G4VQT7_SCHMA Loading...

carbonyl reductase (NADPH)

AlphaFold DB , UniProt , Accession G4VQT7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 277 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
1M96Very high98.3Very high113 Ų11333.1 Ų33.156%0.55717%0.167SC*.  0132.70-165.453.778.600109G29 E30 W31 D32 Y81M1-G29 WeakPolarHBondContact CE-O 3.41Å; M1-E30 CarbonylContact C-O 3.6Å; M1-W31 PolarHBondContact SD-N 3.36Å; M1-W31 VanDerWaalsContact SD-N 3.45Å; M1-D32 HydrophobicContact CG-CB 4.17Å; M1-D32 VanDerWaalsContact CG-CG 3.47Å; M1-D32 VanDerWaalsContact CG-OD2 3.3Å; M1-D32 WeakPolarHBondContact CG-OD2 3.39Å; M1-D32 HydrophobicContact SD-CB 4.46Å; M1-Y81 HydrophobicContact CG-CD1 4.47Å; M1-Y81 HydrophobicContact CG-CE1 3.96Å
2K98.1Very high98.3Very high81 Ų8132.5 Ų32.535%0.35218%0.175SC..EExtended strand (participates in β ladder)trans-99.9147.5173.8-69.8175.4-176.8157.50109.4E30 W31 D32 N86K2-E30 PolarHBondContact N-O 2.91Å; K2-E30 IonicContact NZ-OE2 3.7Å; K2-W31 HydrophobicContact CB-CD2 3.6Å; K2-W31 HydrophobicContact CB-CE3 3.59Å; K2-W31 HydrophobicContact CB-CG 4.15Å; K2-W31 HydrophobicContact CB-CH2 4.25Å; K2-W31 HydrophobicContact CB-CZ2 4.26Å; K2-W31 HydrophobicContact CB-CZ3 3.93Å; K2-W31 HydrophobicContact CD-CD2 4.05Å; K2-W31 VanDerWaalsContact CD-CE2 3.44Å; K2-W31 HydrophobicContact CD-CH2 3.98Å; K2-W31 HydrophobicContact CD-CZ2 3.42Å; K2-W31 VanDerWaalsContact CD-CZ2 3.42Å; K2-W31 HydrophobicContact CD-CZ3 4.49Å; K2-W31 HydrophobicContact CG-CD2 4.48Å; K2-W31 HydrophobicContact CG-CZ2 4.47Å; K2-W31 WeakPolarHBondContact O-CA 3.39Å; K2-D32 PolarHBondContact O-N 3.41Å; K2-N86 WeakPolarHBondContact CA-OD1 3.3Å; K2-N86 HydrophobicContact CB-CB 4.38Å; K2-N86 VanDerWaalsContact CB-OD1 3.25Å; K2-N86 WeakPolarHBondContact CB-OD1 3.03Å
3L98.7Very high98.3Very high0 Ų031.8 Ų31.80%017%0.171CC..EExtended strand (participates in β ladder)trans-113.8128.8-177.2173.564.1000111.1Y34 V77 Y81 I85 N86 I87L3-Y34 HydrophobicContact CD1-CD2 3.35Å; L3-Y34 HydrophobicContact CD1-CE2 3.75Å; L3-Y34 HydrophobicContact CD1-CG 4.33Å; L3-V77 HydrophobicContact CD2-CB 4.3Å; L3-V77 HydrophobicContact CD2-CG1 3.67Å; L3-V77 HydrophobicContact CD2-CG2 3.75Å; L3-Y81 HydrophobicContact CB-CD1 3.73Å; L3-Y81 HydrophobicContact CB-CD2 4.44Å; L3-Y81 HydrophobicContact CB-CE1 4.12Å; L3-Y81 HydrophobicContact CB-CG 3.92Å; L3-Y81 HydrophobicContact CD1-CD2 4.33Å; L3-Y81 HydrophobicContact CD1-CE1 4.25Å; L3-Y81 HydrophobicContact CD1-CE2 4.03Å; L3-Y81 HydrophobicContact CD2-CD2 3.76Å; L3-Y81 