; Y114-E121 PolarHBondContact N-OE2 3.45Å; Y114-E121 WeakPolarHBondContact O-CB 3.37Å; Y114-E121 PolarHBondContact O-N 2.93Å; Y114-Y148 HydrophobicContact CD2-CD1 4.32Å; Y114-Y148 AromaticContact CD2-CD2 3.53Å; Y114-Y148 HydrophobicContact CD2-CD2 3.53Å; Y114-Y148 HydrophobicContact CD2-CE1 4.13Å; Y114-Y148 AromaticContact CD2-CE2 3.28Å; Y114-Y148 HydrophobicContact CD2-CE2 3.28Å; Y114-Y148 HydrophobicContact CD2-CG 4.05Å; Y114-Y148 AromaticContact CD2-CZ 3.63Å; Y114-Y148 HydrophobicContact CE2-CD2 4.2Å; Y114-Y148 AromaticContact CE2-CE2 3.67Å; Y114-Y148 HydrophobicContact CE2-CE2 3.67Å; Y114-Y148 HydrophobicContact CG-CD2 4.49Å; Y114-Y148 HydrophobicContact CG-CE2 4.49Å; Y114-K179 PolarHBondContact OH-NZ 3.16Å
115D89.3Confident92.5Very high80 Ų8061.3 Ų61.343%0.42831%0.307SS..EExtended strand (participates in β ladder)trans-110.273.9171.9-71.5-9.6000110.1L113 I119 Q120 E121 S122L113-D115 PolarHBondContact O-N 3.07Å; D115-I119 CarbonylContact C-O 3.49Å; D115-Q120 WeakPolarHBondContact OD1-CA 3.22Å; D115-E121 PolarHBondContact OD1-N 2.89Å; D115-S122 WeakPolarHBondContact OD1-CB 3.4Å; D115-S122 PolarHBondContact OD1-N 3.05Å; D115-S122 PolarHBondContact OD1-OG 3.07Å; D115-S122 VanDerWaalsContact OD1-OG 3.13Å; D115-S122 WeakPolarHBondContact OD2-CB 3.46Å; D115-S122 PolarHBondContact OD2-OG 2.9Å
116A82.1Confident92.5Very high23 Ų2360.1 Ų60.119%0.1930%0.298CS..EExtended strand (participates in β ladder)trans-144.4146.7-178.800000112.7Y114 A118 I119Y114-A116 HydrophobicContact CD2-CB 4.41Å; Y114-A116 HydrophobicContact CE1-CB 4.24Å; Y114-A116 HydrophobicContact CE2-CB 3.89Å; A116-A118 PolarHBondContact O-N 3.32Å; A116-I119 PolarHBondContact N-O 2.95Å; A116-I119 PolarHBondContact O-N 3.25Å
117F78.6Confident92.5Very high196 Ų19662 Ų6286%0.8631%0.314SS*.THydrogen-bonded Turntrans57.2-126.2-175-49.4-85.5000110.9Y114 I119Y114-F117 VanDerWaalsContact OH-CD2 3.28Å; Y114-F117 WeakPolarHBondContact OH-CD2 3.33Å; F117-I119 VanDerWaalsContact C-N 3.34Å
118A80.5Confident92.5Very high106 Ų10654.8 Ų54.888%0.87629%0.291SS*.THydrogen-bonded Turntrans-89.73.5179.400000113.6A116A116-A118 PolarHBondContact O-N 3.32Å
119I83.4Confident92.4Very high72 Ų7261.3 Ų61.337%0.36933%0.326SS..EExtended strand (participates in β ladder)trans-108.6128.9-178.3-55.9178.3000108.8Y114 D115 A116 F117 V174Y114-I119 HydrophobicContact CD1-CB 3.75Å; Y114-I119 HydrophobicContact CD1-CD1 4.34Å; Y114-I119 HydrophobicContact CD1-CG2 3.69Å; Y114-I119 HydrophobicContact CE1-CB 3.76Å; Y114-I119 HydrophobicContact CE1-CD1 3.95Å; Y114-I119 HydrophobicContact CE1-CG1 4.27Å; Y114-I119 HydrophobicContact CE1-CG2 4.21Å; D115-I119 CarbonylContact C-O 3.49Å; A116-I119 PolarHBondContact N-O 2.95Å; A116-I119 PolarHBondContact O-N 3.25Å; F117-I119 VanDerWaalsContact C-N 3.34Å; I119-V174 HydrophobicContact CD1-CG1 4.47Å
120Q90.1Very high92.3Very high118 Ų11867.2 Ų67.255%0.55135%0.351SS*.EExtended strand (participates in β ladder)trans-127.889.7175.2-171-179.914.300108.5D115 S122 R123D115-Q120 WeakPolarHBondContact OD1-CA 3.22Å; Q120-S122 VanDerWaalsContact C-N 3.27Å; Q120-S122 WeakPolarHBondContact CG-OG 3.29Å; Q120-S122 PolarHBondContact O-N 3.11Å; Q120-R123 HydrophobicContact CB-CB 4.42Å; Q120-R123 HydrophobicContact CG-CB 4.25Å; Q120-R123 WeakPolarHBondContact O-CB 3.25Å; Q120-R123 PolarHBondContact O-N 3.26Å
121E90.2Very high92.2Very high33 Ų3370.8 Ų70.815%0.15437%0.369CS..G310 helixtrans-61.6-38177.9-175.1174.6-168.600110.7K110 L113 Y114 D115 R123 R124 V125K110-E121 IonicContact NZ-OE1 3.05Å; K110-E121 PolarHBondContact NZ-OE1 3.44Å; K110-E121 IonicContact NZ-OE2 3.81Å; K110-E121 PolarHBondContact NZ-OE2 2.77Å; L113-E121 HydrophobicContact CB-CB 4.22Å; L113-E121 HydrophobicContact CB-CG 4.3Å; L113-E121 HydrophobicContact CD2-CG 4.28Å; Y114-E121 PolarHBondContact N-OE2 3.45Å; Y114-E121 WeakPolarHBondContact O-CB 3.37Å; Y114-E121 PolarHBondContact O-N 2.93Å; D115-E121 PolarHBondContact OD1-N 2.89Å; E121-R123 PolarHBondContact O-N 2.89Å; E121-R124 PolarHBondContact O-N 3.46Å; E121-V125 HydrophobicContact CG-CB 3.9Å; E121-V125 HydrophobicContact CG-CG1 4.43Å; E121-V125 HydrophobicContact CG-CG2 3.8Å; E121-V125 WeakPolarHBondContact O-CB 3.3Å; E121-V125 PolarHBondContact O-N 2.99Å
122S93.5Very high92Very high31 Ų3169.2 Ų69.222%0.21736%0.362CS..G310 helixtrans-62.7-14.5179.568.60000114.9R91 D115 Q120 R124 V125R91-S122 PolarHBondContact NH1-O 3.09Å; R91-S122 PolarHBondContact NH2-O 3.36Å; D115-S122 WeakPolarHBondContact OD1-CB 3.4Å; D115-S122 PolarHBondContact OD1-N 3.05Å; D115-S122 PolarHBondContact OD1-OG 3.07Å; D115-S122 VanDerWaalsContact OD1-OG 3.13Å; D115-S122 WeakPolarHBondContact OD2-CB 3.46Å; D115-S122 PolarHBondContact OD2-OG 2.9Å; Q120-S122 VanDerWaalsContact C-N 3.27Å; Q120-S122 WeakPolarHBondContact CG-OG 3.29Å; Q120-S122 PolarHBondContact O-N 3.11Å; S122-R124 PolarHBondContact O-N 3Å; S122-V125 WeakPolarHBondContact CA-O 3.22Å
123R93.8Very high91.8Very high132 Ų13270.4 Ų70.450%0.49837%0.374SS..G310 helixtrans-55-36.7174.6-174179.773.31781.9111.5D51 R91 Q120 E121D51-R123 VanDerWaalsContact CG-NH2 3.32Å; D51-R123 IonicContact OD1-CZ 3.83Å; D51-R123 IonicContact OD1-NE 2.81Å; D51-R123 IonicContact OD1-NH2 2.86Å; D51-R123 PolarHBondContact OD1-NH2 2.83Å; D51-R123 IonicContact OD2-NH2 3.02Å; D51-R123 PolarHBondContact OD2-NH2 3.46Å; R91-R123 PolarHBondContact NH1-O 3.29Å; Q120-R123 HydrophobicContact CB-CB 4.42Å; Q120-R123 HydrophobicContact CG-CB 4.25Å; Q120-R123 WeakPolarHBondContact O-CB 3.25Å; Q120-R123 PolarHBondContact O-N 3.26Å; E121-R123 PolarHBondContact O-N 2.89Å
124R94.5Very high91.9Very high77 Ų7771 Ų7129%0.29138%0.377SS..THydrogen-bonded Turntrans-135.9-4.5-178.8-62.7-157.3-178.4174.714.7114.8D51 V54 R91 A92 E121 S122D51-R124 VanDerWaalsContact CG-NH2 3.35Å; D51-R124 WeakPolarHBondContact OD1-CD 3.39Å; D51-R124 IonicContact OD1-CZ 2.94Å; D51-R124 IonicContact OD1-NE 3.64Å; D51-R124 PolarHBondContact OD1-NE 3.46Å; D51-R124 IonicContact OD1-NH1 3.2Å; D51-R124 IonicContact OD1-NH2 2.82Å; D51-R124 IonicContact OD2-CZ 3.33Å; D51-R124 IonicContact OD2-NE 2.66Å; D51-R124 IonicContact OD2-NH1 3.09Å; D51-R124 PolarHBondContact OD2-NH1 3.31Å; D51-R124 IonicContact OD2-NH2 3.31Å; D51-R124 PolarHBondContact OD2-NH2 2.86Å; V54-R124 HydrophobicContact CB-CB 4.35Å; V54-R124 HydrophobicContact CG1-CB 4.16Å; V54-R124 HydrophobicContact CG2-CB 3.99Å; R91-R124 CarbonylContact C-O 3.52Å; R91-R124 VanDerWaalsContact CA-O 3.22Å; R91-R124 WeakPolarHBondContact CA-O 3.45Å; A92-R124 PolarHBondContact N-O 3.16Å; E121-R124 PolarHBondContact O-N 3.46Å; S122-R124 PolarHBondContact O-N 3Å
125V96.8Very high92.1Very high6 Ų670.4 Ų70.44%0.03638%0.376CS..EExtended strand (participates in β ladder)trans-109134.3176.8-174.40000110V54 R91 A92 N94 L113 E121 S122V54-V125 HydrophobicContact CG2-CG2 4.11Å; R91-V125 PolarHBondContact NH2-O 3.37Å; R91-V125 VanDerWaalsContact NH2-O 3.08Å; A92-V125 CarbonylContact O-C 3.56Å; A92-V125 WeakPolarHBondContact O-CA 3.46Å; N94-V125 HydrophobicContact CB-CG1 3.96Å; L113-V125 HydrophobicContact CD1-CB 4.31Å; L113-V125 HydrophobicContact CD1-CG1 4.38Å; L113-V125 WeakPolarHBondContact CD1-O 3.45Å; L113-V125 HydrophobicContact CD2-CB 4.35Å; L113-V125 HydrophobicContact CD2-CG1 3.75Å; E121-V125 HydrophobicContact CG-CB 3.9Å; E121-V125 HydrophobicContact CG-CG1 4.43Å; E121-V125 HydrophobicContact CG-CG2 3.8Å; E121-V125 WeakPolarHBondContact O-CB 3.3Å; E121-V125 PolarHBondContact O-N 2.99Å; S122-V125 WeakPolarHBondContact CA-O 3.22Å
126D97.7Very high92.5Very high38 Ų3873.2 Ų73.220%0.20339%0.386CS..EExtended strand (participates in β ladder)trans-91136.3170.8-69.9-48000110.1S87 R91 A92S87-D126 VanDerWaalsContact CB-OD2 3.23Å; S87-D126 WeakPolarHBondContact CB-OD2 3.28Å; S87-D126 PolarHBondContact OG-OD2 2.84Å; R91-D126 IonicContact CZ-OD1 2.97Å; R91-D126 IonicContact NE-OD1 3.77Å; R91-D126 PolarHBondContact NE-OD1 3.49Å; R91-D126 IonicContact NE-OD2 2.67Å; R91-D126 PolarHBondContact NE-OD2 3.25Å; R91-D126 IonicContact NH2-OD1 3.49Å; R91-D126 PolarHBondContact NH2-OD1 2.89Å; A92-D126 PolarHBondContact O-N 3.07Å
127A97.6Very high93.3Very high50 Ų5072.3 Ų72.341%0.41338%0.379SS..PPolyproline II helixtrans-73.6148.4174.900000110.5L113L113-A127 HydrophobicContact CD1-CB 4.07Å; L113-A127 HydrophobicContact CG-CB 4.07Å
128G97.3Very high94.1Very high14 Ų1469.4 Ų69.414%0.14437%0.368CS..PPolyproline II helixtrans-67.8174163.200000112K110 L111K110-G128 PolarHBondContact O-N 3.38Å; L111-G128 VanDerWaalsContact CD2-C 3.46Å; L111-G128 WeakPolarHBondContact CD2-O 3.46Å
129N96.3Very high94.8Very high142 Ų14266.8 Ų66.876%0.75935%0.351SS*.  trans-134.14.6179.762.7-19.5000113.6
130E96.3Very high95.5Very high143 Ų14363.4 Ų63.467%0.66833%0.333SS*.SBendtrans-135.3140.9-175.6-69176.7-177.400110.7Y108Y108-E130 WeakPolarHBondContact CE2-O 3.37Å
131I95.5Very high95.9Very high78 Ų7862 Ų6240%0.433%0.325SS..PPolyproline II helixtrans-70.6133.7168.1-61.9177.5000107.7L111 L155 A158L111-I131 HydrophobicContact CD1-CG1 4.27Å; I131-L155 HydrophobicContact CB-CD1 4.43Å; I131-L155 HydrophobicContact CD1-CD1 4.35Å; I131-L155 HydrophobicContact CG1-CD1 3.95Å; I131-L155 HydrophobicContact CG2-CD1 3.93Å; I131-A158 HydrophobicContact CD1-CB 3.83Å
132A93.4Very high96.3Very high3 Ų360.4 Ų60.43%0.02532%0.318CS..PPolyproline II helixtrans-59.5143.6179.300000111.9Y108 L144Y108-A132 HydrophobicContact CD2-CB 3.6Å; Y108-A132 HydrophobicContact CE2-CB 4.37Å; Y108-A132 HydrophobicContact CG-CB 3.75Å; A132-L144 HydrophobicContact CB-CB 3.72Å; A132-L144 HydrophobicContact CB-CD1 4.02Å; A132-L144 HydrophobicContact CB-CG 4.12Å
133P92.4Very high96.6Very high76 Ų7659 Ų5949%0.49431%0.308SS..PPolyproline II helixtrans-64.3153.2168.729.9-35.1000110.7
134L98.1Very high96.8Very high40 Ų4052.7 Ų52.721%0.20928%0.284CS..PPolyproline II helixtrans-67.6137.8167.9-55.4-170.3000109.9K141 V142 Q162 A164L134-K141 HydrophobicContact CD1-CB 4.12Å; L134-K141 HydrophobicContact CD1-CD 3.89Å; L134-K141 HydrophobicContact CD1-CG 4.45Å; L134-V142 WeakPolarHBondContact CA-O 3.4Å; L134-Q162 HydrophobicContact CD1-CB 3.76Å; L134-Q162 VanDerWaalsContact CD1-O 3.22Å; L134-Q162 WeakPolarHBondContact CD1-O 3.3Å; L134-Q162 HydrophobicContact CD2-CB 4.37Å; L134-Q162 HydrophobicContact CG-CB 4.11Å; L134-A164 HydrophobicContact CD2-CB 3.95Å
135L97.6Very high97Very high20 Ų2049 Ų4911%0.10527%0.27CS..EExtended strand (participates in β ladder)trans-95.8147.9167.6-74.1175.5000110.2I80 A98 V105 A106 K141 V142 L144I80-L135 HydrophobicContact CD1-CD1 4.4Å; A98-L135 HydrophobicContact CB-CD1 3.31Å; V105-L135 HydrophobicContact CG2-CD2 4.16Å; A106-L135 HydrophobicContact CB-CD1 3.95Å; A106-L135 HydrophobicContact CB-CD2 3.46Å; A106-L135 VanDerWaalsContact CB-CD2 3.46Å; A106-L135 HydrophobicContact CB-CG 3.86Å; L135-K141 CarbonylContact O-C 3.49Å; L135-K141 WeakPolarHBondContact O-CA 3.09Å; L135-V142 HydrophobicContact CB-CB 4.25Å; L135-V142 PolarHBondContact N-O 3.33Å; L135-V142 PolarHBondContact O-N 2.84Å; L135-L144 HydrophobicContact CD1-CD1 4.02Å; L135-L144 HydrophobicContact CD1-CD2 3.96Å; L135-L144 HydrophobicContact CG-CD1 4.32Å
136E97.6Very high97.1Very high139 Ų13948.7 Ų48.765%0.6527%0.269SS*.EExtended strand (participates in β ladder)trans-103.6126.2170.4-167.8173.8133.700109.7
137V98Very high97.1Very high5 Ų547.3 Ų47.33%0.0326%0.262CS..EExtended strand (participates in β ladder)trans-132.5115.4176-173.90000108M1 L35 T78 G139 M140 V142M1-V137 HydrophobicContact CE-CB 4.48Å; M1-V137 HydrophobicContact SD-CB 4.39Å; M1-V137 HydrophobicContact SD-CG1 3.94Å; L35-V137 HydrophobicContact CB-CG1 4.27Å; L35-V137 HydrophobicContact CD1-CG2 4.39Å; T78-V137 HydrophobicContact CG2-CG2 4.03Å; V137-G139 PolarHBondContact O-N 3.07Å; V137-M140 PolarHBondContact N-O 3.46Å; V137-M140 PolarHBondContact O-N 3.39Å; V137-V142 HydrophobicContact CB-CG2 4.15Å; V137-V142 HydrophobicContact CG2-CG2 3.88Å
138E95.8Very high97.1Very high135 Ų13547 Ų4763%0.63125%0.25SC*.THydrogen-bonded Turntrans46.444.2-177-65.4-169.6-173.500114.3M1 S34 M140M1-E138 HydrophobicContact CB-CB 4.3Å; M1-E138 WeakPolarHBondContact CB-OE2 3.14Å; M1-E138 HydrophobicContact SD-CB 4.05Å; S34-E138 VanDerWaalsContact CB-CD 3.48Å; S34-E138 VanDerWaalsContact CB-OE1 3.25Å; S34-E138 WeakPolarHBondContact CB-OE1 3.49Å; S34-E138 PolarHBondContact OG-OE1 3.32Å; S34-E138 PolarHBondContact OG-OE2 3.3Å; E138-M140 PolarHBondContact O-N 3.18Å
139G95.8Very high97.1Very high50 Ų5046.3 Ų46.352%0.51524%0.243SC..THydrogen-bonded Turntrans773.1178.300000115.1V137V137-G139 PolarHBondContact O-N 3.07Å
140M98Very high97.2Very high1 Ų139.5 Ų39.51%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-103.3138171.3-66.2-172.277.700111.2M1 V137 E138 E165 I166 Y197 V236 P238 V241M1-M140 HydrophobicContact CE-CB 4.01Å; M1-M140 HydrophobicContact CE-CG 4.43Å; M1-M140 HydrophobicContact CE-SD 4.02Å; M1-M140 HydrophobicContact CG-SD 4.45Å; V137-M140 PolarHBondContact N-O 3.46Å; V137-M140 PolarHBondContact O-N 3.39Å; E138-M140 PolarHBondContact O-N 3.18Å; M140-E165 WeakPolarHBondContact CA-OE2 3.48Å; M140-E165 HydrophobicContact CE-CB 3.86Å; M140-I166 HydrophobicContact CB-CD1 4.29Å; M140-I166 HydrophobicContact CE-CD1 3.92Å; M140-I166 HydrophobicContact CE-CG1 3.87Å; M140-I166 HydrophobicContact SD-CD1 4.03Å; M140-Y197 HydrophobicContact CE-CD2 4.48Å; M140-V236 HydrophobicContact SD-CG2 3.98Å; M140-P238 HydrophobicContact CE-CG 4.3Å; M140-P238 HydrophobicContact CG-CG 3.71Å; M140-P238 HydrophobicContact SD-CG 3.87Å; M140-V241 HydrophobicContact CE-CG2 4.35Å