HydrophobicContact CD2-CE2 4.24Å; L3-Y81 HydrophobicContact CD2-CG 3.92Å; L3-Y81 HydrophobicContact CG-CD1 4.48Å; L3-Y81 HydrophobicContact CG-CD2 4.4Å; L3-Y81 HydrophobicContact CG-CG 4.36Å; L3-I85 HydrophobicContact CD2-CB 4.4Å; L3-I85 HydrophobicContact CD2-CG1 3.74Å; L3-N86 PolarHBondContact N-OD1 3.44Å; L3-N86 WeakPolarHBondContact O-CA 3.22Å; L3-N86 WeakPolarHBondContact O-CB 3.36Å; L3-N86 PolarHBondContact O-N 3.25Å; L3-I87 PolarHBondContact O-N 3.24Å
4A98.9Very high98.3Very high0 Ų029.6 Ų29.60%016%0.159CC..EExtended strand (participates in β ladder)trans-119.2140.116200000110.2L21 W31 D32 I33 Y34 I87A4-L21 HydrophobicContact CB-CD1 4.44Å; A4-W31 HydrophobicContact CB-CE3 4.34Å; A4-W31 HydrophobicContact CB-CZ3 4.37Å; A4-D32 PolarHBondContact N-O 2.98Å; A4-I33 HydrophobicContact CB-CD1 3.59Å; A4-Y34 PolarHBondContact O-N 3.07Å; A4-I87 CarbonylContact C-O 3.58Å; A4-I87 VanDerWaalsContact CA-O 3.31Å; A4-I87 WeakPolarHBondContact CA-O 3.4Å; A4-I87 HydrophobicContact CB-CB 3.71Å; A4-I87 HydrophobicContact CB-CD1 4.4Å; A4-I87 HydrophobicContact CB-CG2 4.15Å
5F98.9Very high98.3Very high0 Ų029.7 Ų29.70%016%0.156CC..EExtended strand (participates in β ladder)trans-135.3152.1167.275.5-99000112T7 Y34 T36 F73 I85 I87 A88 V89 F122 F126F5-T7 HydrophobicContact CD2-CG2 4.05Å; F5-T7 HydrophobicContact CE2-CG2 3.72Å; F5-Y34 WeakPolarHBondContact CA-O 3.46Å; F5-T36 HydrophobicContact CB-CG2 4.29Å; F5-F73 HydrophobicContact CB-CZ 3.9Å; F5-F73 AromaticContact CD1-CE1 3.95Å; F5-F73 HydrophobicContact CD1-CE1 3.95Å; F5-F73 AromaticContact CD1-CZ 3.75Å; F5-F73 HydrophobicContact CD1-CZ 3.75Å; F5-F73 HydrophobicContact CD2-CE1 4.4Å; F5-F73 HydrophobicContact CD2-CZ 4.25Å; F5-F73 HydrophobicContact CE1-CE1 4.03Å; F5-F73 HydrophobicContact CE1-CZ 4.31Å; F5-F73 HydrophobicContact CG-CE1 4.13Å; F5-F73 AromaticContact CG-CZ 3.7Å; F5-F73 HydrophobicContact CG-CZ 3.7Å; F5-F73 HydrophobicContact CZ-CE1 4.34Å; F5-I85 HydrophobicContact CD1-CG2 3.92Å; F5-I85 HydrophobicContact CE1-CD1 3.99Å; F5-I85 HydrophobicContact CE1-CG1 4.25Å; F5-I85 HydrophobicContact CE1-CG2 3.7Å; F5-I87 PolarHBondContact N-O 3.49Å; F5-A88 HydrophobicContact CD1-CB 4.48Å; F5-A88 HydrophobicContact CE1-CB 3.69Å; F5-A88 HydrophobicContact CE2-CB 4.23Å; F5-A88 HydrophobicContact CZ-CB 3.53Å; F5-V89 PolarHBondContact O-N 3.22Å; F5-F122 AromaticContact CE2-CE1 3.65Å; F5-F122 HydrophobicContact CE2-CE1 3.65Å; F5-F122 HydrophobicContact CE2-CZ 4.12Å; F5-F122 AromaticContact CZ-CE1 3.79Å; F5-F122 HydrophobicContact CZ-CE1 3.79Å; F5-F122 HydrophobicContact CZ-CZ 4.01Å; F5-F126 HydrophobicContact CZ-CD1 4.16Å; F5-F126 HydrophobicContact CZ-CE1 4.27Å; F5-F126 HydrophobicContact CZ-CG 4.43Å
6V99Very high98.3Very high0 Ų028.5 Ų28.50%015%0.151CC..EExtended strand (participates in β ladder)trans-128121.6175.4-173.90000109.4S9 I17 V18 L21 Y34 T36 V89 N91V6-S9 WeakPolarHBondContact O-CB 3.41Å; V6-S9 PolarHBondContact O-OG 3.24Å; V6-I17 HydrophobicContact CG1-CB 4.36Å; V6-I17 HydrophobicContact CG1-CG2 4.29Å; V6-I17 HydrophobicContact CG2-CB 4.47Å; V6-I17 HydrophobicContact CG2-CG2 3.79Å; V6-V18 HydrophobicContact CB-CG2 3.63Å; V6-V18 HydrophobicContact CG1-CG2 4.33Å; V6-V18 HydrophobicContact CG2-CG2 3.54Å; V6-L21 HydrophobicContact CG2-CD1 3.91Å; V6-Y34 PolarHBondContact N-O 3.24Å; V6-Y34 VanDerWaalsContact N-O 3.15Å; V6-T36 PolarHBondContact O-N 3.11Å; V6-T36 PolarHBondContact O-OG1 3.11Å; V6-V89 HydrophobicContact CB-CB 4.31Å; V6-V89 HydrophobicContact CG1-CB 4.05Å; V6-V89 HydrophobicContact CG1-CG1 4.13Å; V6-V89 HydrophobicContact CG2-CB 4.06Å; V6-V89 HydrophobicContact CG2-CG2 4.23Å; V6-N91 HydrophobicContact CG1-CB 3.99Å
7T98.9Very high98.4Very high1 Ų126.8 Ų26.81%0.00614%0.142CC..THydrogen-bonded Turntrans-75.2141177.470.50000112F5 S9 T36 L62 I64 V89 N91 A92 F122F5-T7 HydrophobicContact CD2-CG2 4.05Å; F5-T7 HydrophobicContact CE2-CG2 3.72Å; T7-S9 PolarHBondContact O-N 3.11Å; T7-T36 WeakPolarHBondContact CA-OG1 3.2Å; T7-L62 HydrophobicContact CG2-CD2 3.83Å; T7-I64 HydrophobicContact CG2-CG2 4.18Å; T7-V89 PolarHBondContact N-O 2.85Å; T7-V89 PolarHBondContact OG1-O 2.95Å; T7-N91 WeakPolarHBondContact O-CB 2.99Å; T7-N91 PolarHBondContact O-ND2 2.95Å; T7-N91 PolarHBondContact OG1-N 2.88Å; T7-A92 PolarHBondContact O-N 2.89Å; T7-A92 VanDerWaalsContact O-N 3.15Å; T7-A92 WeakPolarHBondContact OG1-CB 3.22Å; T7-A92 PolarHBondContact OG1-N 2.82Å; T7-F122 HydrophobicContact CG2-CD1 4.29Å; T7-F122 HydrophobicContact CG2-CE1 3.81Å
8G98.6Very high98.4Very high25 Ų2525.3 Ų25.326%0.25814%0.135SC..THydrogen-bonded Turntrans61.845.3176.600000112.9T36 N91G8-T36 PolarHBondContact N-O 3.14Å; G8-N91 PolarHBondContact O-ND2 2.96Å
9S98.7Very high98.4Very high0 Ų025.2 Ų25.20%013%0.133CC..  trans-106.311.9-168.246.90000114.8V6 T7 K11 G14 Y15 L35 T36V6-S9 WeakPolarHBondContact O-CB 3.41Å; V6-S9 PolarHBondContact O-OG 3.24Å; T7-S9 PolarHBondContact O-N 3.11Å; S9-K11 PolarHBondContact O-N 3.22Å; S9-G14 WeakPolarHBondContact CB-O 3.46Å; S9-Y15 VanDerWaalsContact O-CA 3.22Å; S9-Y15 WeakPolarHBondContact O-CA 3.38Å; S9-Y15 WeakPolarHBondContact O-CB 3.42Å; S9-Y15 PolarHBondContact O-N 3.31Å; S9-L35 WeakPolarHBondContact O-CD1 3.33Å; S9-L35 WeakPolarHBondContact OG-CA 3.48Å; S9-L35 WeakPolarHBondContact OG-CG 3.4Å; S9-T36 PolarHBondContact N-O 3.12Å; S9-T36 PolarHBondContact OG-N 3.32Å; S9-T36 PolarHBondContact OG-O 2.81Å