141K98.5Very high97.3Very high89 Ų8936.2 Ų36.239%0.38719%0.188SC..EExtended strand (participates in β ladder)trans-85.7127.8176.8-69.5178.5176.6-175.90111.6L134 L135 G163 E165 I166L134-K141 HydrophobicContact CD1-CB 4.12Å; L134-K141 HydrophobicContact CD1-CD 3.89Å; L134-K141 HydrophobicContact CD1-CG 4.45Å; L135-K141 CarbonylContact O-C 3.49Å; L135-K141 WeakPolarHBondContact O-CA 3.09Å; K141-G163 WeakPolarHBondContact CB-O 3.46Å; K141-G163 WeakPolarHBondContact CD-O 3.45Å; K141-E165 PolarHBondContact N-OE2 2.77Å; K141-E165 PolarHBondContact O-N 3.42Å; K141-I166 PolarHBondContact O-N 3.27Å; K141-I166 VanDerWaalsContact O-N 3.13Å
142V98.8Very high97.4Very high0 Ų035.4 Ų35.40%018%0.182CC..EExtended strand (participates in β ladder)trans-113.3118.5-174.7-1740000109.8L35 I80 L134 L135 V137 L144 I166 V168L35-V142 HydrophobicContact CD2-CG1 4.05Å; L35-V142 HydrophobicContact CD2-CG2 3.92Å; I80-V142 HydrophobicContact CD1-CG1 4.33Å; L134-V142 WeakPolarHBondContact CA-O 3.4Å; L135-V142 HydrophobicContact CB-CB 4.25Å; L135-V142 PolarHBondContact N-O 3.33Å; L135-V142 PolarHBondContact O-N 2.84Å; V137-V142 HydrophobicContact CB-CG2 4.15Å; V137-V142 HydrophobicContact CG2-CG2 3.88Å; V142-L144 HydrophobicContact CG1-CD2 4.26Å; V142-I166 CarbonylContact C-O 3.54Å; V142-I166 WeakPolarHBondContact CA-O 3.38Å; V142-I166 HydrophobicContact CG2-CB 4.4Å; V142-V168 HydrophobicContact CG1-CG1 3.55Å; V142-V168 HydrophobicContact CG1-CG2 4.26Å
143G98.6Very high97.6Very high0 Ų037 Ų370%019%0.192CC..EExtended strand (participates in β ladder)trans-92.4143.417300000112.5I166 L167 V168G143-I166 PolarHBondContact N-O 3.29Å; G143-L167 WeakPolarHBondContact O-CA 3.32Å; G143-V168 WeakPolarHBondContact O-CG2 3.34Å; G143-V168 PolarHBondContact O-N 2.96Å
144L98.6Very high97.8Very high0 Ų039.5 Ų39.50%020%0.197CC..EExtended strand (participates in β ladder)trans-109.2128.5-170.1-45.7-179.1000111.3I80 L96 A106 A132 L135 V142 Q159 V168I80-L144 HydrophobicContact CD1-CD2 3.82Å; L96-L144 HydrophobicContact CD1-CB 4.19Å; L96-L144 HydrophobicContact CD2-CB 4.13Å; L96-L144 HydrophobicContact CD2-CD1 3.71Å; L96-L144 HydrophobicContact CD2-CD2 4.38Å; L96-L144 HydrophobicContact CD2-CG 4.29Å; A106-L144 HydrophobicContact CB-CD1 4.11Å; A132-L144 HydrophobicContact CB-CB 3.72Å; A132-L144 HydrophobicContact CB-CD1 4.02Å; A132-L144 HydrophobicContact CB-CG 4.12Å; L135-L144 HydrophobicContact CD1-CD1 4.02Å; L135-L144 HydrophobicContact CD1-CD2 3.96Å; L135-L144 HydrophobicContact CG-CD1 4.32Å; V142-L144 HydrophobicContact CG1-CD2 4.26Å; L144-Q159 PolarHBondContact O-NE2 3.22Å; L144-V168 HydrophobicContact CD2-CG2 3.55Å
145M98.6Very high97.8Very high0 Ų037.9 Ų37.90%019%0.189CC..  trans-139.7157.1175.5-61.2174.46300109.4D149 L155 A156 L167 V168 L169 P170M145-D149 HydrophobicContact CB-CB 4.07Å; M145-D149 HydrophobicContact CE-CB 3.99Å; M145-D149 WeakPolarHBondContact CE-O 3.33Å; M145-L155 HydrophobicContact CE-CD2 4.44Å; M145-L155 HydrophobicContact CG-CD2 4.12Å; M145-L155 HydrophobicContact CG-CG 4.29Å; M145-A156 HydrophobicContact CE-CB 4.11Å; M145-A156 HydrophobicContact SD-CB 3.88Å; M145-L167 HydrophobicContact SD-CD1 4.38Å; M145-V168 PolarHBondContact N-O 3.09Å; M145-V168 VanDerWaalsContact N-O 3.12Å; M145-L169 HydrophobicContact CB-CD1 3.61Å; M145-P170 VanDerWaalsContact O-CD 3.25Å; M145-P170 WeakPolarHBondContact O-CD 3.25Å
146T98.6Very high97.9Very high0 Ų037 Ų370%018%0.184CC..  trans-129.6115.1177.4-56.40000111E40 T82 K110 Y148 D149E40-T146 HydrophobicContact CG-CG2 4.09Å; T82-T146 HydrophobicContact CG2-CG2 3.86Å; K110-T146 HydrophobicContact CB-CG2 4.3Å; K110-T146 HydrophobicContact CD-CG2 3.83Å; K110-T146 HydrophobicContact CG-CG2 4.15Å; T146-Y148 PolarHBondContact O-N 2.97Å; T146-D149 WeakPolarHBondContact CA-OD2 3.4Å; T146-D149 PolarHBondContact N-OD2 2.89Å; T146-D149 VanDerWaalsContact O-CB 3.3Å; T146-D149 WeakPolarHBondContact O-CB 3.44Å; T146-D149 VanDerWaalsContact O-CG 3.31Å; T146-D149 PolarHBondContact O-N 2.82Å; T146-D149 VanDerWaalsContact O-N 3.1Å
147C98.1Very high97.9Very high9 Ų933.7 Ų33.76%0.06117%0.17CC..G310 helixtrans45.5-99.5168.5-168.30000115.6E40 D149 L150 P170 A171E40-C147 VanDerWaalsContact CD-CB 3.41Å; E40-C147 WeakPolarHBondContact OE1-CB 3.32Å; E40-C147 WeakPolarHBondContact OE2-CB 3.39Å; E40-C147 PolarHBondContact OE2-SG 3.05Å; C147-D149 PolarHBondContact O-N 3.13Å; C147-L150 WeakPolarHBondContact O-CB 3.41Å; C147-L150 PolarHBondContact O-N 2.8Å; C147-P170 PolarHBondContact N-O 2.91Å; C147-A171 HydrophobicContact CB-CB 4.03Å
148Y97.5Very high97.9Very high42 Ų4234.6 Ų34.617%0.16518%0.178CC..G310 helixtrans-64-21.8-173.6-166.1-126.6000113.4H112 L113 Y114 T146 L150 R151 F152H112-Y148 HydrophobicContact CB-CD1 4.08Å; L113-Y148 WeakPolarHBondContact O-CD1 3.37Å; L113-Y148 WeakPolarHBondContact O-CE1 3.48Å; Y114-Y148 HydrophobicContact CD2-CD1 4.32Å; Y114-Y148 AromaticContact CD2-CD2 3.53Å; Y114-Y148 HydrophobicContact CD2-CD2 3.53Å; Y114-Y148 HydrophobicContact CD2-CE1 4.13Å; Y114-Y148 AromaticContact CD2-CE2 3.28Å; Y114-Y148 HydrophobicContact CD2-CE2 3.28Å; Y114-Y148 HydrophobicContact CD2-CG 4.05Å; Y114-Y148 AromaticContact CD2-CZ 3.63Å; Y114-Y148 HydrophobicContact CE2-CD2 4.2Å; Y114-Y148 AromaticContact CE2-CE2 3.67Å; Y114-Y148 HydrophobicContact CE2-CE2 3.67Å; Y114-Y148 HydrophobicContact CG-CD2 4.49Å; Y114-Y148 HydrophobicContact CG-CE2 4.49Å; T146-Y148 PolarHBondContact O-N 2.97Å; Y148-L150 PolarHBondContact O-N 3.49Å; Y148-R151 HydrophobicContact CD2-CG 3.93Å; Y148-R151 HydrophobicContact CE2-CB 4.36Å; Y148-R151 HydrophobicContact CE2-CG 3.84Å; Y148-R151 WeakPolarHBondContact O-CB 3.36Å; Y148-R151 PolarHBondContact O-N 3.24Å; Y148-F152 AromaticContact CD1-CE2 3.67Å; Y148-F152 HydrophobicContact CD1-CE2 3.67Å; Y148-F152 HydrophobicContact CD1-CZ 4.24Å; Y148-F152 AromaticContact CE1-CE2 3.59Å; Y148-F152 HydrophobicContact CE1-CE2 3.59Å; Y148-F152 AromaticContact CE1-CZ 3.75Å; Y148-F152 HydrophobicContact CE1-CZ 3.75Å; Y148-F152 HydrophobicContact CG-CE2 4.29Å; Y148-F152 WeakPolarHBondContact O-CD2 3.36Å; Y148-F152 WeakPolarHBondContact O-CE2 3.27Å
149D98.1Very high98Very high0 Ų028.1 Ų28.10%015%0.148CC..G310 helixtrans-47.5-31.4166.3-75.6-24.5000113Y108 H112 M145 T146 C147 R151 F152 L155Y108-D149 WeakPolarHBondContact CE1-OD2 3.35Å; Y108-D149 PolarHBondContact OH-OD1 3.01Å; Y108-D149 PolarHBondContact OH-OD2 3.27Å; H112-D149 IonicContact CE1-OD1 3.32Å; H112-D149 IonicContact CG-OD1 3.94Å; H112-D149 PolarHBondContact N-OD1 2.92Å; H112-D149 IonicContact ND1-OD1 4Å; H112-D149 PolarHBondContact ND1-OD1 3.08Å; M145-D149 HydrophobicContact CB-CB 4.07Å; M145-D149 HydrophobicContact CE-CB 3.99Å; M145-D149 WeakPolarHBondContact CE-O 3.33Å; T146-D149 WeakPolarHBondContact CA-OD2 3.4Å; T146-D149 PolarHBondContact N-OD2 2.89Å; T146-D149 VanDerWaalsContact O-CB 3.3Å; T146-D149 WeakPolarHBondContact O-CB 3.44Å; T146-D149 VanDerWaalsContact O-CG 3.31Å; T146-D149 PolarHBondContact O-N 2.82Å; T146-D149 VanDerWaalsContact O-N 3.1Å; C147-D149 PolarHBondContact O-N 3.13Å; D149-R151 PolarHBondContact O-N 2.86Å; D149-R151 VanDerWaalsContact O-N 3.09Å; D149-F152 PolarHBondContact O-N 2.81Å; D149-L155 HydrophobicContact CB-CD2 3.73Å
150L98.2Very high98.1Very high0 Ų026.9 Ų26.90%013%0.133CC..G310 helixtrans-54-29.7176.3179.758.6000113.5C147 Y148 F152 L169 W173 W183 L186 L187 R190 M198C147-L150 WeakPolarHBondContact O-CB 3.41Å; C147-L150 PolarHBondContact O-N 2.8Å; Y148-L150 PolarHBondContact O-N 3.49Å; L150-F152 VanDerWaalsContact C-N 3.27Å; L150-F152 PolarHBondContact O-N 2.98Å; L150-L169 HydrophobicContact CB-CD1 4.26Å; L150-L169 HydrophobicContact CB-CD2 3.91Å; L150-L169 HydrophobicContact CD1-CD2 4.19Å; L150-L169 HydrophobicContact CD2-CD2 3.79Å; L150-L169 HydrophobicContact CG-CD2 4.16Å; L150-W173 HydrophobicContact CB-CZ3 4.43Å; L150-W173 HydrophobicContact CD2-CH2 4.24Å; L150-W173 HydrophobicContact CD2-CZ3 4.28Å; L150-W183 HydrophobicContact CD2-CE3 3.75Å; L150-W183 HydrophobicContact CD2-CZ3 3.79Å; L150-L186 HydrophobicContact CD1-CB 4.01Å; L150-L186 HydrophobicContact CD2-CB 3.81Å; L150-L186 HydrophobicContact CD2-CD1 4.4Å; L150-L186 HydrophobicContact CG-CB 3.7Å; L150-L186 HydrophobicContact CG-CD1 4.3Å; L150-L187 HydrophobicContact CD1-CD2 3.91Å; L150-L187 HydrophobicContact CD2-CD2 3.89Å; L150-L187 HydrophobicContact CD2-CG 4.05Å; L150-R190 HydrophobicContact CD1-CB 4.46Å; L150-R190 HydrophobicContact CD1-CG 3.48Å; L150-R190 VanDerWaalsContact CD1-CG 3.48Å; L150-R190 PolarHBondContact O-NE 3.13Å; L150-M198 HydrophobicContact CD1-CE 4.46Å
151R97.3Very high98Very high73 Ų7334.2 Ų34.228%0.27517%0.171SC..G310 helixtrans-76.5-13.5-179.7-63.7-150.7-178.2-107.4-8.5114.1Y148 D149 P153 W173 L186Y148-R151 HydrophobicContact CD2-CG 3.93Å; Y148-R151 HydrophobicContact CE2-CB 4.36Å; Y148-R151 HydrophobicContact CE2-CG 3.84Å; Y148-R151 WeakPolarHBondContact O-CB 3.36Å; Y148-R151 PolarHBondContact O-N 3.24Å; D149-R151 PolarHBondContact O-N 2.86Å; D149-R151 VanDerWaalsContact O-N 3.09Å; R151-P153 VanDerWaalsContact O-CD 3.22Å; R151-P153 WeakPolarHBondContact O-CD 3.25Å; R151-W173 HydrophobicContact CG-CH2 3.94Å; R151-L186 HydrophobicContact CG-CD1 4.03Å
152F97.5Very high97.9Very high62 Ų6234.6 Ų34.627%0.27217%0.174SC..  trans-108.589.3-175-58.2-93.1000108.2H112 Y148 D149 L150 E154 L155H112-F152 HydrophobicContact CB-CD2 3.6Å; H112-F152 HydrophobicContact CB-CE2 3.32Å; H112-F152 HydrophobicContact CB-CG 4.39Å; H112-F152 HydrophobicContact CB-CZ 3.89Å; H112-F152 AromaticContact CD2-CD1 3.52Å; H112-F152 AromaticContact CD2-CD2 3.64Å; H112-F152 AromaticContact CD2-CE1 3.64Å; H112-F152 AromaticContact CD2-CE2 3.78Å; H112-F152 AromaticContact CD2-CG 3.52Å; H112-F152 AromaticContact CD2-CZ 3.77Å; H112-F152 AromaticContact CE1-CG 3.81Å; H112-F152 AromaticContact CG-CD2 3.34Å; H112-F152 AromaticContact CG-CE2 3.52Å; H112-F152 AromaticContact CG-CG 3.67Å; H112-F152 AromaticContact CG-CZ 3.96Å; H112-F152 AromaticContact ND1-CD2 3.68Å; H112-F152 AromaticContact ND1-CG 3.86Å; H112-F152 AromaticContact NE2-CD1 3.71Å; H112-F152 AromaticContact NE2-CG 3.62Å; Y148-F152 AromaticContact CD1-CE2 3.67Å; Y148-F152 HydrophobicContact CD1-CE2 3.67Å; Y148-F152 HydrophobicContact CD1-CZ 4.24Å; Y148-F152 AromaticContact CE1-CE2 3.59Å; Y148-F152 HydrophobicContact CE1-CE2 3.59Å; Y148-F152 AromaticContact CE1-CZ 3.75Å; Y148-F152 HydrophobicContact CE1-CZ 3.75Å; Y148-F152 HydrophobicContact CG-CE2 4.29Å; Y148-F152 WeakPolarHBondContact O-CD2 3.36Å; Y148-F152 WeakPolarHBondContact O-CE2 3.27Å; D149-F152 PolarHBondContact O-N 2.81Å; L150-F152 VanDerWaalsContact C-N 3.27Å; L150-F152 PolarHBondContact O-N 2.98Å; F152-E154 VanDerWaalsContact C-OE2 3.31Å; F152-E154 PolarHBondContact O-N 2.94Å; F152-E154 VanDerWaalsContact O-N 3.09Å; F152-L155 PolarHBondContact O-N 3.39Å; F152-L155 VanDerWaalsContact O-N 3.16Å
153P97.8Very high97.9Very high37 Ų3736 Ų3624%0.2419%0.19CC..Hα-helixtrans-53.4-30.4-17819.5-30.9000113.1R151 L155 A156 L157R151-P153 VanDerWaalsContact O-CD 3.22Å; R151-P153 WeakPolarHBondContact O-CD 3.25Å; P153-L155 VanDerWaalsContact C-N 3.26Å; P153-L155 PolarHBondContact O-N 2.9Å; P153-A156 PolarHBondContact O-N 2.84Å; P153-L157 WeakPolarHBondContact O-CB 3.33Å; P153-L157 WeakPolarHBondContact O-CG 3.26Å; P153-L157 PolarHBondContact O-N 3.09Å
154E97.6Very high97.8Very high127 Ų12736.4 Ų36.459%0.59319%0.193SC*.Hα-helixtrans-57.6-37.3-179-5985.2170.500112.2F152 A158F152-E154 VanDerWaalsContact C-OE2 3.31Å; F152-E154 PolarHBondContact O-N 2.94Å; F152-E154 VanDerWaalsContact O-N 3.09Å; E154-A158 WeakPolarHBondContact O-CB 3.34Å; E154-A158 PolarHBondContact O-N 3.36Å
155L97.9Very high97.8Very high7 Ų737.9 Ų37.94%0.03720%0.199CC..Hα-helixtrans-69.2-44.8177.9-179.960.4000111.5L111 I131 M145 D149 F152 P153 A158 Q159L111-L155 HydrophobicContact CD1-CD1 3.95Å; L111-L155 HydrophobicContact CD1-CD2 4.32Å; I131-L155 HydrophobicContact CB-CD1 4.43Å; I131-L155 HydrophobicContact CD1-CD1 4.35Å; I131-L155 HydrophobicContact CG1-CD1 3.95Å; I131-L155 HydrophobicContact CG2-CD1 3.93Å; M145-L155 HydrophobicContact CE-CD2 4.44Å; M145-L155 HydrophobicContact CG-CD2 4.12Å; M145-L155 HydrophobicContact CG-CG 4.29Å; D149-L155 HydrophobicContact CB-CD2 3.73Å; F152-L155 PolarHBondContact O-N 3.39Å; F152-L155 VanDerWaalsContact O-N 3.16Å; P153-L155 VanDerWaalsContact C-N 3.26Å; P153-L155 PolarHBondContact O-N 2.9Å; L155-A158 PolarHBondContact O-N 3.5Å; L155-Q159 VanDerWaalsContact O-CG 3.29Å; L155-Q159 WeakPolarHBondContact O-CG 3.31Å; L155-Q159 PolarHBondContact O-N 3.18Å
156A98.3Very high97.8Very high0 Ų037.9 Ų37.90%020%0.199CC..Hα-helixtrans-63.2-43.6177.400000111M145 P153 Q159 A160 L167 R190 T194M145-A156 HydrophobicContact CE-CB 4.11Å; M145-A156 HydrophobicContact SD-CB 3.88Å; P153-A156 PolarHBondContact O-N 2.84Å; A156-Q159 PolarHBondContact O-N 2.91Å; A156-A160 WeakPolarHBondContact O-CB 3.2Å; A156-A160 PolarHBondContact O-N 3.01Å; A156-L167 HydrophobicContact CB-CD1 3.87Å; A156-R190 HydrophobicContact CB-CG 4.3Å; A156-T194 HydrophobicContact CB-CG2 3.82Å
157L97.8Very high97.9Very high70 Ų7037.9 Ų37.937%0.36620%0.199SC..Hα-helixtrans-63.3-40.9175.2-72170.4000111.8P153 Q159 A160 L161 T194P153-L157 WeakPolarHBondContact O-CB 3.33Å; P153-L157 WeakPolarHBondContact O-CG 3.26Å; P153-L157 PolarHBondContact O-N 3.09Å; L157-Q159 VanDerWaalsContact C-N 3.35Å; L157-Q159 PolarHBondContact O-N 2.97Å; L157-A160 PolarHBondContact O-N 2.99Å; L157-L161 WeakPolarHBondContact O-CB 3.32Å; L157-L161 VanDerWaalsContact O-CG 3.27Å; L157-L161 WeakPolarHBondContact O-CG 3.39Å; L157-L161 PolarHBondContact O-N 3.18Å; L157-T194 HydrophobicContact CD2-CG2 4.22Å