10N98.3Very high98.4Very high33 Ų3325.6 Ų25.618%0.17613%0.134CC..SBendtrans-71-13.8174.468.7-71.1000114.1L35 A37 L42 A46N10-L35 HydrophobicContact CB-CD2 4.41Å; N10-A37 HydrophobicContact CB-CB 3.78Å; N10-L42 HydrophobicContact CB-CB 4.38Å; N10-A46 HydrophobicContact CB-CB 4.14Å; N10-A46 WeakPolarHBondContact O-CB 3.39Å
11K97.6Very high98.4Very high111 Ų11124.4 Ų24.448%0.48313%0.127SC..SBendtrans-159.3173.4178.165.1-178.9-179179.70112.5S9 Y15 D232S9-K11 PolarHBondContact O-N 3.22Å; K11-Y15 PolarHBondContact O-N 2.65Å; K11-D232 WeakPolarHBondContact CE-OD2 3.13Å; K11-D232 IonicContact NZ-OD2 2.78Å; K11-D232 PolarHBondContact NZ-OD2 3.04Å
12G97.4Very high98.6Very high26 Ų2619.2 Ų19.227%0.26810%0.102SC..Hα-helixtrans61.4-147174.100000112.6G14 Y15 S16G12-G14 VanDerWaalsContact C-N 3.29Å; G12-G14 PolarHBondContact O-N 3.13Å; G12-Y15 WeakPolarHBondContact O-CB 3.32Å; G12-Y15 PolarHBondContact O-N 2.86Å; G12-Y15 VanDerWaalsContact O-N 3.17Å; G12-S16 PolarHBondContact O-N 3.18Å
13I98.3Very high98.6Very high24 Ų2420.6 Ų20.612%0.12311%0.11CC..Hα-helixtrans-57.7-41.6-177-63.6153.9000111.4Y15 S16 I17 P226 C229 T231I13-Y15 VanDerWaalsContact C-N 3.3Å; I13-Y15 PolarHBondContact O-N 2.94Å; I13-S16 PolarHBondContact O-N 3.49Å; I13-S16 VanDerWaalsContact O-N 3.15Å; I13-I17 HydrophobicContact CG2-CD1 3.69Å; I13-I17 HydrophobicContact CG2-CG1 4.12Å; I13-I17 VanDerWaalsContact O-CG1 3.28Å; I13-I17 WeakPolarHBondContact O-CG1 3.49Å; I13-I17 PolarHBondContact O-N 2.78Å; I13-P226 HydrophobicContact CD1-CB 3.74Å; I13-P226 HydrophobicContact CD1-CG 3.62Å; I13-P226 HydrophobicContact CG1-CB 4.41Å; I13-P226 HydrophobicContact CG2-CB 4.28Å; I13-C229 HydrophobicContact CD1-CB 4Å; I13-C229 HydrophobicContact CG1-CB 4.12Å; I13-T231 HydrophobicContact CG1-CG2 4.33Å
14G98.7Very high98.5Very high0 Ų026.4 Ų26.40%014%0.136CC..Hα-helixtrans-59.4-38.4179.600000113.5S9 G12 I17 V18 N91S9-G14 WeakPolarHBondContact CB-O 3.46Å; G12-G14 VanDerWaalsContact C-N 3.29Å; G12-G14 PolarHBondContact O-N 3.13Å; G14-I17 PolarHBondContact O-N 3.14Å; G14-V18 WeakPolarHBondContact O-CG2 3.5Å; G14-V18 PolarHBondContact O-N 2.99Å; G14-V18 VanDerWaalsContact O-N 3.12Å; G14-N91 VanDerWaalsContact CA-ND2 3.31Å; G14-N91 WeakPolarHBondContact CA-ND2 3.25Å; G14-N91 PolarHBondContact N-OD1 3.01Å