158A97.7Very high97.9Very high24 Ų2437.4 Ų37.420%0.19820%0.197CC..Hα-helixtrans-63.2-39.7177.400000112.4I131 E154 L155 Q162I131-A158 HydrophobicContact CD1-CB 3.83Å; E154-A158 WeakPolarHBondContact O-CB 3.34Å; E154-A158 PolarHBondContact O-N 3.36Å; L155-A158 PolarHBondContact O-N 3.5Å; A158-Q162 WeakPolarHBondContact O-CG 3.49Å; A158-Q162 PolarHBondContact O-N 2.85Å; A158-Q162 PolarHBondContact O-NE2 2.88Å
159Q98.1Very high98Very high0 Ų035.4 Ų35.40%019%0.189CC..Hα-helixtrans-63.3-46.1172.9-67.3-88.25.300110.9L144 L155 A156 L157 L161 Q162 G163 A164 L167L144-Q159 PolarHBondContact O-NE2 3.22Å; L155-Q159 VanDerWaalsContact O-CG 3.29Å; L155-Q159 WeakPolarHBondContact O-CG 3.31Å; L155-Q159 PolarHBondContact O-N 3.18Å; A156-Q159 PolarHBondContact O-N 2.91Å; L157-Q159 VanDerWaalsContact C-N 3.35Å; L157-Q159 PolarHBondContact O-N 2.97Å; Q159-L161 PolarHBondContact O-N 2.73Å; Q159-Q162 WeakPolarHBondContact O-CB 3.43Å; Q159-Q162 PolarHBondContact O-N 3Å; Q159-G163 PolarHBondContact O-N 2.94Å; Q159-A164 HydrophobicContact CB-CB 4.18Å; Q159-A164 VanDerWaalsContact O-CB 3.25Å; Q159-A164 WeakPolarHBondContact O-CB 3.44Å; Q159-A164 PolarHBondContact O-N 2.76Å; Q159-A164 VanDerWaalsContact O-N 3.07Å; Q159-L167 HydrophobicContact CB-CD2 3.59Å; Q159-L167 HydrophobicContact CG-CD2 4.19Å
160A97.5Very high98Very high23 Ų2335.4 Ų35.419%0.1919%0.189CC..Hα-helixtrans-63.6-41.4179.400000112.8A156 L157 Q162 G163 T194A156-A160 WeakPolarHBondContact O-CB 3.2Å; A156-A160 PolarHBondContact O-N 3.01Å; L157-A160 PolarHBondContact O-N 2.99Å; A160-Q162 PolarHBondContact O-N 3.49Å; A160-G163 VanDerWaalsContact O-CA 3.3Å; A160-G163 WeakPolarHBondContact O-CA 3.41Å; A160-G163 PolarHBondContact O-N 3.18Å; A160-T194 HydrophobicContact CB-CG2 3.96Å
161L97.1Very high98Very high155 Ų15535.4 Ų35.481%0.81219%0.189SC*.Hα-helixtrans-65.7-25.3175.8-72.4171000112.9L157 Q159 G163L157-L161 WeakPolarHBondContact O-CB 3.32Å; L157-L161 VanDerWaalsContact O-CG 3.27Å; L157-L161 WeakPolarHBondContact O-CG 3.39Å; L157-L161 PolarHBondContact O-N 3.18Å; Q159-L161 PolarHBondContact O-N 2.73Å; L161-G163 PolarHBondContact O-N 3.23Å
162Q97Very high98Very high97 Ų9733 Ų3345%0.45318%0.184SC..THydrogen-bonded Turntrans-77.2-6.8169.5-68.8173.757.500112.8L134 A158 Q159 A160L134-Q162 HydrophobicContact CD1-CB 3.76Å; L134-Q162 VanDerWaalsContact CD1-O 3.22Å; L134-Q162 WeakPolarHBondContact CD1-O 3.3Å; L134-Q162 HydrophobicContact CD2-CB 4.37Å; L134-Q162 HydrophobicContact CG-CB 4.11Å; A158-Q162 WeakPolarHBondContact O-CG 3.49Å; A158-Q162 PolarHBondContact O-N 2.85Å; A158-Q162 PolarHBondContact O-NE2 2.88Å; Q159-Q162 WeakPolarHBondContact O-CB 3.43Å; Q159-Q162 PolarHBondContact O-N 3Å; A160-Q162 PolarHBondContact O-N 3.49Å
163G97.1Very high97.9Very high31 Ų3130.5 Ų30.532%0.3217%0.173SC..THydrogen-bonded Turntrans101.120.7177.300000114.4K141 Q159 A160 L161 E165K141-G163 WeakPolarHBondContact CB-O 3.46Å; K141-G163 WeakPolarHBondContact CD-O 3.45Å; Q159-G163 PolarHBondContact O-N 2.94Å; A160-G163 VanDerWaalsContact O-CA 3.3Å; A160-G163 WeakPolarHBondContact O-CA 3.41Å; A160-G163 PolarHBondContact O-N 3.18Å; L161-G163 PolarHBondContact O-N 3.23Å; G163-E165 PolarHBondContact O-N 3.03Å
164A98.4Very high97.8Very high8 Ų830.9 Ų30.97%0.06617%0.174CC..  trans-59.4136171.500000111L134 Q159 L167 C196L134-A164 HydrophobicContact CD2-CB 3.95Å; Q159-A164 HydrophobicContact CB-CB 4.18Å; Q159-A164 VanDerWaalsContact O-CB 3.25Å; Q159-A164 WeakPolarHBondContact O-CB 3.44Å; Q159-A164 PolarHBondContact O-N 2.76Å; Q159-A164 VanDerWaalsContact O-N 3.07Å; A164-L167 HydrophobicContact CB-CD2 3.99Å; A164-C196 PolarHBondContact O-SG 2.94Å
165E98.3Very high97.5Very high30 Ų3029.1 Ų29.114%0.1416%0.162CC..SBendtrans-107.8-21.3174.4-68.9174.4108.100111.1M140 K141 G163 C196 Y197 V241 R242M140-E165 WeakPolarHBondContact CA-OE2 3.48Å; M140-E165 HydrophobicContact CE-CB 3.86Å; K141-E165 PolarHBondContact N-OE2 2.77Å; K141-E165 PolarHBondContact O-N 3.42Å; G163-E165 PolarHBondContact O-N 3.03Å; E165-C196 WeakPolarHBondContact O-CA 3.21Å; E165-C196 WeakPolarHBondContact O-CB 3.07Å; E165-Y197 PolarHBondContact O-N 2.98Å; E165-V241 HydrophobicContact CB-CG1 4.43Å; E165-V241 HydrophobicContact CB-CG2 4.19Å; E165-V241 HydrophobicContact CG-CG1 4.18Å; E165-R242 IonicContact OE1-NH1 2.69Å
166I98.8Very high97.3Very high0 Ų030.1 Ų30.10%017%0.174CC..EExtended strand (participates in β ladder)trans-132.4136.8176.5-53.1-179.6000108M1 L35 M140 K141 V142 G143 V168 Y197 V199 V236M1-I166 HydrophobicContact CE-CD1 3.08Å; L35-I166 HydrophobicContact CD2-CD1 4.42Å; L35-I166 HydrophobicContact CD2-CG2 4.19Å; M140-I166 HydrophobicContact CB-CD1 4.29Å; M140-I166 HydrophobicContact CE-CD1 3.92Å; M140-I166 HydrophobicContact CE-CG1 3.87Å; M140-I166 HydrophobicContact SD-CD1 4.03Å; K141-I166 PolarHBondContact O-N 3.27Å; K141-I166 VanDerWaalsContact O-N 3.13Å; V142-I166 CarbonylContact C-O 3.54Å; V142-I166 WeakPolarHBondContact CA-O 3.38Å; V142-I166 HydrophobicContact CG2-CB 4.4Å; G143-I166 PolarHBondContact N-O 3.29Å; I166-V168 HydrophobicContact CG2-CG1 4.38Å; I166-Y197 CarbonylContact C-O 3.57Å; I166-Y197 WeakPolarHBondContact CA-O 3.06Å; I166-Y197 HydrophobicContact CG1-CD2 4.47Å; I166-V199 HydrophobicContact CG2-CG2 3.83Å; I166-V236 HydrophobicContact CD1-CG2 3.78Å
167L98.8Very high97.1Very high0 Ų036 Ų360%021%0.212CC..EExtended strand (participates in β ladder)trans-112.8130.9169.5-61.8176.4000108.8G143 M145 A156 Q159 A164 T194 C196 Y197 M198 V199G143-L167 WeakPolarHBondContact O-CA 3.32Å; M145-L167 HydrophobicContact SD-CD1 4.38Å; A156-L167 HydrophobicContact CB-CD1 3.87Å; Q159-L167 HydrophobicContact CB-CD2 3.59Å; Q159-L167 HydrophobicContact CG-CD2 4.19Å; A164-L167 HydrophobicContact CB-CD2 3.99Å; L167-T194 HydrophobicContact CD1-CG2 3.97Å; L167-C196 HydrophobicContact CD1-CB 4.27Å; L167-C196 HydrophobicContact CG-CB 4.01Å; L167-Y197 PolarHBondContact N-O 2.66Å; L167-M198 HydrophobicContact CB-CE 4.28Å; L167-M198 HydrophobicContact CB-SD 3.53Å; L167-M198 VanDerWaalsContact CB-SD 3.53Å; L167-M198 HydrophobicContact CD1-SD 3.81Å; L167-M198 HydrophobicContact CG-SD 4.25Å; L167-M198 CarbonylContact O-C 3.54Å; L167-M198 WeakPolarHBondContact O-CA 3.38Å; L167-V199 PolarHBondContact O-N 3.18Å
168V98.9Very high97Very high0 Ų038.2 Ų38.20%022%0.224CC..EExtended strand (participates in β ladder)trans-106.7146.4177.4-58.40000111L35 V37 I80 V142 G143 L144 M145 I166 V199L35-V168 HydrophobicContact CD2-CG1 3.98Å; V37-V168 HydrophobicContact CG1-CB 4.45Å; V37-V168 HydrophobicContact CG2-CB 3.88Å; V37-V168 HydrophobicContact CG2-CG1 3.71Å; I80-V168 HydrophobicContact CD1-CB 4.36Å; I80-V168 HydrophobicContact CD1-CG1 4.11Å; I80-V168 HydrophobicContact CD1-CG2 3.72Å; I80-V168 HydrophobicContact CG2-CG2 4.11Å; V142-V168 HydrophobicContact CG1-CG1 3.55Å; V142-V168 HydrophobicContact CG1-CG2 4.26Å; G143-V168 WeakPolarHBondContact O-CG2 3.34Å; G143-V168 PolarHBondContact O-N 2.96Å; L144-V168 HydrophobicContact CD2-CG2 3.55Å; M145-V168 PolarHBondContact N-O 3.09Å; M145-V168 VanDerWaalsContact N-O 3.12Å; I166-V168 HydrophobicContact CG2-CG1 4.38Å; V168-V199 WeakPolarHBondContact CA-O 2.94Å; V168-V199 HydrophobicContact CG1-CB 4.33Å
169L98.8Very high96.8Very high0 Ų038.6 Ų38.60%022%0.221CC..EExtended strand (participates in β ladder)trans-14588.4-176.9-16982.7000112M145 L150 W183 L187 M198 V199 A200 A201M145-L169 HydrophobicContact CB-CD1 3.61Å; L150-L169 HydrophobicContact CB-CD1 4.26Å; L150-L169 HydrophobicContact CB-CD2 3.91Å; L150-L169 HydrophobicContact CD1-CD2 4.19Å; L150-L169 HydrophobicContact CD2-CD2 3.79Å; L150-L169 HydrophobicContact CG-CD2 4.16Å; L169-W183 HydrophobicContact CD2-CH2 3.59Å; L169-W183 HydrophobicContact CD2-CZ3 3.66Å; L169-L187 HydrophobicContact CD2-CD2 3.7Å; L169-M198 HydrophobicContact CB-CE 4.38Å; L169-V199 PolarHBondContact N-O 3.1Å; L169-A200 HydrophobicContact CB-CB 4.14Å; L169-A200 HydrophobicContact CD2-CB 4.36Å; L169-A200 WeakPolarHBondContact O-CA 3.5Å; L169-A201 PolarHBondContact O-N 3.47Å
170P98.8Very high96.8Very high0 Ų041.3 Ų41.30%023%0.234CC..EExtended strand (participates in β ladder)trans-59.9131.3158.3-24.637.2000110.6V37 L38 I80 T82 L96 M145 C147V37-P170 HydrophobicContact CG1-CG 3.82Å; L38-P170 VanDerWaalsContact O-CB 3.25Å; L38-P170 WeakPolarHBondContact O-CB 3.45Å; I80-P170 HydrophobicContact CG2-CG 4.05Å; T82-P170 HydrophobicContact CG2-CB 3.82Å; T82-P170 HydrophobicContact CG2-CG 4.13Å; L96-P170 HydrophobicContact CD1-CG 3.99Å; M145-P170 VanDerWaalsContact O-CD 3.25Å; M145-P170 WeakPolarHBondContact O-CD 3.25Å; C147-P170 PolarHBondContact N-O 2.91Å
171A98.6Very high96.8Very high0 Ų045.6 Ų45.60%025%0.25CC..EExtended strand (participates in β ladder)trans-145.6145.8-177.900000114.4E40 C147 W183 A201 G202 E203E40-A171 VanDerWaalsContact CB-C 3.41Å; C147-A171 HydrophobicContact CB-CB 4.03Å; A171-W183 HydrophobicContact CB-CH2 3.33Å; A171-W183 HydrophobicContact CB-CZ2 4.38Å; A171-W183 HydrophobicContact CB-CZ3 3.62Å; A171-A201 PolarHBondContact N-O 2.78Å; A171-G202 CarbonylContact O-C 3.58Å; A171-G202 WeakPolarHBondContact O-CA 3.5Å; A171-E203 PolarHBondContact O-N 2.91Å
172A96.8Very high96.8Very high21 Ų2141.3 Ų41.317%0.17423%0.225CC..  trans-116.665.116500000108.3E40 V174 E203 N208E40-A172 HydrophobicContact CB-CB 3.86Å; E40-A172 HydrophobicContact CG-CB 4.34Å; E40-A172 WeakPolarHBondContact OE2-CB 3.46Å; E40-A172 PolarHBondContact OE2-N 2.86Å; A172-V174 PolarHBondContact O-N 2.77Å; A172-V174 VanDerWaalsContact O-N 3.16Å; A172-E203 HydrophobicContact CB-CB 4.31Å; A172-N208 WeakPolarHBondContact CA-ND2 3.37Å; A172-N208 VanDerWaalsContact CB-ND2 3.32Å; A172-N208 WeakPolarHBondContact CB-ND2 3.35Å; A172-N208 PolarHBondContact O-OD1 3.12Å
173W96.5Very high96.8Very high11 Ų1136.7 Ų36.74%0.04220%0.204CC..  trans-74.5107.4-171.9-162.5-98000111.6L150 R151 K179 H182 W183 L186 N208 I209L150-W173 HydrophobicContact CB-CZ3 4.43Å; L150-W173 HydrophobicContact CD2-CH2 4.24Å; L150-W173 HydrophobicContact CD2-CZ3 4.28Å; R151-W173 HydrophobicContact CG-CH2 3.94Å; W173-K179 PolarHBondContact NE1-O 2.78Å; W173-H182 HydrophobicContact CZ2-CB 4.36Å; W173-W183 HydrophobicContact CB-CE3 3.98Å; W173-W183 HydrophobicContact CB-CZ3 4.18Å; W173-W183 AromaticContact CD2-CE3 3.62Å; W173-W183 HydrophobicContact CD2-CE3 3.62Å; W173-W183 HydrophobicContact CD2-CZ3 4.11Å; W173-W183 AromaticContact CE3-CE3 3.86Å; W173-W183 HydrophobicContact CE3-CE3 3.86Å; W173-W183 AromaticContact CE3-CZ3 3.92Å; W173-W183 HydrophobicContact CE3-CZ3 3.92Å; W173-W183 HydrophobicContact CG-CD2 4.38Å; W173-W183 AromaticContact CG-CE3 3.71Å; W173-W183 HydrophobicContact CG-CE3 3.71Å; W173-W183 HydrophobicContact CG-CZ3 4.27Å; W173-W183 HydrophobicContact CZ3-CE3 4.45Å; W173-L186 HydrophobicContact CH2-CD1 3.97Å; W173-L186 HydrophobicContact CZ2-CD1 4.1Å; W173-N208 VanDerWaalsContact O-CA 3.27Å; W173-N208 WeakPolarHBondContact O-CA 3.4Å; W173-N208 WeakPolarHBondContact O-CB 3.45Å; W173-I209 HydrophobicContact CB-CD1 4.28Å; W173-I209 HydrophobicContact CB-CG1 4.08Å; W173-I209 HydrophobicContact CG-CD1 4.26Å; W173-I209 HydrophobicContact CG-CG1 4.48Å; W173-I209 PolarHBondContact O-N 2.94Å
174V94Very high96.9Very high45 Ų4536.5 Ų36.527%0.27320%0.197SC..BIsolated β-bridgetrans-62.2137.8-172-178.10000112I119 A172 K179 N208I119-V174 HydrophobicContact CD1-CG1 4.47Å; A172-V174 PolarHBondContact O-N 2.77Å; A172-V174 VanDerWaalsContact O-N 3.16Å; V174-K179 WeakPolarHBondContact O-CB 3.17Å; V174-K179 WeakPolarHBondContact O-CG 3.27Å; V174-N208 VanDerWaalsContact CA-OD1 3.31Å; V174-N208 WeakPolarHBondContact CA-OD1 3.32Å; V174-N208 PolarHBondContact N-OD1 3.19Å
175R93.3Very high96.9Very high90 Ų9039.4 Ų39.434%0.3421%0.214SC..  trans-62.5151.6172.9-70.3-172.7-175.5-82.70.5111.8E180 G205 N206 K207 N208 I209R175-E180 IonicContact NH1-OE1 3.13Å; R175-G205 PolarHBondContact NE-O 2.73Å; R175-G205 PolarHBondContact NH2-O 3.16Å; R175-N206 VanDerWaalsContact CD-O 3.31Å; R175-N206 WeakPolarHBondContact CD-O 3.31Å; R175-K207 PolarHBondContact N-O 2.92Å; R175-N208 VanDerWaalsContact CZ-O 3.3Å; R175-N208 PolarHBondContact NE-O 3.29Å; R175-N208 VanDerWaalsContact NE-O 3.09Å; R175-N208 PolarHBondContact NH2-O 3.04Å; R175-I209 HydrophobicContact CB-CG2 4.41Å; R175-I209 HydrophobicContact CG-CG2 3.8Å
176G92Very high96.9Very high28 Ų2839.4 Ų39.429%0.28922%0.215SC..  trans160.7173.8176.800000110.8L178 K179G176-L178 PolarHBondContact O-N 2.95Å; G176-L178 VanDerWaalsContact O-N 3.11Å; G176-K179 WeakPolarHBondContact O-CB 3.34Å; G176-K179 WeakPolarHBondContact O-CG 3.41Å; G176-K179 PolarHBondContact O-N 2.93Å
177P93.7Very high96.9Very high122 Ų12239.4 Ų39.479%0.79222%0.215SC*.THydrogen-bonded Turntrans-50.4122.3-179-27.535.2000111.8K179P177-K179 PolarHBondContact O-N 2.9Å; P177-K179 VanDerWaalsContact O-N 3.11Å
178L95.7Very high96.9Very high117 Ų11740.4 Ų40.461%0.61322%0.224SC*.THydrogen-bonded Turntrans61.513177-50.1175.9000115.4G176 E180 H181 H182G176-L178 PolarHBondContact O-N 2.95Å; G176-L178 VanDerWaalsContact O-N 3.11Å; L178-E180 VanDerWaalsContact C-N 3.32Å; L178-E180 PolarHBondContact O-N 2.95Å; L178-H181 HydrophobicContact CB-CB 4.43Å; L178-H181 WeakPolarHBondContact O-CB 3.48Å; L178-H181 PolarHBondContact O-N 3.33Å; L178-H181 VanDerWaalsContact O-N 3.09Å; L178-H182 PolarHBondContact O-N 3.04Å; L178-H182 PolarHBondContact O-ND1 2.85Å