15Y98.8Very high98.5Very high31 Ų3128.2 Ų28.212%0.12214%0.143CC..Hα-helixtrans-63.7-47.7174.6178.7-88.9000111.4S9 K11 G12 I13 I17 V18 E19 L35 A46 K49 L50S9-Y15 VanDerWaalsContact O-CA 3.22Å; S9-Y15 WeakPolarHBondContact O-CA 3.38Å; S9-Y15 WeakPolarHBondContact O-CB 3.42Å; S9-Y15 PolarHBondContact O-N 3.31Å; K11-Y15 PolarHBondContact O-N 2.65Å; G12-Y15 WeakPolarHBondContact O-CB 3.32Å; G12-Y15 PolarHBondContact O-N 2.86Å; G12-Y15 VanDerWaalsContact O-N 3.17Å; I13-Y15 VanDerWaalsContact C-N 3.3Å; I13-Y15 PolarHBondContact O-N 2.94Å; Y15-I17 VanDerWaalsContact C-N 3.29Å; Y15-I17 PolarHBondContact O-N 2.72Å; Y15-V18 WeakPolarHBondContact O-CB 3.31Å; Y15-V18 PolarHBondContact O-N 3.48Å; Y15-E19 PolarHBondContact O-N 3.13Å; Y15-L35 HydrophobicContact CD2-CD1 4.29Å; Y15-A46 HydrophobicContact CD2-CB 3.99Å; Y15-A46 HydrophobicContact CE2-CB 4.01Å; Y15-K49 HydrophobicContact CE2-CB 4.48Å; Y15-K49 WeakPolarHBondContact OH-CB 3.23Å; Y15-L50 HydrophobicContact CD2-CD1 4.33Å; Y15-L50 HydrophobicContact CE1-CD2 3.96Å; Y15-L50 HydrophobicContact CE2-CD1 3.83Å; Y15-L50 HydrophobicContact CE2-CD2 3.99Å; Y15-L50 HydrophobicContact CE2-CG 3.67Å; Y15-L50 VanDerWaalsContact CZ-CD2 3.49Å; Y15-L50 VanDerWaalsContact OH-CD2 3.29Å; Y15-L50 WeakPolarHBondContact OH-CD2 3.16Å; Y15-L50 WeakPolarHBondContact OH-CG 3.21Å
16S98.6Very high98.1Very high11 Ų1129.4 Ų29.48%0.07716%0.155CC..Hα-helixtrans-64.7-31.7178.1-64.80000112.9G12 I13 E19 K20G12-S16 PolarHBondContact O-N 3.18Å; I13-S16 PolarHBondContact O-N 3.49Å; I13-S16 VanDerWaalsContact O-N 3.15Å; S16-E19 PolarHBondContact O-N 2.8Å; S16-K20 WeakPolarHBondContact O-CG 3.11Å; S16-K20 PolarHBondContact O-N 3.3Å
17I98.9Very high97.7Very high0 Ų034.3 Ų34.30%020%0.196CC..Hα-helixtrans-65.3-46.3172.6-65.7165.8000110.5V6 I13 G14 Y15 E19 K20 L21 V89 A246 P249V6-I17 HydrophobicContact CG1-CB 4.36Å; V6-I17 HydrophobicContact CG1-CG2 4.29Å; V6-I17 HydrophobicContact CG2-CB 4.47Å; V6-I17 HydrophobicContact CG2-CG2 3.79Å; I13-I17 HydrophobicContact CG2-CD1 3.69Å; I13-I17 HydrophobicContact CG2-CG1 4.12Å; I13-I17 VanDerWaalsContact O-CG1 3.28Å; I13-I17 WeakPolarHBondContact O-CG1 3.49Å; I13-I17 PolarHBondContact O-N 2.78Å; G14-I17 PolarHBondContact O-N 3.14Å; Y15-I17 VanDerWaalsContact C-N 3.29Å; Y15-I17 PolarHBondContact O-N 2.72Å; I17-E19 VanDerWaalsContact C-N 3.3Å; I17-E19 PolarHBondContact O-N 3.09Å; I17-K20 PolarHBondContact O-N 2.71Å; I17-L21 HydrophobicContact CG2-CD1 3.96Å; I17-L21 HydrophobicContact CG2-CG 4.4Å; I17-L21 WeakPolarHBondContact O-CB 3.42Å; I17-L21 VanDerWaalsContact O-CG 3.31Å; I17-L21 WeakPolarHBondContact O-CG 3.42Å; I17-L21 PolarHBondContact O-N 3.31Å; I17-V89 HydrophobicContact CD1-CG1 4.07Å; I17-V89 HydrophobicContact CG2-CG1 4.38Å; I17-V89 HydrophobicContact CG2-CG2 4.25Å; I17-A246 HydrophobicContact CG1-CB 3.65Å; I17-P249 HydrophobicContact CD1-CB 3.49Å; I17-P249 VanDerWaalsContact CD1-CB 3.49Å; I17-P249 HydrophobicContact CD1-CG 3.92Å; I17-P249 HydrophobicContact CG1-CB 3.97Å; I17-P249 HydrophobicContact CG1-CG 4.5Å
18V98.9Very high97.5Very high0 Ų037.4 Ų37.40%022%0.217CC..Hα-helixtrans-59.4-44.5176.3171.20000110.7V6 G14 Y15 L21 A22 I33 L35 L50 V57V6-V18 HydrophobicContact CB-CG2 3.63Å; V6-V18 HydrophobicContact CG1-CG2 4.33Å; V6-V18 HydrophobicContact CG2-CG2 3.54Å; G14-V18 WeakPolarHBondContact O-CG2 3.5Å; G14-V18 PolarHBondContact O-N 2.99Å; G14-V18 VanDerWaalsContact O-N 3.12Å; Y15-V18 WeakPolarHBondContact O-CB 3.31Å; Y15-V18 PolarHBondContact O-N 3.48Å; V18-L21 PolarHBondContact O-N 3.33Å; V18-A22 WeakPolarHBondContact O-CB 3.38Å; V18-A22 PolarHBondContact O-N 2.75Å; V18-I33 HydrophobicContact CG1-CG2 4.08Å; V18-L35 HydrophobicContact CG1-CB 4.21Å; V18-L35 HydrophobicContact CG2-CB 4.35Å; V18-L50 HydrophobicContact CB-CD1 4.48Å; V18-L50 HydrophobicContact CG1-CD1 3.72Å; V18-V57 HydrophobicContact CG1-CB 4.42Å; V18-V57 HydrophobicContact CG1-CG1 3.52Å; V18-V57 HydrophobicContact CG1-CG2 3.98Å
19E98.7Very high97.2Very high22 Ų2238.8 Ų38.810%0.10323%0.231CC..Hα-helixtrans-56.7-54.6177-178.1159.6-154.500111.6Y15 S16 I17 L21 A22 E23 L50 K53 L55Y15-E19 PolarHBondContact O-N 3.13Å; S16-E19 PolarHBondContact O-N 2.8Å; I17-E19 VanDerWaalsContact C-N 3.3Å; I17-E19 PolarHBondContact O-N 3.09Å; E19-L21 VanDerWaalsContact C-N 3.31Å; E19-L21 PolarHBondContact O-N 2.98Å; E19-A22 PolarHBondContact O-N 3.41Å; E19-A22 VanDerWaalsContact O-N 3.12Å; E19-E23 WeakPolarHBondContact O-CG 3.29Å; E19-E23 PolarHBondContact O-N 3.46Å; E19-L50 HydrophobicContact CB-CD2 3.76Å; E19-L50 HydrophobicContact CG-CD2 3.98Å; E19-K53 WeakPolarHBondContact OE1-CD 3.47Å; E19-K53 WeakPolarHBondContact OE1-CE 3.31Å; E19-K53 IonicContact OE1-NZ 2.8Å; E19-K53 PolarHBondContact OE1-NZ 3Å; E19-K53 IonicContact OE2-NZ 3.63Å; E19-K53 PolarHBondContact OE2-NZ 2.86Å; E19-K53 VanDerWaalsContact OE2-NZ 3.09Å; E19-L55 HydrophobicContact CG-CD1 3.86Å