179K95.3Very high96.9Very high32 Ų3241.7 Ų41.714%0.13923%0.234CC..Hα-helixtrans-65-34.2-176.6-73.3-74.7-172.91730112.8Y114 W173 V174 G176 P177 H182 W183 I209Y114-K179 PolarHBondContact OH-NZ 3.16Å; W173-K179 PolarHBondContact NE1-O 2.78Å; V174-K179 WeakPolarHBondContact O-CB 3.17Å; V174-K179 WeakPolarHBondContact O-CG 3.27Å; G176-K179 WeakPolarHBondContact O-CB 3.34Å; G176-K179 WeakPolarHBondContact O-CG 3.41Å; G176-K179 PolarHBondContact O-N 2.93Å; P177-K179 PolarHBondContact O-N 2.9Å; P177-K179 VanDerWaalsContact O-N 3.11Å; K179-H182 PolarHBondContact O-N 2.83Å; K179-W183 WeakPolarHBondContact O-CB 3.14Å; K179-W183 PolarHBondContact O-N 2.8Å; K179-I209 HydrophobicContact CB-CG2 4.44Å
180E96.8Very high96.9Very high57 Ų5742.5 Ų42.527%0.26624%0.237SC..Hα-helixtrans-65.2-38.2172.3-62.281.8176.300111.8R175 L178 W183 S184 I209R175-E180 IonicContact NH1-OE1 3.13Å; L178-E180 VanDerWaalsContact C-N 3.32Å; L178-E180 PolarHBondContact O-N 2.95Å; E180-W183 PolarHBondContact O-N 2.96Å; E180-S184 PolarHBondContact O-N 3.08Å; E180-S184 PolarHBondContact O-OG 3.19Å; E180-I209 HydrophobicContact CG-CB 4.05Å; E180-I209 HydrophobicContact CG-CD1 4.34Å; E180-I209 HydrophobicContact CG-CG2 3.85Å; E180-I209 WeakPolarHBondContact OE1-CG2 3.31Å
181H97.5Very high96.9Very high113 Ų11342.5 Ų42.552%0.52324%0.237SC..Hα-helixtrans-69.4-43.5175.6-176.567.5000111.4L178 W183 S184 T185L178-H181 HydrophobicContact CB-CB 4.43Å; L178-H181 WeakPolarHBondContact O-CB 3.48Å; L178-H181 PolarHBondContact O-N 3.33Å; L178-H181 VanDerWaalsContact O-N 3.09Å; H181-W183 VanDerWaalsContact C-N 3.31Å; H181-W183 PolarHBondContact O-N 3.17Å; H181-S184 PolarHBondContact O-OG 3.46Å; H181-S184 VanDerWaalsContact O-OG 3.11Å; H181-T185 VanDerWaalsContact O-CB 3.25Å; H181-T185 WeakPolarHBondContact O-CB 3.47Å; H181-T185 PolarHBondContact O-N 2.8Å; H181-T185 PolarHBondContact O-OG1 2.92Å
182H97.5Very high96.8Very high66 Ų6647 Ų4731%0.30626%0.261SS..Hα-helixtrans-59-43.2172.7-62.1149.6000111.7W173 L178 K179 L186W173-H182 HydrophobicContact CZ2-CB 4.36Å; L178-H182 PolarHBondContact O-N 3.04Å; L178-H182 PolarHBondContact O-ND1 2.85Å; K179-H182 PolarHBondContact O-N 2.83Å; H182-L186 VanDerWaalsContact O-CB 3.26Å; H182-L186 WeakPolarHBondContact O-CB 3.08Å; H182-L186 WeakPolarHBondContact O-CD1 3.34Å; H182-L186 WeakPolarHBondContact O-CG 3.33Å; H182-L186 PolarHBondContact O-N 2.89Å
183W98.2Very high96.8Very high0 Ų050.4 Ų50.40%028%0.276CS..Hα-helixtrans-58.8-56.5179.3177.1-111.3000111.7L150 L169 A171 W173 K179 E180 H181 T185 L186 L187 A200 I209 Q211L150-W183 HydrophobicContact CD2-CE3 3.75Å; L150-W183 HydrophobicContact CD2-CZ3 3.79Å; L169-W183 HydrophobicContact CD2-CH2 3.59Å; L169-W183 HydrophobicContact CD2-CZ3 3.66Å; A171-W183 HydrophobicContact CB-CH2 3.33Å; A171-W183 HydrophobicContact CB-CZ2 4.38Å; A171-W183 HydrophobicContact CB-CZ3 3.62Å; W173-W183 HydrophobicContact CB-CE3 3.98Å; W173-W183 HydrophobicContact CB-CZ3 4.18Å; W173-W183 AromaticContact CD2-CE3 3.62Å; W173-W183 HydrophobicContact CD2-CE3 3.62Å; W173-W183 HydrophobicContact CD2-CZ3 4.11Å; W173-W183 AromaticContact CE3-CE3 3.86Å; W173-W183 HydrophobicContact CE3-CE3 3.86Å; W173-W183 AromaticContact CE3-CZ3 3.92Å; W173-W183 HydrophobicContact CE3-CZ3 3.92Å; W173-W183 HydrophobicContact CG-CD2 4.38Å; W173-W183 AromaticContact CG-CE3 3.71Å; W173-W183 HydrophobicContact CG-CE3 3.71Å; W173-W183 HydrophobicContact CG-CZ3 4.27Å; W173-W183 HydrophobicContact CZ3-CE3 4.45Å; K179-W183 WeakPolarHBondContact O-CB 3.14Å; K179-W183 PolarHBondContact O-N 2.8Å; E180-W183 PolarHBondContact O-N 2.96Å; H181-W183 VanDerWaalsContact C-N 3.31Å; H181-W183 PolarHBondContact O-N 3.17Å; W183-T185 PolarHBondContact O-N 2.84Å; W183-L186 PolarHBondContact O-N 3.14Å; W183-L187 HydrophobicContact CD2-CD1 3.94Å; W183-L187 HydrophobicContact CD2-CG 4.37Å; W183-L187 VanDerWaalsContact CE2-CD1 3.47Å; W183-L187 HydrophobicContact CG-CD1 4.28Å; W183-L187 HydrophobicContact CH2-CD1 4.44Å; W183-L187 HydrophobicContact CH2-CD2 4.49Å; W183-L187 HydrophobicContact CZ2-CD1 3.78Å; W183-L187 WeakPolarHBondContact O-CB 3.29Å; W183-L187 VanDerWaalsContact O-CG 3.27Å; W183-L187 WeakPolarHBondContact O-CG 3.4Å; W183-L187 PolarHBondContact O-N 3.47Å; W183-L187 VanDerWaalsContact O-N 3.08Å; W183-A200 HydrophobicContact CH2-CB 4.02Å; W183-A200 HydrophobicContact CZ2-CB 3.73Å; W183-I209 HydrophobicContact CB-CD1 3.59Å; W183-I209 HydrophobicContact CD2-CD1 4.19Å; W183-I209 HydrophobicContact CG-CD1 3.57Å; W183-Q211 PolarHBondContact NE1-O 2.93Å
184S98.2Very high96.8Very high26 Ų2650.6 Ų50.618%0.18228%0.279CS..Hα-helixtrans-61.7-42.4179.750.30000113E180 H181 A188E180-S184 PolarHBondContact O-N 3.08Å; E180-S184 PolarHBondContact O-OG 3.19Å; H181-S184 PolarHBondContact O-OG 3.46Å; H181-S184 VanDerWaalsContact O-OG 3.11Å; S184-A188 WeakPolarHBondContact O-CB 3.28Å; S184-A188 PolarHBondContact O-N 2.87Å; S184-A188 VanDerWaalsContact O-N 3.16Å
185T98.6Very high97Very high69 Ų6951.5 Ų51.542%0.42329%0.285SS..Hα-helixtrans-65.3-48.3179.9-57.70000111.9H181 W183 A188 A189H181-T185 VanDerWaalsContact O-CB 3.25Å; H181-T185 WeakPolarHBondContact O-CB 3.47Å; H181-T185 PolarHBondContact O-N 2.8Å; H181-T185 PolarHBondContact O-OG1 2.92Å; W183-T185 PolarHBondContact O-N 2.84Å; T185-A188 PolarHBondContact O-N 3.05Å; T185-A189 VanDerWaalsContact O-CB 3.31Å; T185-A189 WeakPolarHBondContact O-CB 3.32Å; T185-A189 PolarHBondContact O-N 2.75Å
186L98.7Very high97.2Very high30 Ų3047.3 Ų47.316%0.15727%0.269CS..Hα-helixtrans-67.5-40-177.5-69.6170.1000111.7L150 R151 W173 H182 W183 A189 R190L150-L186 HydrophobicContact CD1-CB 4.01Å; L150-L186 HydrophobicContact CD2-CB 3.81Å; L150-L186 HydrophobicContact CD2-CD1 4.4Å; L150-L186 HydrophobicContact CG-CB 3.7Å; L150-L186 HydrophobicContact CG-CD1 4.3Å; R151-L186 HydrophobicContact CG-CD1 4.03Å; W173-L186 HydrophobicContact CH2-CD1 3.97Å; W173-L186 HydrophobicContact CZ2-CD1 4.1Å; H182-L186 VanDerWaalsContact O-CB 3.26Å; H182-L186 WeakPolarHBondContact O-CB 3.08Å; H182-L186 WeakPolarHBondContact O-CD1 3.34Å; H182-L186 WeakPolarHBondContact O-CG 3.33Å; H182-L186 PolarHBondContact O-N 2.89Å; W183-L186 PolarHBondContact O-N 3.14Å; L186-A189 PolarHBondContact O-N 3.35Å; L186-R190 WeakPolarHBondContact O-CG 3.37Å; L186-R190 PolarHBondContact O-N 3.27Å
187L98.8Very high97.5Very high0 Ų046.3 Ų46.30%026%0.256CS..Hα-helixtrans-60.8-47.2176-71176.4000111.5L150 L169 W183 A189 R190 A191 M198 A200 R213 I215L150-L187 HydrophobicContact CD1-CD2 3.91Å; L150-L187 HydrophobicContact CD2-CD2 3.89Å; L150-L187 HydrophobicContact CD2-CG 4.05Å; L169-L187 HydrophobicContact CD2-CD2 3.7Å; W183-L187 HydrophobicContact CD2-CD1 3.94Å; W183-L187 HydrophobicContact CD2-CG 4.37Å; W183-L187 VanDerWaalsContact CE2-CD1 3.47Å; W183-L187 HydrophobicContact CG-CD1 4.28Å; W183-L187 HydrophobicContact CH2-CD1 4.44Å; W183-L187 HydrophobicContact CH2-CD2 4.49Å; W183-L187 HydrophobicContact CZ2-CD1 3.78Å; W183-L187 WeakPolarHBondContact O-CB 3.29Å; W183-L187 VanDerWaalsContact O-CG 3.27Å; W183-L187 WeakPolarHBondContact O-CG 3.4Å; W183-L187 PolarHBondContact O-N 3.47Å; W183-L187 VanDerWaalsContact O-N 3.08Å; L187-A189 VanDerWaalsContact C-N 3.32Å; L187-A189 PolarHBondContact O-N 3.47Å; L187-R190 PolarHBondContact O-N 3.22Å; L187-A191 PolarHBondContact O-N 2.66Å; L187-M198 HydrophobicContact CD2-CE 3.71Å; L187-A200 HydrophobicContact CD1-CB 3.8Å; L187-A200 HydrophobicContact CD2-CB 3.59Å; L187-A200 HydrophobicContact CG-CB 4.37Å; L187-R213 HydrophobicContact CD1-CB 4.16Å; L187-I215 HydrophobicContact CB-CD1 3.43Å; L187-I215 VanDerWaalsContact CB-CD1 3.43Å; L187-I215 HydrophobicContact CD1-CD1 4.45Å
188A98.7Very high97.8Very high22 Ų2240.5 Ų40.518%0.18222%0.219CC..Hα-helixtrans-62.7-41.2176.900000111.5S184 T185 A191 L192 I215S184-A188 WeakPolarHBondContact O-CB 3.28Å; S184-A188 PolarHBondContact O-N 2.87Å; S184-A188 VanDerWaalsContact O-N 3.16Å; T185-A188 PolarHBondContact O-N 3.05Å; A188-A191 PolarHBondContact O-N 3.44Å; A188-L192 WeakPolarHBondContact O-CB 3.27Å; A188-L192 VanDerWaalsContact O-CG 3.31Å; A188-L192 WeakPolarHBondContact O-CG 3.3Å; A188-L192 PolarHBondContact O-N 2.93Å; A188-I215 HydrophobicContact CB-CD1 4.37Å
189A98.6Very high97.9Very high27 Ų2735 Ų3522%0.22319%0.19CC..Hα-helixtrans-61.8-43.3175.900000112.2T185 L186 L187 L192 D193T185-A189 VanDerWaalsContact O-CB 3.31Å; T185-A189 WeakPolarHBondContact O-CB 3.32Å; T185-A189 PolarHBondContact O-N 2.75Å; L186-A189 PolarHBondContact O-N 3.35Å; L187-A189 VanDerWaalsContact C-N 3.32Å; L187-A189 PolarHBondContact O-N 3.47Å; A189-L192 PolarHBondContact O-N 2.9Å; A189-D193 VanDerWaalsContact O-CB 3.31Å; A189-D193 WeakPolarHBondContact O-CB 3.37Å; A189-D193 PolarHBondContact O-N 2.87Å
190R98.5Very high98.1Very high16 Ų1633.4 Ų33.46%0.0618%0.183CC..Hα-helixtrans-62.6-44.9175.4-64.6-55.8132.4-102.46.5111.6L150 A156 L186 L187 L192 D193 T194 M198L150-R190 HydrophobicContact CD1-CB 4.46Å; L150-R190 HydrophobicContact CD1-CG 3.48Å; L150-R190 VanDerWaalsContact CD1-CG 3.48Å; L150-R190 PolarHBondContact O-NE 3.13Å; A156-R190 HydrophobicContact CB-CG 4.3Å; L186-R190 WeakPolarHBondContact O-CG 3.37Å; L186-R190 PolarHBondContact O-N 3.27Å; L187-R190 PolarHBondContact O-N 3.22Å; R190-L192 VanDerWaalsContact C-N 3.3Å; R190-L192 PolarHBondContact O-N 2.84Å; R190-D193 IonicContact CZ-OD2 2.67Å; R190-D193 IonicContact NH1-OD2 3.87Å; R190-D193 PolarHBondContact NH1-OD2 3.16Å; R190-D193 PolarHBondContact O-N 3.26Å; R190-T194 WeakPolarHBondContact O-CB 3.37Å; R190-T194 WeakPolarHBondContact O-CG2 3.15Å; R190-T194 PolarHBondContact O-N 2.98Å; R190-T194 PolarHBondContact O-OG1 2.53Å; R190-M198 HydrophobicContact CB-CE 4.27Å; R190-M198 HydrophobicContact CB-CG 4.39Å; R190-M198 HydrophobicContact CB-SD 3.69Å
191A98.5Very high98.2Very high0 Ų030.7 Ų30.70%017%0.17CC..Hα-helixtrans-57.6-43.7177.100000112.2L187 A188 T195 C196 M198 I215 D216L187-A191 PolarHBondContact O-N 2.66Å; A188-A191 PolarHBondContact O-N 3.44Å; A191-T195 VanDerWaalsContact O-CA 3.24Å; A191-T195 WeakPolarHBondContact O-CA 3.25Å; A191-T195 PolarHBondContact O-N 3.02Å; A191-C196 WeakPolarHBondContact CA-O 3.44Å; A191-C196 WeakPolarHBondContact CB-O 3.25Å; A191-C196 PolarHBondContact O-N 2.86Å; A191-M198 HydrophobicContact CB-CG 3.78Å; A191-I215 HydrophobicContact CB-CB 4.32Å; A191-I215 HydrophobicContact CB-CG2 3.82Å; A191-D216 WeakPolarHBondContact CB-O 3.44Å
192L97.2Very high98.2Very high94 Ų9425.4 Ų25.449%0.49215%0.146SC..Hα-helixtrans-66.8-52.3177.7-73.9168.1000112.7A188 A189 R190 T194 T195 F218A188-L192 WeakPolarHBondContact O-CB 3.27Å; A188-L192 VanDerWaalsContact O-CG 3.31Å; A188-L192 WeakPolarHBondContact O-CG 3.3Å; A188-L192 PolarHBondContact O-N 2.93Å; A189-L192 PolarHBondContact O-N 2.9Å; R190-L192 VanDerWaalsContact C-N 3.3Å; R190-L192 PolarHBondContact O-N 2.84Å; L192-T194 PolarHBondContact O-N 3.47Å; L192-T195 PolarHBondContact O-N 2.94Å; L192-F218 VanDerWaalsContact CD2-C 3.43Å; L192-F218 WeakPolarHBondContact CD2-O 3.17Å
193D96.2Very high98.3Very high93 Ų9322.3 Ų22.350%0.49713%0.132SC..Hα-helixtrans-65.5-30.5-174.4-65.9-19.3000111.6A189 R190A189-D193 VanDerWaalsContact O-CB 3.31Å; A189-D193 WeakPolarHBondContact O-CB 3.37Å; A189-D193 PolarHBondContact O-N 2.87Å; R190-D193 IonicContact CZ-OD2 2.67Å; R190-D193 IonicContact NH1-OD2 3.87Å; R190-D193 PolarHBondContact NH1-OD2 3.16Å; R190-D193 PolarHBondContact O-N 3.26Å
194T97.5Very high98.2Very high15 Ų1522.4 Ų22.49%0.09213%0.132CC..Hα-helixtrans-99.7-12.1-179.770.60000114.2A156 L157 A160 L167 R190 L192 C196A156-T194 HydrophobicContact CB-CG2 3.82Å; L157-T194 HydrophobicContact CD2-CG2 4.22Å; A160-T194 HydrophobicContact CB-CG2 3.96Å; L167-T194 HydrophobicContact CD1-CG2 3.97Å; R190-T194 WeakPolarHBondContact O-CB 3.37Å; R190-T194 WeakPolarHBondContact O-CG2 3.15Å; R190-T194 PolarHBondContact O-N 2.98Å; R190-T194 PolarHBondContact O-OG1 2.53Å; L192-T194 PolarHBondContact O-N 3.47Å; T194-C196 VanDerWaalsContact CB-SG 3.55Å; T194-C196 PolarHBondContact O-N 2.81Å; T194-C196 PolarHBondContact O-SG 2.81Å; T194-C196 VanDerWaalsContact O-SG 3.37Å; T194-C196 VanDerWaalsContact OG1-CB 3.24Å; T194-C196 WeakPolarHBondContact OG1-CB 3.44Å; T194-C196 PolarHBondContact OG1-N 2.72Å; T194-C196 PolarHBondContact OG1-SG 2.77Å
195T97Very high98Very high65 Ų6522.1 Ų22.140%0.39913%0.134SC..THydrogen-bonded Turntrans52.436.3-168.2-430000111.7A191 L192 P217 V241A191-T195 VanDerWaalsContact O-CA 3.24Å; A191-T195 WeakPolarHBondContact O-CA 3.25Å; A191-T195 PolarHBondContact O-N 3.02Å; L192-T195 PolarHBondContact O-N 2.94Å; T195-P217 HydrophobicContact CG2-CB 4.06Å; T195-V241 WeakPolarHBondContact O-CG1 3.18Å
196C98.4Very high97.7Very high1 Ų125.2 Ų25.21%0.00715%0.148CC..  trans-111159177-55.10000110.1A164 E165 L167 A191 T194 P217A164-C196 PolarHBondContact O-SG 2.94Å; E165-C196 WeakPolarHBondContact O-CA 3.21Å; E165-C196 WeakPolarHBondContact O-CB 3.07Å; L167-C196 HydrophobicContact CD1-CB 4.27Å; L167-C196 HydrophobicContact CG-CB 4.01Å; A191-C196 WeakPolarHBondContact CA-O 3.44Å; A191-C196 WeakPolarHBondContact CB-O 3.25Å; A191-C196 PolarHBondContact O-N 2.86Å; T194-C196 VanDerWaalsContact CB-SG 3.55Å; T194-C196 PolarHBondContact O-N 2.81Å; T194-C196 PolarHBondContact O-SG 2.81Å; T194-C196 VanDerWaalsContact O-SG 3.37Å; T194-C196 VanDerWaalsContact OG1-CB 3.24Å; T194-C196 WeakPolarHBondContact OG1-CB 3.44Å; T194-C196 PolarHBondContact OG1-N 2.72Å; T194-C196 PolarHBondContact OG1-SG 2.77Å; C196-P217 WeakPolarHBondContact O-CA 3.38Å