20K98.7Very high97.1Very high34 Ų3443.8 Ų43.815%0.14826%0.255CS..Hα-helixtrans-60-38.6178.6-69.9-173.7-175.6-52.50112.8S16 I17 F24 D243 A246 F250S16-K20 WeakPolarHBondContact O-CG 3.11Å; S16-K20 PolarHBondContact O-N 3.3Å; I17-K20 PolarHBondContact O-N 2.71Å; K20-F24 WeakPolarHBondContact O-CB 3.41Å; K20-F24 PolarHBondContact O-N 3.47Å; K20-D243 VanDerWaalsContact CE-O 3.23Å; K20-D243 WeakPolarHBondContact CE-O 3.39Å; K20-D243 WeakPolarHBondContact CE-OD1 3.4Å; K20-D243 IonicContact NZ-OD1 2.65Å; K20-D243 PolarHBondContact NZ-OD1 2.92Å; K20-D243 IonicContact NZ-OD2 3.25Å; K20-D243 PolarHBondContact NZ-OD2 3.29Å; K20-A246 HydrophobicContact CD-CB 4.08Å; K20-F250 HydrophobicContact CB-CB 4.39Å; K20-F250 HydrophobicContact CB-CD2 3.6Å; K20-F250 HydrophobicContact CB-CE2 3.97Å; K20-F250 HydrophobicContact CB-CG 3.94Å; K20-F250 HydrophobicContact CD-CB 4.1Å; K20-F250 HydrophobicContact CD-CD1 4.37Å; K20-F250 HydrophobicContact CD-CG 4.12Å; K20-F250 WeakPolarHBondContact O-CE2 3.17Å
21L98.8Very high97.1Very high0 Ų043.5 Ų43.50%025%0.251CS..Hα-helixtrans-65.4-42175.9-73.4172.7000111.8A4 V6 I17 V18 E19 F24 Y25 I33 I87 F250 A253 T254A4-L21 HydrophobicContact CB-CD1 4.44Å; V6-L21 HydrophobicContact CG2-CD1 3.91Å; I17-L21 HydrophobicContact CG2-CD1 3.96Å; I17-L21 HydrophobicContact CG2-CG 4.4Å; I17-L21 WeakPolarHBondContact O-CB 3.42Å; I17-L21 VanDerWaalsContact O-CG 3.31Å; I17-L21 WeakPolarHBondContact O-CG 3.42Å; I17-L21 PolarHBondContact O-N 3.31Å; V18-L21 PolarHBondContact O-N 3.33Å; E19-L21 VanDerWaalsContact C-N 3.31Å; E19-L21 PolarHBondContact O-N 2.98Å; L21-F24 PolarHBondContact O-N 2.94Å; L21-Y25 HydrophobicContact CD2-CD2 4.18Å; L21-Y25 HydrophobicContact CD2-CE2 4.02Å; L21-Y25 WeakPolarHBondContact O-CB 3.22Å; L21-Y25 PolarHBondContact O-N 3.45Å; L21-I33 HydrophobicContact CB-CD1 4.33Å; L21-I33 HydrophobicContact CB-CG2 4.02Å; L21-I87 HydrophobicContact CD1-CG2 4.36Å; L21-I87 HydrophobicContact CD2-CD1 4.01Å; L21-F250 HydrophobicContact CD2-CD2 4.03Å; L21-F250 HydrophobicContact CD2-CE2 4.23Å; L21-F250 HydrophobicContact CG-CD2 4.33Å; L21-A253 HydrophobicContact CD2-CB 4.2Å; L21-T254 HydrophobicContact CD2-CG2 4.04Å
22A98.4Very high97.2Very high4 Ų438.9 Ų38.93%0.03323%0.232CC..Hα-helixtrans-68.4-39.8178.200000112V18 E19 F24 G26 I33 L55 V57V18-A22 WeakPolarHBondContact O-CB 3.38Å; V18-A22 PolarHBondContact O-N 2.75Å; E19-A22 PolarHBondContact O-N 3.41Å; E19-A22 VanDerWaalsContact O-N 3.12Å; A22-F24 VanDerWaalsContact C-N 3.35Å; A22-G26 WeakPolarHBondContact O-CA 3.49Å; A22-G26 PolarHBondContact O-N 3Å; A22-I33 HydrophobicContact CB-CG1 4.48Å; A22-L55 HydrophobicContact CB-CB 4.11Å; A22-L55 HydrophobicContact CB-CD1 4.35Å; A22-L55 HydrophobicContact CB-CD2 4.34Å; A22-V57 HydrophobicContact CB-CG2 3.56Å