197Y98.8Very high97.4Very high8 Ų827.3 Ų27.33%0.03116%0.155CC..EExtended strand (participates in β ladder)trans-66.6149.8158.9-74.4-90.4000110.6M140 E165 I166 L167 I215 D216 P217 I222 V236 T237 R240 V241M140-Y197 HydrophobicContact CE-CD2 4.48Å; E165-Y197 PolarHBondContact O-N 2.98Å; I166-Y197 CarbonylContact C-O 3.57Å; I166-Y197 WeakPolarHBondContact CA-O 3.06Å; I166-Y197 HydrophobicContact CG1-CD2 4.47Å; L167-Y197 PolarHBondContact N-O 2.66Å; Y197-I215 CarbonylContact C-O 3.5Å; Y197-I215 VanDerWaalsContact CA-O 3.26Å; Y197-I215 WeakPolarHBondContact CA-O 3.5Å; Y197-I215 WeakPolarHBondContact CD1-O 3.4Å; Y197-D216 HydrophobicContact CD1-CB 4.2Å; Y197-D216 HydrophobicContact CE1-CB 3.84Å; Y197-P217 HydrophobicContact CD2-CG 3.87Å; Y197-P217 HydrophobicContact CE2-CG 3.93Å; Y197-P217 HydrophobicContact CG-CG 4.3Å; Y197-I222 HydrophobicContact CD1-CD1 4.27Å; Y197-I222 HydrophobicContact CE1-CD1 3.87Å; Y197-V236 HydrophobicContact CD1-CB 4.16Å; Y197-V236 HydrophobicContact CD1-CG1 3.61Å; Y197-V236 HydrophobicContact CD2-CB 4.1Å; Y197-V236 HydrophobicContact CD2-CG1 4.37Å; Y197-V236 HydrophobicContact CE1-CB 3.94Å; Y197-V236 HydrophobicContact CE1-CG1 3.65Å; Y197-V236 HydrophobicContact CE2-CB 3.87Å; Y197-V236 HydrophobicContact CE2-CG1 4.39Å; Y197-V236 HydrophobicContact CG-CB 4.22Å; Y197-V236 HydrophobicContact CG-CG1 3.97Å; Y197-T237 PolarHBondContact OH-N 2.85Å; Y197-R240 HydrophobicContact CE2-CB 4.02Å; Y197-R240 HydrophobicContact CE2-CG 4.31Å; Y197-R240 WeakPolarHBondContact OH-CB 3.33Å; Y197-R240 VanDerWaalsContact OH-CG 3.25Å; Y197-R240 WeakPolarHBondContact OH-CG 3.48Å; Y197-V241 HydrophobicContact CD2-CG2 3.72Å; Y197-V241 HydrophobicContact CE2-CG2 3.78Å
198M98.8Very high97.3Very high0 Ų027.5 Ų27.50%016%0.156CC..EExtended strand (participates in β ladder)trans-112.3129.9165.2-66.8-69.4-5500109.7L150 L167 L169 L187 R190 A191 I214 I215L150-M198 HydrophobicContact CD1-CE 4.46Å; L167-M198 HydrophobicContact CB-CE 4.28Å; L167-M198 HydrophobicContact CB-SD 3.53Å; L167-M198 VanDerWaalsContact CB-SD 3.53Å; L167-M198 HydrophobicContact CD1-SD 3.81Å; L167-M198 HydrophobicContact CG-SD 4.25Å; L167-M198 CarbonylContact O-C 3.54Å; L167-M198 WeakPolarHBondContact O-CA 3.38Å; L169-M198 HydrophobicContact CB-CE 4.38Å; L187-M198 HydrophobicContact CD2-CE 3.71Å; R190-M198 HydrophobicContact CB-CE 4.27Å; R190-M198 HydrophobicContact CB-CG 4.39Å; R190-M198 HydrophobicContact CB-SD 3.69Å; A191-M198 HydrophobicContact CB-CG 3.78Å; M198-I214 CarbonylContact O-C 3.57Å; M198-I214 VanDerWaalsContact O-CA 3.27Å; M198-I214 WeakPolarHBondContact O-CA 3.22Å; M198-I215 HydrophobicContact CB-CB 4.14Å; M198-I215 PolarHBondContact N-O 2.67Å; M198-I215 PolarHBondContact O-N 2.91Å
199V98.9Very high97.2Very high0 Ų026.5 Ų26.50%015%0.148CC..EExtended strand (participates in β ladder)trans-11998.7170-173.60000108.4V3 A5 V37 I166 L167 V168 L169 I214V3-V199 HydrophobicContact CB-CG2 4.29Å; V3-V199 HydrophobicContact CG2-CG1 4.48Å; V3-V199 HydrophobicContact CG2-CG2 3.73Å; A5-V199 HydrophobicContact CB-CG1 4.25Å; V37-V199 HydrophobicContact CB-CG1 4.13Å; V37-V199 HydrophobicContact CG2-CB 4.09Å; V37-V199 HydrophobicContact CG2-CG1 3.54Å; I166-V199 HydrophobicContact CG2-CG2 3.83Å; L167-V199 PolarHBondContact O-N 3.18Å; V168-V199 WeakPolarHBondContact CA-O 2.94Å; V168-V199 HydrophobicContact CG1-CB 4.33Å; L169-V199 PolarHBondContact N-O 3.1Å; V199-I214 HydrophobicContact CG1-CG1 4.35Å; V199-I214 HydrophobicContact CG2-CG2 4.36Å
200A98.9Very high97.2Very high0 Ų025.3 Ų25.30%014%0.138CC..EExtended strand (participates in β ladder)trans-111.8124.5-173.300000111.4L169 W183 L187 S212 R213L169-A200 HydrophobicContact CB-CB 4.14Å; L169-A200 HydrophobicContact CD2-CB 4.36Å; L169-A200 WeakPolarHBondContact O-CA 3.5Å; W183-A200 HydrophobicContact CH2-CB 4.02Å; W183-A200 HydrophobicContact CZ2-CB 3.73Å; L187-A200 HydrophobicContact CD1-CB 3.8Å; L187-A200 HydrophobicContact CD2-CB 3.59Å; L187-A200 HydrophobicContact CG-CB 4.37Å; A200-S212 CarbonylContact O-C 3.59Å; A200-S212 VanDerWaalsContact O-CA 3.25Å; A200-S212 WeakPolarHBondContact O-CA 3.2Å; A200-S212 WeakPolarHBondContact O-CB 3.13Å; A200-R213 PolarHBondContact N-O 3.11Å; A200-R213 PolarHBondContact O-N 3.33Å
201A98.9Very high97.2Very high0 Ų026.5 Ų26.50%014%0.144CC..EExtended strand (participates in β ladder)trans-111.1110.2-179.900000110.1A5 V37 L169 A171 S212A5-A201 HydrophobicContact CB-CB 4.15Å; V37-A201 HydrophobicContact CB-CB 4.07Å; V37-A201 HydrophobicContact CG1-CB 3.74Å; V37-A201 VanDerWaalsContact O-CB 3.29Å; V37-A201 WeakPolarHBondContact O-CB 3.41Å; L169-A201 PolarHBondContact O-N 3.47Å; A171-A201 PolarHBondContact N-O 2.78Å; A201-S212 WeakPolarHBondContact CA-OG 3.36Å
202G98.4Very high97.2Very high1 Ų126.5 Ų26.51%0.0114%0.144CC..EExtended strand (participates in β ladder)trans-96.7135.4-179.600000112.6Q7 A171 S212Q7-G202 VanDerWaalsContact CG-O 3.28Å; Q7-G202 WeakPolarHBondContact CG-O 3.49Å; A171-G202 CarbonylContact O-C 3.58Å; A171-G202 WeakPolarHBondContact O-CA 3.5Å; G202-S212 PolarHBondContact N-OG 2.76Å
203E98.3Very high97.3Very high2 Ų224.2 Ų24.21%0.00913%0.129CC..  trans-70.8136.9166.2-163.8-82.4168.400109.2F8 A9 V10 P39 R45 A171 A172 N208 G210F8-E203 WeakPolarHBondContact O-CG 3.37Å; A9-E203 VanDerWaalsContact CA-OE1 3.31Å; A9-E203 WeakPolarHBondContact CA-OE1 3.25Å; V10-E203 HydrophobicContact CB-CG 4.23Å; V10-E203 HydrophobicContact CG2-CG 3.67Å; V10-E203 PolarHBondContact N-OE1 2.86Å; P39-E203 HydrophobicContact CB-CB 3.82Å; P39-E203 HydrophobicContact CB-CG 4.48Å; R45-E203 IonicContact CZ-OE1 3.18Å; R45-E203 IonicContact CZ-OE2 3.68Å; R45-E203 VanDerWaalsContact CZ-OE2 3.31Å; R45-E203 IonicContact NE-OE1 2.69Å; R45-E203 VanDerWaalsContact NH1-CD 3.29Å; R45-E203 IonicContact NH1-OE1 2.73Å; R45-E203 PolarHBondContact NH1-OE1 3.03Å; R45-E203 IonicContact NH1-OE2 3.82Å; R45-E203 PolarHBondContact NH1-OE2 3.39Å; R45-E203 IonicContact NH2-OE1 2.89Å; R45-E203 PolarHBondContact NH2-OE1 3.44Å; R45-E203 IonicContact NH2-OE2 3.41Å; R45-E203 PolarHBondContact NH2-OE2 2.88Å; A171-E203 PolarHBondContact O-N 2.91Å; A172-E203 HydrophobicContact CB-CB 4.31Å; E203-N208 HydrophobicContact CB-CB 4.49Å; E203-N208 WeakPolarHBondContact O-CB 3.32Å; E203-N208 WeakPolarHBondContact OE2-CB 3.35Å; E203-N208 VanDerWaalsContact OE2-CG 3.28Å; E203-N208 PolarHBondContact OE2-ND2 3.42Å; E203-G210 WeakPolarHBondContact O-CA 3.47Å; E203-G210 PolarHBondContact O-N 3.13Å
204C97.4Very high97.4Very high1 Ų119.8 Ų19.81%0.00711%0.106CC..  trans-112.8-179.7-177.773.40000112.9Q7 F8 A9 E227Q7-C204 HydrophobicContact CG-CB 3.73Å; F8-C204 PolarHBondContact O-N 3.33Å; F8-C204 VanDerWaalsContact O-N 3.08Å; A9-C204 WeakPolarHBondContact CA-O 3.32Å; A9-C204 WeakPolarHBondContact CB-O 3.35Å; A9-C204 PolarHBondContact N-SG 2.66Å; C204-E227 WeakPolarHBondContact CB-O 3.12Å
205G93.9Very high97.4Very high21 Ų2119.1 Ų19.122%0.21610%0.101CC..SBendtrans106-151.2-179.500000113.2R175R175-G205 PolarHBondContact NE-O 2.73Å; R175-G205 PolarHBondContact NH2-O 3.16Å
206N92.2Very high97.5Very high134 Ų13416.2 Ų16.272%0.7178%0.083SC*.SBendtrans-69.7-37.8-166-68.5-12.7000113.6R175R175-N206 VanDerWaalsContact CD-O 3.31Å; R175-N206 WeakPolarHBondContact CD-O 3.31Å
207K92.1Very high97.5Very high74 Ų7416.3 Ų16.332%0.3228%0.084SC..SBendtrans-98.1-26.1-171.8178.6174.7-178.3175.90114R175R175-K207 PolarHBondContact N-O 2.92Å
208N95.7Very high97.4Very high4 Ų418.4 Ų18.42%0.0219%0.093CC..BIsolated β-bridgetrans-123.1158-178.7-58.6-33000112.4R45 A172 W173 V174 R175 E203 G210R45-N208 PolarHBondContact NH1-ND2 2.92Å; A172-N208 WeakPolarHBondContact CA-ND2 3.37Å; A172-N208 VanDerWaalsContact CB-ND2 3.32Å; A172-N208 WeakPolarHBondContact CB-ND2 3.35Å; A172-N208 PolarHBondContact O-OD1 3.12Å; W173-N208 VanDerWaalsContact O-CA 3.27Å; W173-N208 WeakPolarHBondContact O-CA 3.4Å; W173-N208 WeakPolarHBondContact O-CB 3.45Å; V174-N208 VanDerWaalsContact CA-OD1 3.31Å; V174-N208 WeakPolarHBondContact CA-OD1 3.32Å; V174-N208 PolarHBondContact N-OD1 3.19Å; R175-N208 VanDerWaalsContact CZ-O 3.3Å; R175-N208 PolarHBondContact NE-O 3.29Å; R175-N208 VanDerWaalsContact NE-O 3.09Å; R175-N208 PolarHBondContact NH2-O 3.04Å; E203-N208 HydrophobicContact CB-CB 4.49Å; E203-N208 WeakPolarHBondContact O-CB 3.32Å; E203-N208 WeakPolarHBondContact OE2-CB 3.35Å; E203-N208 VanDerWaalsContact OE2-CG 3.28Å; E203-N208 PolarHBondContact OE2-ND2 3.42Å; N208-G210 PolarHBondContact O-N 2.78Å
209I97.3Very high97.3Very high1 Ų119.1 Ų19.11%0.00510%0.101CC..  trans-77.3-19.5-166.761.7162.1000114.5W173 R175 K179 E180 W183 Q211W173-I209 HydrophobicContact CB-CD1 4.28Å; W173-I209 HydrophobicContact CB-CG1 4.08Å; W173-I209 HydrophobicContact CG-CD1 4.26Å; W173-I209 HydrophobicContact CG-CG1 4.48Å; W173-I209 PolarHBondContact O-N 2.94Å; R175-I209 HydrophobicContact CB-CG2 4.41Å; R175-I209 HydrophobicContact CG-CG2 3.8Å; K179-I209 HydrophobicContact CB-CG2 4.44Å; E180-I209 HydrophobicContact CG-CB 4.05Å; E180-I209 HydrophobicContact CG-CD1 4.34Å; E180-I209 HydrophobicContact CG-CG2 3.85Å; E180-I209 WeakPolarHBondContact OE1-CG2 3.31Å; W183-I209 HydrophobicContact CB-CD1 3.59Å; W183-I209 HydrophobicContact CD2-CD1 4.19Å; W183-I209 HydrophobicContact CG-CD1 3.57Å; I209-Q211 HydrophobicContact CD1-CB 4.42Å; I209-Q211 PolarHBondContact O-N 2.94Å
210G97.8Very high97.2Very high1 Ų122.9 Ų22.91%0.0112%0.124CC..  trans65.9-118.8-162.300000111.2Q7 E203 N208 S212Q7-G210 VanDerWaalsContact OE1-CA 3.23Å; E203-G210 WeakPolarHBondContact O-CA 3.47Å; E203-G210 PolarHBondContact O-N 3.13Å; N208-G210 PolarHBondContact O-N 2.78Å; G210-S212 VanDerWaalsContact C-N 3.35Å; G210-S212 PolarHBondContact O-N 3.45Å
211Q98.3Very high97.2Very high41 Ų4125.4 Ų25.419%0.19214%0.139CC..  trans50.544-179.6-58.2-156.415.100115.5W183 I209 R213 S226W183-Q211 PolarHBondContact NE1-O 2.93Å; I209-Q211 HydrophobicContact CD1-CB 4.42Å; I209-Q211 PolarHBondContact O-N 2.94Å; Q211-R213 WeakPolarHBondContact O-CG 3.33Å; Q211-R213 PolarHBondContact O-N 3.02Å; Q211-S226 PolarHBondContact N-O 3.42Å
212S98.8Very high97.2Very high0 Ų028.7 Ų28.70%016%0.156CC..  trans-48.3140.5165.9-670000111.1Q7 A200 A201 G202 G210 A224 A225 I232Q7-S212 PolarHBondContact OE1-OG 2.9Å; A200-S212 CarbonylContact O-C 3.59Å; A200-S212 VanDerWaalsContact O-CA 3.25Å; A200-S212 WeakPolarHBondContact O-CA 3.2Å; A200-S212 WeakPolarHBondContact O-CB 3.13Å; A201-S212 WeakPolarHBondContact CA-OG 3.36Å; G202-S212 PolarHBondContact N-OG 2.76Å; G210-S212 VanDerWaalsContact C-N 3.35Å; G210-S212 PolarHBondContact O-N 3.45Å; S212-A224 WeakPolarHBondContact O-CA 3.39Å; S212-A225 PolarHBondContact O-N 3.47Å; S212-I232 WeakPolarHBondContact O-CD1 3.44Å
213R98.8Very high97.2Very high47 Ų4729.4 Ų29.418%0.17716%0.162CC..EExtended strand (participates in β ladder)trans-145.3146.5-176-73.7173.4-171-1211.7111.5L187 A200 Q211 I215 T221 A223 A224L187-R213 HydrophobicContact CD1-CB 4.16Å; A200-R213 PolarHBondContact N-O 3.11Å; A200-R213 PolarHBondContact O-N 3.33Å; Q211-R213 WeakPolarHBondContact O-CG 3.33Å; Q211-R213 PolarHBondContact O-N 3.02Å; R213-I215 HydrophobicContact CB-CG1 4.29Å; R213-T221 HydrophobicContact CB-CG2 4.34Å; R213-T221 HydrophobicContact CG-CG2 4.11Å; R213-A223 WeakPolarHBondContact CA-O 3.3Å; R213-A224 HydrophobicContact CG-CB 4.18Å
214I98.9Very high97.2Very high0 Ų032 Ų320%018%0.184CC..EExtended strand (participates in β ladder)trans-115.2125.4165.5-54172.4000106.8V3 M198 V199 T221 I222 A223 I232 A234V3-I214 HydrophobicContact CG2-CD1 3.91Å; V3-I214 HydrophobicContact CG2-CG2 4.15Å; M198-I214 CarbonylContact O-C 3.57Å; M198-I214 VanDerWaalsContact O-CA 3.27Å; M198-I214 WeakPolarHBondContact O-CA 3.22Å; V199-I214 HydrophobicContact CG1-CG1 4.35Å; V199-I214 HydrophobicContact CG2-CG2 4.36Å; I214-T221 CarbonylContact O-C 3.55Å; I214-T221 WeakPolarHBondContact O-CA 3.21Å; I214-I222 HydrophobicContact CB-CG1 4.13Å; I214-I222 HydrophobicContact CG2-CD1 3.87Å; I214-I222 HydrophobicContact CG2-CG1 3.81Å; I214-I222 WeakPolarHBondContact O-CG1 3.33Å; I214-I222 PolarHBondContact O-N 3.03Å; I214-A223 HydrophobicContact CB-CB 4.15Å; I214-A223 HydrophobicContact CD1-CB 4.08Å; I214-A223 HydrophobicContact CG1-CB 4.29Å; I214-A223 PolarHBondContact N-O 3.08Å; I214-A223 PolarHBondContact O-N 2.85Å; I214-I232 HydrophobicContact CD1-CG1 4.44Å; I214-I232 HydrophobicContact CG1-CD1 4.14Å; I214-A234 HydrophobicContact CB-CB 4.25Å; I214-A234 HydrophobicContact CD1-CB 3.74Å; I214-A234 HydrophobicContact CG2-CB 3.94Å
215I98.8Very high97.3Very high0 Ų032.5 Ų32.50%019%0.188CC..EExtended strand (participates in β ladder)trans-124136.2-175.8-49.2-170.6000109L187 A188 A191 Y197 M198 R213 V220L187-I215 HydrophobicContact CB-CD1 3.43Å; L187-I215 VanDerWaalsContact CB-CD1 3.43Å; L187-I215 HydrophobicContact CD1-CD1 4.45Å; A188-I215 HydrophobicContact CB-CD1 4.37Å; A191-I215 HydrophobicContact CB-CB 4.32Å; A191-I215 HydrophobicContact CB-CG2 3.82Å; Y197-I215 CarbonylContact C-O 3.5Å; Y197-I215 VanDerWaalsContact CA-O 3.26Å; Y197-I215 WeakPolarHBondContact CA-O 3.5Å; Y197-I215 WeakPolarHBondContact CD1-O 3.4Å; M198-I215 HydrophobicContact CB-CB 4.14Å; M198-I215 PolarHBondContact N-O 2.67Å; M198-I215 PolarHBondContact O-N 2.91Å; R213-I215 HydrophobicContact CB-CG1 4.29Å; I215-V220 CarbonylContact C-O 3.57Å; I215-V220 WeakPolarHBondContact CA-O 3.43Å; I215-V220 WeakPolarHBondContact CG2-O 3.28Å
216D98.4Very high97.4Very high5 Ų534.6 Ų34.63%0.02720%0.199CC..  trans-80.1167.8177.285.8-6000112.8A191 Y197 F218 G219 V220 I222 R240A191-D216 WeakPolarHBondContact CB-O 3.44Å; Y197-D216 HydrophobicContact CD1-CB 4.2Å; Y197-D216 HydrophobicContact CE1-CB 3.84Å; D216-F218 PolarHBondContact O-N 3.2Å; D216-F218 WeakPolarHBondContact OD1-CA 3.21Å; D216-F218 WeakPolarHBondContact OD1-CB 3.43Å; D216-F218 PolarHBondContact OD1-N 3.19Å; D216-G219 PolarHBondContact O-N 3.19Å; D216-G219 PolarHBondContact OD1-N 2.96Å; D216-V220 PolarHBondContact N-O 3.01Å; D216-V220 WeakPolarHBondContact OD1-CB 3.37Å; D216-V220 PolarHBondContact OD1-N 3.31Å; D216-I222 HydrophobicContact CB-CD1 4.39Å; D216-I222 HydrophobicContact CB-CG2 4.06Å; D216-R240 IonicContact OD2-CZ 3.38Å; D216-R240 IonicContact OD2-NE 3.7Å; D216-R240 PolarHBondContact OD2-NE 3.49Å; D216-R240 VanDerWaalsContact OD2-NE 3.13Å; D216-R240 IonicContact OD2-NH2 3.92Å; D216-R240 PolarHBondContact OD2-NH2 3.24Å
217P97.8Very high97.5Very high3 Ų333 Ų332%0.01919%0.188CC..THydrogen-bonded Turntrans-57.4-10.6178.2-29.337.8000116.2T195 C196 Y197 R240 V241T195-P217 HydrophobicContact CG2-CB 4.06Å; C196-P217 WeakPolarHBondContact O-CA 3.38Å; Y197-P217 HydrophobicContact CD2-CG 3.87Å; Y197-P217 HydrophobicContact CE2-CG 3.93Å; Y197-P217 HydrophobicContact CG-CG 4.3Å; P217-R240 HydrophobicContact CG-CG 4.24Å; P217-V241 HydrophobicContact CG-CB 4.4Å; P217-V241 HydrophobicContact CG-CG2 3.74Å
218F96.4Very high97.7Very high51 Ų5135 Ų3522%0.22420%0.199CC..THydrogen-bonded Turntrans-101.913.7176.4-58.1-65.5000112.7L192 D216 V220 R240 Q243 V245L192-F218 VanDerWaalsContact CD2-C 3.43Å; L192-F218 WeakPolarHBondContact CD2-O 3.17Å; D216-F218 PolarHBondContact O-N 3.2Å; D216-F218 WeakPolarHBondContact OD1-CA 3.21Å; D216-F218 WeakPolarHBondContact OD1-CB 3.43Å; D216-F218 PolarHBondContact OD1-N 3.19Å; F218-V220 HydrophobicContact CB-CG2 4.47Å; F218-V220 PolarHBondContact O-N 3.21Å; F218-R240 HydrophobicContact CE2-CG 4.48Å; F218-R240 VanDerWaalsContact CE2-CZ 3.46Å; F218-Q243 HydrophobicContact CE2-CB 4.32Å; F218-Q243 HydrophobicContact CE2-CG 4.41Å; F218-Q243 HydrophobicContact CZ-CB 4Å; F218-Q243 HydrophobicContact CZ-CG 4.08Å; F218-Q243 WeakPolarHBondContact CZ-O 3.5Å; F218-V245 HydrophobicContact CD1-CG2 3.5Å; F218-V245 HydrophobicContact CE1-CB 4.08Å; F218-V245 HydrophobicContact CE1-CG2 3.06Å; F218-V245 HydrophobicContact CG-CG2 4.41Å; F218-V245 HydrophobicContact CZ-CG2 3.63Å
219G97.2Very high97.8Very high16 Ų1638.7 Ų38.717%0.16522%0.224CC..SBendtrans75.110.7179.100000113.8D216D216-G219 PolarHBondContact O-N 3.19Å; D216-G219 PolarHBondContact OD1-N 2.96Å
220V97.9Very high97.9Very high78 Ų7840 Ų4047%0.47323%0.234SC..  trans-86.9123.7179.7-177.70000109.3I215 D216 F218 I222I215-V220 CarbonylContact C-O 3.57Å; I215-V220 WeakPolarHBondContact CA-O 3.43Å; I215-V220 WeakPolarHBondContact CG2-O 3.28Å; D216-V220 PolarHBondContact N-O 3.01Å; D216-V220 WeakPolarHBondContact OD1-CB 3.37Å; D216-V220 PolarHBondContact OD1-N 3.31Å; F218-V220 HydrophobicContact CB-CG2 4.47Å; F218-V220 PolarHBondContact O-N 3.21Å; V220-I222 PolarHBondContact O-N 2.93Å
221T98.5Very high97.9Very high53 Ų5342.1 Ų42.133%0.32525%0.245SC..EExtended strand (participates in β ladder)trans-69.7115.3171.7-58.60000109.3R213 I214 A223 A224R213-T221 HydrophobicContact CB-CG2 4.34Å; R213-T221 HydrophobicContact CG-CG2 4.11Å; I214-T221 CarbonylContact O-C 3.55Å; I214-T221 WeakPolarHBondContact O-CA 3.21Å; T221-A223 VanDerWaalsContact CG2-O 3.32Å; T221-A223 WeakPolarHBondContact CG2-O 3.33Å; T221-A224 HydrophobicContact CG2-CB 3.9Å
222I98.6Very high98Very high70 Ų7041 Ų4136%0.35924%0.24SC..EExtended strand (participates in β ladder)trans-100-16.8-178.357.8174.2000113.1Y197 I214 D216 V220 A234Y197-I222 HydrophobicContact CD1-CD1 4.27Å; Y197-I222 HydrophobicContact CE1-CD1 3.87Å; I214-I222 HydrophobicContact CB-CG1 4.13Å; I214-I222 HydrophobicContact CG2-CD1 3.87Å; I214-I222 HydrophobicContact CG2-CG1 3.81Å; I214-I222 WeakPolarHBondContact O-CG1 3.33Å; I214-I222 PolarHBondContact O-N 3.03Å; D216-I222 HydrophobicContact CB-CD1 4.39Å; D216-I222 HydrophobicContact CB-CG2 4.06Å; V220-I222 PolarHBondContact O-N 2.93Å; I222-A234 HydrophobicContact CD1-CB 3.77Å; I222-A234 HydrophobicContact CG1-CB 3.96Å
223A98.7Very high98Very high15 Ų1543.5 Ų43.512%0.12425%0.253CS..EExtended strand (participates in β ladder)trans-149.6144.8166.200000110.4R213 I214 T221 I232 M233 A234R213-A223 WeakPolarHBondContact CA-O 3.3Å; I214-A223 HydrophobicContact CB-CB 4.15Å; I214-A223 HydrophobicContact CD1-CB 4.08Å; I214-A223 HydrophobicContact CG1-CB 4.29Å; I214-A223 PolarHBondContact N-O 3.08Å; I214-A223 PolarHBondContact O-N 2.85Å; T221-A223 VanDerWaalsContact CG2-O 3.32Å; T221-A223 WeakPolarHBondContact CG2-O 3.33Å; A223-I232 HydrophobicContact CB-CB 4.29Å; A223-I232 HydrophobicContact CB-CD1 4.29Å; A223-M233 WeakPolarHBondContact CB-O 3.34Å; A223-A234 HydrophobicContact CB-CB 4.2Å
224A98.6Very high98Very high58 Ų5841.8 Ų41.848%0.47925%0.249SC..EExtended strand (participates in β ladder)trans-147.7138.1-178.200000112S212 R213 T221S212-A224 WeakPolarHBondContact O-CA 3.39Å; R213-A224 HydrophobicContact CG-CB 4.18Å; T221-A224 HydrophobicContact CG2-CB 3.9Å
225A98.5Very high97.9Very high11 Ų1149 Ų499%0.09128%0.282CS..  trans-93.6158.6166.400000110.3S212 A230 I232S212-A225 PolarHBondContact O-N 3.47Å; A225-A230 HydrophobicContact CB-CB 3.83Å; A225-I232 HydrophobicContact CB-CG2 3.9Å
226S96.5Very high97.9Very high64 Ų6449 Ų4945%0.44828%0.282SS..  trans-89.1-142169.668.30000110.2Q7 Q211Q7-S226 PolarHBondContact NE2-O 2.96Å; Q211-S226 PolarHBondContact N-O 3.42Å
227E93.7Very high97.9Very high102 Ų10251.1 Ų51.148%0.47730%0.296SS..SBendtrans-93-5.1-177.469.4-78.2-17800115C204C204-E227 WeakPolarHBondContact CB-O 3.12Å
228M96.9Very high97.8Very high114 Ų11452.4 Ų52.456%0.56230%0.304SS*.SBendtrans-104.1163.5-175.4-65.8-58.5-71.700112.1Q7 A230Q7-M228 PolarHBondContact NE2-O 2.66Å; M228-A230 PolarHBondContact O-N 3.34Å
229P98.3Very high97.7Very high83 Ų8355.4 Ų55.454%0.53932%0.318SS..  trans-52.5134.1174-26.935.7000112Q7 F8Q7-P229 CarbonylContact O-C 3.56Å; Q7-P229 WeakPolarHBondContact O-CA 3.17Å; F8-P229 HydrophobicContact CB-CB 4.43Å
230A98.5Very high97.6Very high28 Ų2858.3 Ų58.323%0.23132%0.324CS..EExtended strand (participates in β ladder)trans-156.9157.6-17300000111.6Q7 A225 M228Q7-A230 HydrophobicContact CB-CB 4.4Å; Q7-A230 PolarHBondContact N-O 3.24Å; Q7-A230 PolarHBondContact O-N 2.67Å; A225-A230 HydrophobicContact CB-CB 3.83Å; M228-A230 PolarHBondContact O-N 3.34Å
231L98.6Very high97.4Very high45 Ų4555.8 Ų55.824%0.23631%0.309CS..EExtended strand (participates in β ladder)trans-124.2115.6166.1178.360.5000106.8A4 L24 Q27 F36 M233A4-L231 HydrophobicContact CB-CD1 4.03Å; L24-L231 HydrophobicContact CD2-CB 4.39Å; Q27-L231 HydrophobicContact CB-CD2 3.82Å; F36-L231 HydrophobicContact CD2-CD1 4.29Å; F36-L231 HydrophobicContact CE2-CD1 3.49Å; F36-L231 VanDerWaalsContact CE2-CD1 3.49Å; F36-L231 HydrophobicContact CZ-CD1 4.12Å; L231-M233 HydrophobicContact CD1-CE 4.4Å; L231-M233 HydrophobicContact CD2-CE 3.4Å; L231-M233 HydrophobicContact CG-CE 3.7Å
232I98.8Very high97.1Very high17 Ų1760.1 Ų60.19%0.08732%0.319CS..EExtended strand (participates in β ladder)trans-109.6146.6177.762.4167.9000109.9A4 A5 S212 I214 A223 A225A4-I232 CarbonylContact C-O 3.51Å; A4-I232 WeakPolarHBondContact CA-O 3.46Å; A4-I232 WeakPolarHBondContact CB-O 3.31Å; A5-I232 HydrophobicContact CB-CD1 4.2Å; A5-I232 HydrophobicContact CB-CG1 3.85Å; A5-I232 PolarHBondContact N-O 2.94Å; A5-I232 PolarHBondContact O-N 3.24Å; S212-I232 WeakPolarHBondContact O-CD1 3.44Å; I214-I232 HydrophobicContact CD1-CG1 4.44Å; I214-I232 HydrophobicContact CG1-CD1 4.14Å; A223-I232 HydrophobicContact CB-CB 4.29Å; A223-I232 HydrophobicContact CB-CD1 4.29Å; A225-I232 HydrophobicContact CB-CG2 3.9Å
233M98.8Very high96.5Very high54 Ų5461.2 Ų61.227%0.26632%0.323SS..EExtended strand (participates in β ladder)trans-136.8151.5-176.7-54.9-175.9-179.500110.4L2 V3 A4 N31 V33 A223 L231L2-M233 HydrophobicContact CD1-CB 4.36Å; L2-M233 HydrophobicContact CD2-SD 4.06Å; V3-M233 VanDerWaalsContact O-CA 3.26Å; V3-M233 WeakPolarHBondContact O-CA 3.39Å; A4-M233 HydrophobicContact CB-CG 3.86Å; N31-M233 HydrophobicContact CB-CE 3.79Å; N31-M233 HydrophobicContact CB-SD 3.71Å; V33-M233 HydrophobicContact CG2-CE 4.11Å; V33-M233 HydrophobicContact CG2-SD 4.01Å; A223-M233 WeakPolarHBondContact CB-O 3.34Å; L231-M233 HydrophobicContact CD1-CE 4.4Å; L231-M233 HydrophobicContact CD2-CE 3.4Å; L231-M233 HydrophobicContact CG-CE 3.7Å
234A98.7Very high94.9Very high11 Ų1169.4 Ų69.49%0.09136%0.356CS..EExtended strand (participates in β ladder)trans-155.2153170.700000110.8V3 I214 I222 A223V3-A234 PolarHBondContact N-O 2.93Å; V3-A234 PolarHBondContact O-N 3.32Å; I214-A234 HydrophobicContact CB-CB 4.25Å; I214-A234 HydrophobicContact CD1-CB 3.74Å; I214-A234 HydrophobicContact CG2-CB 3.94Å; I222-A234 HydrophobicContact CD1-CB 3.77Å; I222-A234 HydrophobicContact CG1-CB 3.96Å; A223-A234 HydrophobicContact CB-CB 4.2Å
235E98.4Very high93.1Very high152 Ų15271.3 Ų71.371%0.7136%0.361SS*.EExtended strand (participates in β ladder)trans-78.9136.8169.9-67.5-176.9-178.800110.7L2L2-E235 HydrophobicContact CD1-CG 4.02Å
236V98.1Very high90.9Very high0 Ų074.5 Ų74.50%038%0.383CS..  trans-125.4141.8172.6-53.70000109.8M1 V3 M140 I166 Y197M1-V236 HydrophobicContact CE-CG2 3.88Å; M1-V236 HydrophobicContact CG-CG2 3.52Å; M1-V236 PolarHBondContact N-O 2.78Å; M1-V236 PolarHBondContact O-N 3.36Å; V3-V236 HydrophobicContact CG1-CB 4.43Å; V3-V236 HydrophobicContact CG1-CG1 4.04Å; V3-V236 HydrophobicContact CG1-CG2 3.51Å; V3-V236 HydrophobicContact CG2-CG1 3.7Å; M140-V236 HydrophobicContact SD-CG2 3.98Å; I166-V236 HydrophobicContact CD1-CG2 3.78Å; Y197-V236 HydrophobicContact CD1-CB 4.16Å; Y197-V236 HydrophobicContact CD1-CG1 3.61Å; Y197-V236 HydrophobicContact CD2-CB 4.1Å; Y197-V236 HydrophobicContact CD2-CG1 4.37Å; Y197-V236 HydrophobicContact CE1-CB 3.94Å; Y197-V236 HydrophobicContact CE1-CG1 3.65Å; Y197-V236 HydrophobicContact CE2-CB 3.87Å; Y197-V236 HydrophobicContact CE2-CG1 4.39Å; Y197-V236 HydrophobicContact CG-CB 4.22Å; Y197-V236 HydrophobicContact CG-CG1 3.97Å
237T97.4Very high88.6Confident49 Ų4980 Ų8030%0.30140%0.404SS..  trans-134.1142.1-178.969.90000111.5Y197 E239 R240Y197-T237 PolarHBondContact OH-N 2.85Å; T237-E239 WeakPolarHBondContact CB-OE2 3.42Å; T237-E239 PolarHBondContact O-N 2.93Å; T237-R240 PolarHBondContact O-N 3.01Å; T237-R240 PolarHBondContact OG1-N 3.13Å
238P95.7Very high86.4Confident30 Ų3078 Ų7820%0.19541%0.41CS..Hα-helixtrans-59.2-28.9171.7-19.429.5000112.5M140 R240 V241 R242M140-P238 HydrophobicContact CE-CG 4.3Å; M140-P238 HydrophobicContact CG-CG 3.71Å; M140-P238 HydrophobicContact SD-CG 3.87Å; P238-R240 VanDerWaalsContact C-N 3.32Å; P238-R240 PolarHBondContact O-N 2.89Å; P238-V241 PolarHBondContact O-N 2.91Å; P238-R242 WeakPolarHBondContact O-CG 3.43Å; P238-R242 PolarHBondContact O-N 2.94Å; P238-R242 VanDerWaalsContact O-N 3.07Å
239E95.2Very high84.4Confident113 Ų11380.1 Ų80.153%0.52842%0.419SS..Hα-helixtrans-61.8-38.5176.8-68.963-133.200112.1T237 V241 R242 Q243T237-E239 WeakPolarHBondContact CB-OE2 3.42Å; T237-E239 PolarHBondContact O-N 2.93Å; E239-V241 VanDerWaalsContact C-N 3.34Å; E239-R242 CarbonylContact O-C 3.53Å; E239-R242 PolarHBondContact O-N 3.1Å; E239-R242 IonicContact OE1-CZ 2.72Å; E239-R242 IonicContact OE1-NH2 3.33Å; E239-R242 PolarHBondContact OE1-NH2 2.85Å; E239-Q243 WeakPolarHBondContact O-CB 3.31Å; E239-Q243 PolarHBondContact O-N 2.83Å
240R95.4Very high82.7Confident77 Ų7780.6 Ų80.629%0.29142%0.416SS..Hα-helixtrans-66.5-37.2178.9-172.567.1170.2171.7-4.7111.8Y197 D216 P217 F218 T237 P238 Q243Y197-R240 HydrophobicContact CE2-CB 4.02Å; Y197-R240 HydrophobicContact CE2-CG 4.31Å; Y197-R240 WeakPolarHBondContact OH-CB 3.33Å; Y197-R240 VanDerWaalsContact OH-CG 3.25Å; Y197-R240 WeakPolarHBondContact OH-CG 3.48Å; D216-R240 IonicContact OD2-CZ 3.38Å; D216-R240 IonicContact OD2-NE 3.7Å; D216-R240 PolarHBondContact OD2-NE 3.49Å; D216-R240 VanDerWaalsContact OD2-NE 3.13Å; D216-R240 IonicContact OD2-NH2 3.92Å; D216-R240 PolarHBondContact OD2-NH2 3.24Å; P217-R240 HydrophobicContact CG-CG 4.24Å; F218-R240 HydrophobicContact CE2-CG 4.48Å; F218-R240 VanDerWaalsContact CE2-CZ 3.46Å; T237-R240 PolarHBondContact O-N 3.01Å; T237-R240 PolarHBondContact OG1-N 3.13Å; P238-R240 VanDerWaalsContact C-N 3.32Å; P238-R240 PolarHBondContact O-N 2.89Å; R240-Q243 WeakPolarHBondContact O-CB 3.3Å; R240-Q243 PolarHBondContact O-N 3.18Å
241V93.9Very high81.6Confident25 Ų2581.6 Ų81.615%0.15242%0.421CS..Hα-helixtrans-66.6-41.3174.8174.70000110.9M140 E165 T195 Y197 P217 P238 E239 Q243M140-V241 HydrophobicContact CE-CG2 4.35Å; E165-V241 HydrophobicContact CB-CG1 4.43Å; E165-V241 HydrophobicContact CB-CG2 4.19Å; E165-V241 HydrophobicContact CG-CG1 4.18Å; T195-V241 WeakPolarHBondContact O-CG1 3.18Å; Y197-V241 HydrophobicContact CD2-CG2 3.72Å; Y197-V241 HydrophobicContact CE2-CG2 3.78Å; P217-V241 HydrophobicContact CG-CB 4.4Å; P217-V241 HydrophobicContact CG-CG2 3.74Å; P238-V241 PolarHBondContact O-N 2.91Å; E239-V241 VanDerWaalsContact C-N 3.34Å; V241-Q243 VanDerWaalsContact C-N 3.26Å; V241-Q243 PolarHBondContact O-N 3.42Å
242R90.9Very high80.6Confident144 Ų14485.9 Ų85.954%0.54344%0.443SS..Hα-helixtrans-77.1-10.1177.7-68.4-172.3-68-90.96.6114E165 P238 E239 K244E165-R242 IonicContact OE1-NH1 2.69Å; P238-R242 WeakPolarHBondContact O-CG 3.43Å; P238-R242 PolarHBondContact O-N 2.94Å; P238-R242 VanDerWaalsContact O-N 3.07Å; E239-R242 CarbonylContact O-C 3.53Å; E239-R242 PolarHBondContact O-N 3.1Å; E239-R242 IonicContact OE1-CZ 2.72Å; E239-R242 IonicContact OE1-NH2 3.33Å; E239-R242 PolarHBondContact OE1-NH2 2.85Å; R242-K244 PolarHBondContact O-N 3.4Å
243Q86.3Confident79.8Confident93 Ų9389.7 Ų89.744%0.43547%0.467SS..  trans-65.6109.9-178.4-175.3173.87.100109F218 E239 R240 V241 V245F218-Q243 HydrophobicContact CE2-CB 4.32Å; F218-Q243 HydrophobicContact CE2-CG 4.41Å; F218-Q243 HydrophobicContact CZ-CB 4Å; F218-Q243 HydrophobicContact CZ-CG 4.08Å; F218-Q243 WeakPolarHBondContact CZ-O 3.5Å; E239-Q243 WeakPolarHBondContact O-CB 3.31Å; E239-Q243 PolarHBondContact O-N 2.83Å; R240-Q243 WeakPolarHBondContact O-CB 3.3Å; R240-Q243 PolarHBondContact O-N 3.18Å; V241-Q243 VanDerWaalsContact C-N 3.26Å; V241-Q243 PolarHBondContact O-N 3.42Å; Q243-V245 PolarHBondContact O-N 2.77Å
244K65.8Low79.1Confident188 Ų18893.5 Ų93.582%0.81748%0.482SS*.  trans-71.5120.2167.4-62.7-174.1179.6-177.60107.3R242 S246R242-K244 PolarHBondContact O-N 3.4Å; K244-S246 PolarHBondContact O-N 3.44Å
245V60.2Low78.4Confident97 Ų9797.4 Ų97.459%0.58850%0.501SS*.  trans-65.295.5156.8166.30000105F218 Q243 M247F218-V245 HydrophobicContact CD1-CG2 3.5Å; F218-V245 HydrophobicContact CE1-CB 4.08Å; F218-V245 HydrophobicContact CE1-CG2 3.06Å; F218-V245 HydrophobicContact CG-CG2 4.41Å; F218-V245 HydrophobicContact CZ-CG2 3.63Å; Q243-V245 PolarHBondContact O-N 2.77Å; V245-M247 VanDerWaalsContact C-N 3.29Å; V245-M247 PolarHBondContact O-N 2.87Å
246S52.5Low78Confident79 Ų7995.5 Ų95.555%0.55250%0.495SS*.  trans-58.8104.5166.562.20000105.1K244 G248K244-S246 PolarHBondContact O-N 3.44Å; S246-G248 PolarHBondContact O-N 2.98Å
247M48.8Very low77.6Confident180 Ų18099.7 Ų99.789%0.88752%0.521SS*.  trans-67.382.6174.4-143.8175.672.200105.9V245 E249V245-M247 VanDerWaalsContact C-N 3.29Å; V245-M247 PolarHBondContact O-N 2.87Å; M247-E249 PolarHBondContact O-N 3.42Å; M247-E249 VanDerWaalsContact O-N 3.1Å
248G47.7Very low77Confident59 Ų59101 Ų10161%0.60853%0.529SS*.  trans22.870.7-170.800000113.8S246 I250S246-G248 PolarHBondContact O-N 2.98Å; G248-I250 PolarHBondContact O-N 3.18Å
249E54.3Low76.6Confident159 Ų159101.9 Ų101.974%0.74354%0.538SS*.  trans-55.2112.7166-77.9-173.217500106.1M247 S251M247-E249 PolarHBondContact O-N 3.42Å; M247-E249 VanDerWaalsContact O-N 3.1Å; E249-S251 VanDerWaalsContact C-N 3.26Å; E249-S251 PolarHBondContact O-N 3.17Å
250I63.8Low76.3Confident93 Ų9398.9 Ų98.948%0.47753%0.533SS..  trans-63.1100.7173-56.6178000103.7G248 K254 L255G248-I250 PolarHBondContact O-N 3.18Å; I250-K254 HydrophobicContact CG2-CB 3.37Å; I250-L255 HydrophobicContact CB-CG 4.13Å; I250-L255 HydrophobicContact CG2-CB 4.29Å; I250-L255 HydrophobicContact CG2-CD2 4.39Å; I250-L255 HydrophobicContact CG2-CG 3.7Å; I250-L255 WeakPolarHBondContact O-CD1 3.25Å
251S73.6Confident76Confident48 Ų4899.6 Ų99.634%0.33654%0.542SS..  trans-50.1150.5179.6730000109.1E249 T253 K254 L255E249-S251 VanDerWaalsContact C-N 3.26Å; E249-S251 PolarHBondContact O-N 3.17Å; S251-T253 CarbonylContact O-C 3.58Å; S251-T253 PolarHBondContact O-N 3.5Å; S251-T253 PolarHBondContact OG-OG1 2.82Å; S251-K254 CarbonylContact O-C 3.52Å; S251-K254 WeakPolarHBondContact O-CA 3.2Å; S251-K254 PolarHBondContact O-N 3.05Å; S251-K254 PolarHBondContact OG-N 3.18Å; S251-K254 VanDerWaalsContact OG-N 3.13Å; S251-L255 PolarHBondContact O-N 2.89Å
252I78.2Confident75.6Confident135 Ų135100.6 Ų100.669%0.69255%0.548SS*.Hα-helixtrans-48.4-36.4175.4-80.7166.5000110.9L255 L256I252-L255 WeakPolarHBondContact O-CB 3.4Å; I252-L255 PolarHBondContact O-N 3.49Å; I252-L256 HydrophobicContact CG2-CD1 3.84Å; I252-L256 HydrophobicContact CG2-CG 4.25Å; I252-L256 WeakPolarHBondContact O-CB 3.47Å; I252-L256 WeakPolarHBondContact O-CG 3.34Å; I252-L256 PolarHBondContact O-N 3.38Å
253T83.2Confident75.3Confident98 Ų9896.5 Ų96.560%0.60154%0.539SS*.Hα-helixtrans-60.1-48.1171.515.50000113.9S251 L255 L256 V257S251-T253 CarbonylContact O-C 3.58Å; S251-T253 PolarHBondContact O-N 3.5Å; S251-T253 PolarHBondContact OG-OG1 2.82Å; T253-L255 VanDerWaalsContact C-N 3.35Å; T253-L256 PolarHBondContact O-N 2.77Å; T253-V257 WeakPolarHBondContact O-CG2 3.36Å; T253-V257 PolarHBondContact O-N 3.12Å
254K83.5Confident75.4Confident133 Ų13398.9 Ų98.958%0.57855%0.554SS**Hα-helixtrans-65.1-38.1174.8-72.3175.9177.6175.90111.6I250 S251 L256 V257 V258I250-K254 HydrophobicContact CG2-CB 3.37Å; S251-K254 CarbonylContact O-C 3.52Å; S251-K254 WeakPolarHBondContact O-CA 3.2Å; S251-K254 PolarHBondContact O-N 3.05Å; S251-K254 PolarHBondContact OG-N 3.18Å; S251-K254 VanDerWaalsContact OG-N 3.13Å; K254-L256 VanDerWaalsContact C-N 3.34Å; K254-V257 PolarHBondContact O-N 3.36Å; K254-V258 VanDerWaalsContact O-CG2 3.31Å; K254-V258 WeakPolarHBondContact O-CG2 3.38Å; K254-V258 PolarHBondContact O-N 2.94Å
255L84.1Confident76.4Confident94 Ų9496.3 Ų96.349%0.49255%0.548SS..Hα-helixtrans-62.2-41.6173.9-90.7162.6000111.3I250 S251 I252 T253 V258 A259I250-L255 HydrophobicContact CB-CG 4.13Å; I250-L255 HydrophobicContact CG2-CB 4.29Å; I250-L255 HydrophobicContact CG2-CD2 4.39Å; I250-L255 HydrophobicContact CG2-CG 3.7Å; I250-L255 WeakPolarHBondContact O-CD1 3.25Å; S251-L255 PolarHBondContact O-N 2.89Å; I252-L255 WeakPolarHBondContact O-CB 3.4Å; I252-L255 PolarHBondContact O-N 3.49Å; T253-L255 VanDerWaalsContact C-N 3.35Å; L255-V258 PolarHBondContact O-N 2.85Å; L255-A259 VanDerWaalsContact O-CB 3.3Å; L255-A259 WeakPolarHBondContact O-CB 3.32Å; L255-A259 PolarHBondContact O-N 3.3Å
256L88.5Confident77.5Confident111 Ų11196.7 Ų96.758%0.58154%0.542SS*.Hα-helixtrans-67.1-38.6175.6-73.9170.8000112I252 T253 K254 A259 A260I252-L256 HydrophobicContact CG2-CD1 3.84Å; I252-L256 HydrophobicContact CG2-CG 4.25Å; I252-L256 WeakPolarHBondContact O-CB 3.47Å; I252-L256 WeakPolarHBondContact O-CG 3.34Å; I252-L256 PolarHBondContact O-N 3.38Å; T253-L256 PolarHBondContact O-N 2.77Å; K254-L256 VanDerWaalsContact C-N 3.34Å; L256-A259 PolarHBondContact O-N 3.43Å; L256-A260 VanDerWaalsContact O-CB 3.28Å; L256-A260 WeakPolarHBondContact O-CB 3.5Å; L256-A260 PolarHBondContact O-N 3.29Å
257V89.9Confident78.7Confident89 Ų8994.4 Ų94.454%0.53953%0.531SS..Hα-helixtrans-64.1-45.3173.4170.70000110.7T253 K254 A259 A260 L261T253-V257 WeakPolarHBondContact O-CG2 3.36Å; T253-V257 PolarHBondContact O-N 3.12Å; K254-V257 PolarHBondContact O-N 3.36Å; V257-A259 PolarHBondContact O-N 2.94Å; V257-A260 PolarHBondContact O-N 3.48Å; V257-L261 HydrophobicContact CG1-CD1 4.12Å; V257-L261 WeakPolarHBondContact O-CB 3.45Å; V257-L261 WeakPolarHBondContact O-CG 3.22Å; V257-L261 PolarHBondContact O-N 3.01Å
258V86.5Confident79.9Confident77 Ų7790.7 Ų90.747%0.46752%0.519SS..Hα-helixtrans-60.8-45.2174.5171.30000110.5K254 L255 A260 L261 V262K254-V258 VanDerWaalsContact O-CG2 3.31Å; K254-V258 WeakPolarHBondContact O-CG2 3.38Å; K254-V258 PolarHBondContact O-N 2.94Å; L255-V258 PolarHBondContact O-N 2.85Å; V258-A260 PolarHBondContact O-N 3.37Å; V258-L261 PolarHBondContact O-N 3.27Å; V258-V262 HydrophobicContact CG1-CG2 4.46Å; V258-V262 VanDerWaalsContact O-CG2 3.27Å; V258-V262 WeakPolarHBondContact O-CG2 3.39Å; V258-V262 PolarHBondContact O-N 3.35Å
259A85.5Confident81Confident48 Ų4896.8 Ų96.840%0.39753%0.528SS..Hα-helixtrans-62.3-42.1176.700000112.1L255 L256 V257 V262 V263L255-A259 VanDerWaalsContact O-CB 3.3Å; L255-A259 WeakPolarHBondContact O-CB 3.32Å; L255-A259 PolarHBondContact O-N 3.3Å; L256-A259 PolarHBondContact O-N 3.43Å; V257-A259 PolarHBondContact O-N 2.94Å; A259-V262 PolarHBondContact O-N 2.88Å; A259-V263 VanDerWaalsContact O-CG2 3.22Å; A259-V263 WeakPolarHBondContact O-CG2 3.27Å; A259-V263 PolarHBondContact O-N 3.27Å
260A88.9Confident81.5Confident50 Ų5094.7 Ų94.741%0.41352%0.517SS..Hα-helixtrans-64-41.8176.100000111.8L256 V257 V258 V263 L264L256-A260 VanDerWaalsContact O-CB 3.28Å; L256-A260 WeakPolarHBondContact O-CB 3.5Å; L256-A260 PolarHBondContact O-N 3.29Å; V257-A260 PolarHBondContact O-N 3.48Å; V258-A260 PolarHBondContact O-N 3.37Å; A260-V263 PolarHBondContact O-N 3.25Å; A260-L264 WeakPolarHBondContact O-CB 3.23Å; A260-L264 PolarHBondContact O-N 3.39Å
261L90.3Very high81.6Confident91 Ų9193.7 Ų93.748%0.47651%0.512SS..Hα-helixtrans-63.2-41.7173.4-74.1170.8000111.7V257 V258 L264 L265V257-L261 HydrophobicContact CG1-CD1 4.12Å; V257-L261 WeakPolarHBondContact O-CB 3.45Å; V257-L261 WeakPolarHBondContact O-CG 3.22Å; V257-L261 PolarHBondContact O-N 3.01Å; V258-L261 PolarHBondContact O-N 3.27Å; L261-L264 PolarHBondContact O-N 3.45Å; L261-L265 VanDerWaalsContact O-CB 3.32Å; L261-L265 WeakPolarHBondContact O-CB 3.16Å; L261-L265 VanDerWaalsContact O-CG 3.26Å; L261-L265 WeakPolarHBondContact O-CG 3.49Å; L261-L265 PolarHBondContact O-N 2.93Å
262V84.7Confident81.3Confident47 Ų47102.4 Ų102.429%0.28554%0.537SS..Hα-helixtrans-62.5-43.2174.5169.20000110.9V258 A259 F266V258-V262 HydrophobicContact CG1-CG2 4.46Å; V258-V262 VanDerWaalsContact O-CG2 3.27Å; V258-V262 WeakPolarHBondContact O-CG2 3.39Å; V258-V262 PolarHBondContact O-N 3.35Å; A259-V262 PolarHBondContact O-N 2.88Å; V262-F266 HydrophobicContact CG1-CD2 4.05Å; V262-F266 WeakPolarHBondContact O-CB 3.44Å; V262-F266 WeakPolarHBondContact O-CD2 3.45Å; V262-F266 PolarHBondContact O-N 2.95Å
263V84.6Confident80.9Confident58 Ų5899.7 Ų99.735%0.35253%0.527SS..Hα-helixtrans-63.6-42.7175.4173.20000111.3A259 A260 G267 T268 L271A259-V263 VanDerWaalsContact O-CG2 3.22Å; A259-V263 WeakPolarHBondContact O-CG2 3.27Å; A259-V263 PolarHBondContact O-N 3.27Å; A260-V263 PolarHBondContact O-N 3.25Å; V263-G267 WeakPolarHBondContact O-CA 3.09Å; V263-G267 PolarHBondContact O-N 3.4Å; V263-T268 HydrophobicContact CG1-CG2 3.97Å; V263-L271 HydrophobicContact CB-CD1 4.4Å; V263-L271 HydrophobicContact CG2-CD1 3.47Å; V263-L271 VanDerWaalsContact CG2-CD1 3.47Å
264L88.4Confident80.3Confident142 Ų14298.9 Ų98.974%0.74352%0.519SS*.Hα-helixtrans-65.1-43.6178.4-91.3155.3000112.4A260 L261A260-L264 WeakPolarHBondContact O-CB 3.23Å; A260-L264 PolarHBondContact O-N 3.39Å; L261-L264 PolarHBondContact O-N 3.45Å
265L86.6Confident79.8Confident134 Ų13494.8 Ų94.870%0.70252%0.515SS*.Hα-helixtrans-78.3-38.7-176.2-71170.3000113L261L261-L265 VanDerWaalsContact O-CB 3.32Å; L261-L265 WeakPolarHBondContact O-CB 3.16Å; L261-L265 VanDerWaalsContact O-CG 3.26Å; L261-L265 WeakPolarHBondContact O-CG 3.49Å; L261-L265 PolarHBondContact O-N 2.93Å
266F83.5Confident79.6Confident106 Ų10692.5 Ų92.547%0.46551%0.514SS..Hα-helixtrans-107.8-10.1-172.1-62.3-75.9000114.1V262 K270V262-F266 HydrophobicContact CG1-CD2 4.05Å; V262-F266 WeakPolarHBondContact O-CB 3.44Å; V262-F266 WeakPolarHBondContact O-CD2 3.45Å; V262-F266 PolarHBondContact O-N 2.95Å; F266-K270 HydrophobicContact CB-CB 4.17Å; F266-K270 HydrophobicContact CB-CD 4.17Å; F266-K270 HydrophobicContact CD1-CD 4.06Å
267G77.8Confident79.1Confident31 Ų3192.2 Ų92.232%0.3251%0.513SS..Hα-helixtrans68161.9-172.600000112.9V263 K269 K270V263-G267 WeakPolarHBondContact O-CA 3.09Å; V263-G267 PolarHBondContact O-N 3.4Å; G267-K269 PolarHBondContact O-N 2.91Å; G267-K270 PolarHBondContact O-N 3.41Å
268T75.5Confident78.6Confident102 Ų10293.3 Ų93.363%0.62652%0.515SS*.Hα-helixtrans-67.7-19.1178.7550000113.5V263 L271V263-T268 HydrophobicContact CG1-CG2 3.97Å; T268-L271 PolarHBondContact O-N 2.89Å
269K69.3Low78.4Confident187 Ų18791.5 Ų91.581%0.81351%0.512SS*.Hα-helixtrans-68.1-37.8179.6-74.7-175177.5179.60112.9G267G267-K269 PolarHBondContact O-N 2.91Å
270K65.2Low78.2Confident115 Ų11592.2 Ų92.250%0.552%0.518SS..Hα-helixtrans-74.7-24.5176.5-81.8-167.2172.4-170.80113.3F266 G267 R272 T273 L274F266-K270 HydrophobicContact CB-CB 4.17Å; F266-K270 HydrophobicContact CB-CD 4.17Å; F266-K270 HydrophobicContact CD1-CD 4.06Å; G267-K270 PolarHBondContact O-N 3.41Å; K270-R272 VanDerWaalsContact C-N 3.25Å; K270-R272 PolarHBondContact O-N 2.51Å; K270-T273 PolarHBondContact O-N 3.26Å; K270-T273 PolarHBondContact O-OG1 2.69Å; K270-L274 HydrophobicContact CB-CD1 4.38Å; K270-L274 VanDerWaalsContact O-CB 3.31Å; K270-L274 WeakPolarHBondContact O-CB 3.28Å; K270-L274 WeakPolarHBondContact O-CG 3.39Å; K270-L274 PolarHBondContact O-N 3.2Å
271L65.1Low77.9Confident72 Ų7292.8 Ų92.838%0.37752%0.522SS..Hα-helixtrans-62.1-34.1176.5-88.2152.7000112.6V263 T268 G275V263-L271 HydrophobicContact CB-CD1 4.4Å; V263-L271 HydrophobicContact CG2-CD1 3.47Å; V263-L271 VanDerWaalsContact CG2-CD1 3.47Å; T268-L271 PolarHBondContact O-N 2.89Å; L271-G275 PolarHBondContact O-N 3Å; L271-G275 VanDerWaalsContact O-N 3.12Å
272R68Low77.4Confident230 Ų23093.6 Ų93.687%0.86853%0.526SS*.Hα-helixtrans-66.2-37.5176.8-117.2-178.5173.8173.9-2.5112.8K270K270-R272 VanDerWaalsContact C-N 3.25Å; K270-R272 PolarHBondContact O-N 2.51Å
273T71Confident77.4Confident78 Ų7899.3 Ų99.348%0.47955%0.547SS..Hα-helixtrans-79.6-41.6177.658.30000110.9K270 G275 G276 D277K270-T273 PolarHBondContact O-N 3.26Å; K270-T273 PolarHBondContact O-OG1 2.69Å; T273-G275 VanDerWaalsContact C-N 3.3Å; T273-G275 PolarHBondContact O-N 3.3Å; T273-G276 PolarHBondContact O-N 2.79Å; T273-D277 VanDerWaalsContact O-CG 3.25Å; T273-D277 PolarHBondContact O-N 3.37Å
274L69.1Low77.4Confident81 Ų8198.5 Ų98.542%0.42455%0.55SS.*Hα-helixtrans-54.6-42.2176.2-89.2157.8000112.7K270 G276 D277 L278K270-L274 HydrophobicContact CB-CD1 4.38Å; K270-L274 VanDerWaalsContact O-CB 3.31Å; K270-L274 WeakPolarHBondContact O-CB 3.28Å; K270-L274 WeakPolarHBondContact O-CG 3.39Å; K270-L274 PolarHBondContact O-N 3.2Å; L274-G276 VanDerWaalsContact C-N 3.34Å; L274-G276 PolarHBondContact O-N 2.82Å; L274-D277 PolarHBondContact O-N 2.98Å; L274-L278 WeakPolarHBondContact O-CB 3.28Å; L274-L278 PolarHBondContact O-N 2.92Å
275G73.7Confident77.1Confident48 Ų4898.6 Ų98.650%0.49555%0.545SS..Hα-helixtrans-62.5-40.617700000112.9L271 T273 G279L271-G275 PolarHBondContact O-N 3Å; L271-G275 VanDerWaalsContact O-N 3.12Å; T273-G275 VanDerWaalsContact C-N 3.3Å; T273-G275 PolarHBondContact O-N 3.3Å; G275-G279 PolarHBondContact O-N 3.14Å
276G79.5Confident77Confident45 Ų4598.9 Ų98.946%0.46454%0.541SS..Hα-helixtrans-67.8-46.3175.300000112.5T273 L274 G279 A280T273-G276 PolarHBondContact O-N 2.79Å; L274-G276 VanDerWaalsContact C-N 3.34Å; L274-G276 PolarHBondContact O-N 2.82Å; G276-G279 PolarHBondContact O-N 2.67Å; G276-A280 WeakPolarHBondContact O-CB 3.26Å; G276-A280 PolarHBondContact O-N 3.04Å
277D79.3Confident77.1Confident105 Ų105100.2 Ų100.256%0.56155%0.546SS*.Hα-helixtrans-64.8-42.5-179.5-64.1-26000111.5T273 L274 A280 A281T273-D277 VanDerWaalsContact O-CG 3.25Å; T273-D277 PolarHBondContact O-N 3.37Å; L274-D277 PolarHBondContact O-N 2.98Å; D277-A280 PolarHBondContact O-N 3.3Å; D277-A281 WeakPolarHBondContact O-CB 3.46Å; D277-A281 PolarHBondContact O-N 3.05Å
278L78.3Confident77.3Confident113 Ų113101 Ų10159%0.59255%0.55SS**Hα-helixtrans-66.5-42.4176.3-165.577.1000111.2L274 A280 A281 I282L274-L278 WeakPolarHBondContact O-CB 3.28Å; L274-L278 PolarHBondContact O-N 2.92Å; L278-A280 VanDerWaalsContact C-N 3.32Å; L278-A280 PolarHBondContact O-N 3.29Å; L278-A281 PolarHBondContact O-N 2.99Å; L278-I282 HydrophobicContact CG-CD1 4.21Å; L278-I282 VanDerWaalsContact O-CG1 3.31Å; L278-I282 WeakPolarHBondContact O-CG1 3.28Å; L278-I282 PolarHBondContact O-N 3.04Å
279G81.5Confident77.4Confident39 Ų39101.2 Ų101.240%0.40255%0.545SS..Hα-helixtrans-60.9-41.317400000112.4G275 G276 K283G275-G279 PolarHBondContact O-N 3.14Å; G276-G279 PolarHBondContact O-N 2.67Å; G279-K283 WeakPolarHBondContact O-CB 3.41Å; G279-K283 PolarHBondContact O-N 3.21Å
280A82.7Confident78.1Confident62 Ų6296.5 Ų96.551%0.51253%0.529SS..Hα-helixtrans-65.9-41.9174.900000112G276 D277 L278 K283 G284G276-A280 WeakPolarHBondContact O-CB 3.26Å; G276-A280 PolarHBondContact O-N 3.04Å; D277-A280 PolarHBondContact O-N 3.3Å; L278-A280 VanDerWaalsContact C-N 3.32Å; L278-A280 PolarHBondContact O-N 3.29Å; A280-K283 PolarHBondContact O-N 3.08Å; A280-G284 PolarHBondContact O-N 2.91Å
281A81.2Confident78.8Confident62 Ų6295.1 Ų95.151%0.51253%0.527SS..Hα-helixtrans-63.4-45.3176.900000112.1D277 L278 K283 G284 F285D277-A281 WeakPolarHBondContact O-CB 3.46Å; D277-A281 PolarHBondContact O-N 3.05Å; L278-A281 PolarHBondContact O-N 2.99Å; A281-K283 VanDerWaalsContact C-N 3.34Å; A281-K283 PolarHBondContact O-N 3.31Å; A281-G284 PolarHBondContact O-N 3.49Å; A281-F285 WeakPolarHBondContact O-CB 3.29Å; A281-F285 PolarHBondContact O-N 2.89Å
282I80.6Confident79.1Confident109 Ų10997.2 Ų97.256%0.55954%0.539SS*.Hα-helixtrans-62.9-42.4176.1-68167.8000110.6L278 F285 K286L278-I282 HydrophobicContact CG-CD1 4.21Å; L278-I282 VanDerWaalsContact O-CG1 3.31Å; L278-I282 WeakPolarHBondContact O-CG1 3.28Å; L278-I282 PolarHBondContact O-N 3.04Å; I282-F285 PolarHBondContact O-N 3.05Å; I282-K286 WeakPolarHBondContact O-CB 3.27Å; I282-K286 PolarHBondContact O-N 3.36Å
283K84.8Confident79.1Confident166 Ų16690.8 Ų90.872%0.72252%0.521SS*.Hα-helixtrans-66.2-39177.2-165.8176.2-176179.70111.8G279 A280 A281 K287G279-K283 WeakPolarHBondContact O-CB 3.41Å; G279-K283 PolarHBondContact O-N 3.21Å; A280-K283 PolarHBondContact O-N 3.08Å; A281-K283 VanDerWaalsContact C-N 3.34Å; A281-K283 PolarHBondContact O-N 3.31Å; K283-K287 WeakPolarHBondContact O-CB 3.17Å; K283-K287 PolarHBondContact O-N 2.81Å
284G84.1Confident79.1Confident41 Ų4189.6 Ų89.642%0.42352%0.519SS..Hα-helixtrans-63.3-44.7173.900000112.3A280 A281 K287 A288A280-G284 PolarHBondContact O-N 2.91Å; A281-G284 PolarHBondContact O-N 3.49Å; G284-K287 PolarHBondContact O-N 3.29Å; G284-A288 PolarHBondContact O-N 3.35Å
285F82.8Confident79.1Confident145 Ų14588.6 Ų88.664%0.63652%0.523SS*.Hα-helixtrans-62.6-46.1176.2-168.7-91.7000112A281 I282 K287 A288 M289A281-F285 WeakPolarHBondContact O-CB 3.29Å; A281-F285 PolarHBondContact O-N 2.89Å; I282-F285 PolarHBondContact O-N 3.05Å; F285-K287 VanDerWaalsContact C-N 3.28Å; F285-K287 PolarHBondContact O-N 3.29Å; F285-A288 PolarHBondContact O-N 3.18Å; F285-M289 HydrophobicContact CD1-SD 4.34Å; F285-M289 HydrophobicContact CE1-CG 4.2Å; F285-M289 HydrophobicContact CE1-SD 3.74Å; F285-M289 PolarHBondContact O-N 3.25Å
286K85.4Confident78.8Confident140 Ų14089.3 Ų89.361%0.60952%0.524SS*.Hα-helixtrans-61.8-36.8175.8-173.4173.4-177174.40112.2I282 N290I282-K286 WeakPolarHBondContact O-CB 3.27Å; I282-K286 PolarHBondContact O-N 3.36Å; K286-N290 VanDerWaalsContact O-CG 3.29Å; K286-N290 PolarHBondContact O-N 3.31Å
287K85Confident78.3Confident134 Ų13494.6 Ų94.658%0.58353%0.534SS*.Hα-helixtrans-67.2-45.2175.1-173.2-179.2175.4-171.90111.3K283 G284 F285 M289 N290 D291K283-K287 WeakPolarHBondContact O-CB 3.17Å; K283-K287 PolarHBondContact O-N 2.81Å; G284-K287 PolarHBondContact O-N 3.29Å; F285-K287 VanDerWaalsContact C-N 3.28Å; F285-K287 PolarHBondContact O-N 3.29Å; K287-M289 PolarHBondContact O-N 3.48Å; K287-N290 PolarHBondContact O-N 2.86Å; K287-D291 VanDerWaalsContact CE-OD2 3.3Å; K287-D291 WeakPolarHBondContact CE-OD2 3.43Å; K287-D291 WeakPolarHBondContact O-CB 3.34Å; K287-D291 PolarHBondContact O-N 3.25Å
288A81.2Confident77.7Confident48 Ų4897 Ų9740%0.39754%0.54SS..Hα-helixtrans-59.1-46.5177.900000112.1G284 F285 N290 D291 D292G284-A288 PolarHBondContact O-N 3.35Å; F285-A288 PolarHBondContact O-N 3.18Å; A288-N290 VanDerWaalsContact C-N 3.33Å; A288-N290 PolarHBondContact O-N 3.27Å; A288-D291 PolarHBondContact O-N 3.43Å; A288-D292 WeakPolarHBondContact O-CB 3.1Å; A288-D292 PolarHBondContact O-N 2.82Å
289M78.9Confident77Confident106 Ų10693.3 Ų93.352%0.52253%0.528SS..Hα-helixtrans-58.3-43.1174.5-88.2-173.568.700112.9F285 K287 D293F285-M289 HydrophobicContact CD1-SD 4.34Å; F285-M289 HydrophobicContact CE1-CG 4.2Å; F285-M289 HydrophobicContact CE1-SD 3.74Å; F285-M289 PolarHBondContact O-N 3.25Å; K287-M289 PolarHBondContact O-N 3.48Å; M289-D293 PolarHBondContact O-N 3.24Å
290N83.8Confident76.1Confident87 Ų8793.9 Ų93.947%0.46553%0.529SS..Hα-helixtrans-71.7-35.6-179.5-73.8-6.2000112.8K286 K287 A288 D293 A294K286-N290 VanDerWaalsContact O-CG 3.29Å; K286-N290 PolarHBondContact O-N 3.31Å; K287-N290 PolarHBondContact O-N 2.86Å; A288-N290 VanDerWaalsContact C-N 3.33Å; A288-N290 PolarHBondContact O-N 3.27Å; N290-D293 PolarHBondContact O-N 3.3Å; N290-A294 WeakPolarHBondContact O-CB 3.42Å; N290-A294 PolarHBondContact O-N 3.2Å
291D79.6Confident75.3Confident87 Ų8795.8 Ų95.847%0.46553%0.531SS..Hα-helixtrans-69.7-36.3177-73.7-14.6000110.3K287 A288 A294 A295K287-D291 VanDerWaalsContact CE-OD2 3.3Å; K287-D291 WeakPolarHBondContact CE-OD2 3.43Å; K287-D291 WeakPolarHBondContact O-CB 3.34Å; K287-D291 PolarHBondContact O-N 3.25Å; A288-D291 PolarHBondContact O-N 3.43Å; D291-A294 PolarHBondContact O-N 3.45Å; D291-A295 WeakPolarHBondContact O-CB 3.41Å; D291-A295 PolarHBondContact O-N 3.15Å
292D70.6Confident74.4Confident116 Ų11697.3 Ų97.362%0.6253%0.534SS*.Hα-helixtrans-65.2-42.8172-78.1-18000111.8A288 A294 A295 A296A288-D292 WeakPolarHBondContact O-CB 3.1Å; A288-D292 PolarHBondContact O-N 2.82Å; D292-A294 VanDerWaalsContact C-N 3.31Å; D292-A294 PolarHBondContact O-N 2.93Å; D292-A295 PolarHBondContact O-N 3.22Å; D292-A296 WeakPolarHBondContact O-CB 3.48Å; D292-A296 PolarHBondContact O-N 3.07Å
293D68.9Low73.6Confident95 Ų9597.4 Ų97.451%0.50854%0.536SS..Hα-helixtrans-62.5-37.4174-81.5-20.3000112.2M289 N290 K297M289-D293 PolarHBondContact O-N 3.24Å; N290-D293 PolarHBondContact O-N 3.3Å; D293-K297 WeakPolarHBondContact O-CB 3.41Å; D293-K297 WeakPolarHBondContact O-CG 3.05Å; D293-K297 PolarHBondContact O-N 3.46Å
294A71Confident72.5Confident52 Ų5294 Ų9443%0.4353%0.525SS..Hα-helixtrans-72.4-37.2177.100000112.2N290 D291 D292 K298N290-A294 WeakPolarHBondContact O-CB 3.42Å; N290-A294 PolarHBondContact O-N 3.2Å; D291-A294 PolarHBondContact O-N 3.45Å; D292-A294 VanDerWaalsContact C-N 3.31Å; D292-A294 PolarHBondContact O-N 2.93Å; A294-K298 PolarHBondContact O-N 2.98Å
295A68.7Low71.4Confident60 Ų6098.3 Ų98.350%0.49653%0.534SS..Hα-helixtrans-67.8-41.7174.300000111.5D291 D292 K297 K298 G299D291-A295 WeakPolarHBondContact O-CB 3.41Å; D291-A295 PolarHBondContact O-N 3.15Å; D292-A295 PolarHBondContact O-N 3.22Å; A295-K297 PolarHBondContact O-N 3.48Å; A295-K298 PolarHBondContact O-N 2.97Å; A295-G299 PolarHBondContact O-N 3.07Å
296A67.5Low70.2Confident64 Ų6494 Ų9453%0.52953%0.525SS..Hα-helixtrans-62.5-41.2174.700000111.8D292 G299 A300D292-A296 WeakPolarHBondContact O-CB 3.48Å; D292-A296 PolarHBondContact O-N 3.07Å; A296-G299 PolarHBondContact O-N 2.92Å; A296-A300 WeakPolarHBondContact O-CB 3.33Å; A296-A300 PolarHBondContact O-N 2.82Å
297K68.6Low69Low155 Ų15593.7 Ų93.767%0.67453%0.526SS*.Hα-helixtrans-67.1-39.9174.4-78.2180-179.8176.60113.1D293 A295 A300 D301D293-K297 WeakPolarHBondContact O-CB 3.41Å; D293-K297 WeakPolarHBondContact O-CG 3.05Å; D293-K297 PolarHBondContact O-N 3.46Å; A295-K297 PolarHBondContact O-N 3.48Å; K297-A300 PolarHBondContact O-N 3.31Å; K297-D301 PolarHBondContact O-N 3.32Å
298K66.2Low67.7Low157 Ų15795.5 Ų95.568%0.68353%0.534SS*.Hα-helixtrans-67.5-37.4174.8-84.1-173.2175.5-178.80112.6A294 A295 D301 V302A294-K298 PolarHBondContact O-N 2.98Å; A295-K298 PolarHBondContact O-N 2.97Å; K298-D301 PolarHBondContact O-N 3.46Å; K298-V302 WeakPolarHBondContact O-CB 3.42Å; K298-V302 WeakPolarHBondContact O-CG2 3.38Å; K298-V302 PolarHBondContact O-N 3.49Å
299G63.4Low66.6Low34 Ų34100.2 Ų100.235%0.35155%0.551SS.*Hα-helixtrans-61.4-46.4173.300000111.5A295 A296 D301 V302 D303A295-G299 PolarHBondContact O-N 3.07Å; A296-G299 PolarHBondContact O-N 2.92Å; G299-D301 PolarHBondContact O-N 3.33Å; G299-V302 PolarHBondContact O-N 2.88Å; G299-D303 PolarHBondContact O-N 3.12Å
300A63.7Low65.5Low51 Ų5199.2 Ų99.242%0.42156%0.555SS.*Hα-helixtrans-63.4-40.2177.300000113.1A296 K297 L304A296-A300 WeakPolarHBondContact O-CB 3.33Å; A296-A300 PolarHBondContact O-N 2.82Å; K297-A300 PolarHBondContact O-N 3.31Å; A300-L304 VanDerWaalsContact O-CB 3.3Å; A300-L304 WeakPolarHBondContact O-CB 3.36Å; A300-L304 WeakPolarHBondContact O-CD1 3.39Å; A300-L304 WeakPolarHBondContact O-CG 3.39Å; A300-L304 PolarHBondContact O-N 3.22Å
301D64.7Low64.1Low102 Ų102103 Ų10355%0.54557%0.569SS.*Hα-helixtrans-70.4-31176.7-95.4-20.4000112.9K297 K298 G299 Q305K297-D301 PolarHBondContact O-N 3.32Å; K298-D301 PolarHBondContact O-N 3.46Å; G299-D301 PolarHBondContact O-N 3.33Å; D301-Q305 WeakPolarHBondContact O-CB 3.45Å; D301-Q305 WeakPolarHBondContact O-CG 3.27Å; D301-Q305 PolarHBondContact O-N 3.25Å; D301-Q305 VanDerWaalsContact O-N 3.09Å
302V63.3Low62.7Low94 Ų94108 Ų10857%0.5759%0.587SS**Hα-helixtrans-73.1-41.4175.7173.50000110.8K298 G299 Q305 A306K298-V302 WeakPolarHBondContact O-CB 3.42Å; K298-V302 WeakPolarHBondContact O-CG2 3.38Å; K298-V302 PolarHBondContact O-N 3.49Å; G299-V302 PolarHBondContact O-N 2.88Å; V302-Q305 PolarHBondContact O-N 3.25Å; V302-A306 WeakPolarHBondContact O-CB 3.22Å; V302-A306 PolarHBondContact O-N 3.43Å
303D63.8Low61.5Low112 Ų112115.4 Ų115.460%0.59962%0.618SS**Hα-helixtrans-66.6-38.3175.1-78.8-23000111.7G299 Q305 A306 E307G299-D303 PolarHBondContact O-N 3.12Å; D303-Q305 VanDerWaalsContact C-N 3.31Å; D303-Q305 PolarHBondContact O-N 3.24Å; D303-A306 PolarHBondContact O-N 3.35Å; D303-E307 PolarHBondContact O-N 2.96Å
304L61.9Low61.2Low94 Ų94116.5 Ų116.549%0.49262%0.623SS.*Hα-helixtrans-67.8-27.5175-76166000113.5A300 K308A300-L304 VanDerWaalsContact O-CB 3.3Å; A300-L304 WeakPolarHBondContact O-CB 3.36Å; A300-L304 WeakPolarHBondContact O-CD1 3.39Å; A300-L304 WeakPolarHBondContact O-CG 3.39Å; A300-L304 PolarHBondContact O-N 3.22Å; L304-K308 WeakPolarHBondContact O-CG 3.45Å
305Q60.6Low60.6Low132 Ų132119.8 Ų119.862%0.61763%0.634SS**Hα-helixtrans-82.5-33.1172.9-74.9-174.612.200112.4D301 V302 D303 K308 L309D301-Q305 WeakPolarHBondContact O-CB 3.45Å; D301-Q305 WeakPolarHBondContact O-CG 3.27Å; D301-Q305 PolarHBondContact O-N 3.25Å; D301-Q305 VanDerWaalsContact O-N 3.09Å; V302-Q305 PolarHBondContact O-N 3.25Å; D303-Q305 VanDerWaalsContact C-N 3.31Å; D303-Q305 PolarHBondContact O-N 3.24Å; Q305-K308 PolarHBondContact O-N 2.87Å; Q305-L309 PolarHBondContact O-N 3.32Å
306A58.1Low60.2Low55 Ų55123.2 Ų123.246%0.45564%0.641SS.*Hα-helixtrans-68.2-41.4175.300000112V302 D303 K308 L309 S310V302-A306 WeakPolarHBondContact O-CB 3.22Å; V302-A306 PolarHBondContact O-N 3.43Å; D303-A306 PolarHBondContact O-N 3.35Å; A306-K308 VanDerWaalsContact C-N 3.32Å; A306-K308 PolarHBondContact O-N 3.25Å; A306-L309 PolarHBondContact O-N 2.78Å; A306-S310 PolarHBondContact O-N 2.79Å
307E58.6Low59.8Low133 Ų133126.6 Ų126.662%0.62165%0.648SS**Hα-helixtrans-64.8-35.3174.7-89.7-172.4151.700112.3D303 L309 S310D303-E307 PolarHBondContact O-N 2.96Å; E307-L309 VanDerWaalsContact C-N 3.31Å; E307-L309 PolarHBondContact O-N 3.23Å; E307-S310 PolarHBondContact O-N 3.15Å; E307-S310 PolarHBondContact O-OG 3.29Å
308K59.3Low59.2Low172 Ų172124.9 Ų124.975%0.74865%0.646SS**Hα-helixtrans-72.9-19.4177.4-81.5-178178.6175.20114.4L304 Q305 A306L304-K308 WeakPolarHBondContact O-CG 3.45Å; Q305-K308 PolarHBondContact O-N 2.87Å; A306-K308 VanDerWaalsContact C-N 3.32Å; A306-K308 PolarHBondContact O-N 3.25Å
309L58Low58.7Low146 Ų146122.7 Ų122.776%0.76464%0.644SS**Hα-helixtrans-92.1-17.9177.4-78159.5000113.1Q305 A306 E307Q305-L309 PolarHBondContact O-N 3.32Å; A306-L309 PolarHBondContact O-N 2.78Å; E307-L309 VanDerWaalsContact C-N 3.31Å; E307-L309 PolarHBondContact O-N 3.23Å
310S56.1Low58.4Low85 Ų85129.1 Ų129.159%0.59467%0.665SS**Hα-helixtrans-86.3-8179.6770000115.4A306 E307A306-S310 PolarHBondContact O-N 2.79Å; E307-S310 PolarHBondContact O-N 3.15Å; E307-S310 PolarHBondContact O-OG 3.29Å
311H54.6Low58Low167 Ų167135.1 Ų135.177%0.77368%0.683SS**SBendtrans-10430.4-177.7-82.9-60.5000115.1
312K48.5Very low57.4Low192 Ų192137.8 Ų137.884%0.83570%0.695SS**  trans-130.771.9172.5-91.3-172.8171.3-177.70111.4
313E46.6Very low56.9Low272 Ų272141.8 Ų141.8100%1.27171%0.706SS**  trans-146.30148-74.5-165.7145.100108.9

Retrieved 313 of 313 residues in 148.7 ms (Link to these results)

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