23E98.1Very high97.2Very high111 Ų11137.7 Ų37.752%0.51922%0.219SC..Hα-helixtrans-62.1-42.8172.7-71.7174.8160.500111.7E19 L55E19-E23 WeakPolarHBondContact O-CG 3.29Å; E19-E23 PolarHBondContact O-N 3.46Å; E23-L55 HydrophobicContact CG-CD1 4.07Å; E23-L55 HydrophobicContact CG-CD2 3.77Å
24F97.8Very high97.3Very high121 Ų12137.4 Ų37.453%0.53122%0.217SC..Hα-helixtrans-75.6-39.3-175.4-171-100.3000113.5K20 L21 A22 F250 T254K20-F24 WeakPolarHBondContact O-CB 3.41Å; K20-F24 PolarHBondContact O-N 3.47Å; L21-F24 PolarHBondContact O-N 2.94Å; A22-F24 VanDerWaalsContact C-N 3.35Å; F24-F250 HydrophobicContact CB-CE2 3.76Å; F24-F250 HydrophobicContact CB-CZ 3.75Å; F24-F250 HydrophobicContact CD1-CZ 4.36Å; F24-F250 AromaticContact CD2-CZ 3.78Å; F24-F250 HydrophobicContact CD2-CZ 3.78Å; F24-F250 HydrophobicContact CE2-CZ 4.48Å; F24-F250 HydrophobicContact CG-CE2 4.06Å; F24-F250 AromaticContact CG-CZ 3.71Å; F24-F250 HydrophobicContact CG-CZ 3.71Å; F24-T254 HydrophobicContact CD1-CG2 4.07Å; F24-T254 HydrophobicContact CE1-CG2 4.22Å
25Y97.5Very high97.3Very high39 Ų3937.4 Ų37.415%0.15322%0.217CC..Hα-helixtrans-110.4-25.4-173.5-71.3-54.1000114.8L21 A27 S28 W31 I87 T254L21-Y25 HydrophobicContact CD2-CD2 4.18Å; L21-Y25 HydrophobicContact CD2-CE2 4.02Å; L21-Y25 WeakPolarHBondContact O-CB 3.22Å; L21-Y25 PolarHBondContact O-N 3.45Å; Y25-A27 VanDerWaalsContact C-N 3.29Å; Y25-A27 PolarHBondContact O-N 2.88Å; Y25-S28 PolarHBondContact O-N 3.12Å; Y25-S28 VanDerWaalsContact O-N 3.11Å; Y25-S28 PolarHBondContact O-OG 2.91Å; Y25-S28 VanDerWaalsContact O-OG 3.11Å; Y25-W31 AromaticContact CD1-CD1 3.8Å; Y25-W31 HydrophobicContact CD1-CD2 4.08Å; Y25-W31 AromaticContact CD1-CE2 3.46Å; Y25-W31 VanDerWaalsContact CD1-CE2 3.46Å; Y25-W31 HydrophobicContact CD1-CG 4.26Å; Y25-W31 AromaticContact CD1-CZ2 3.82Å; Y25-W31 HydrophobicContact CD1-CZ2 3.82Å; Y25-W31 AromaticContact CD1-NE1 3.28Å; Y25-W31 VanDerWaalsContact CD1-NE1 3.28Å; Y25-W31 HydrophobicContact CD2-CD2 4.11Å; Y25-W31 HydrophobicContact CD2-CE3 4.26Å; Y25-W31 HydrophobicContact CD2-CH2 4.47Å; Y25-W31 HydrophobicContact CD2-CZ2 4.32Å; Y25-W31 HydrophobicContact CD2-CZ3 4.45Å; Y25-W31 AromaticContact CE1-CE2 3.71Å; Y25-W31 HydrophobicContact CE1-CH2 4.32Å; Y25-W31 AromaticContact CE1-CZ2 3.54Å; Y25-W31 HydrophobicContact CE1-CZ2 3.54Å; Y25-W31 AromaticContact CE1-NE1 3.83Å; Y25-W31 HydrophobicContact CE2-CH2 4.08Å; Y25-W31 HydrophobicContact CE2-CZ2 4.07Å; Y25-W31 HydrophobicContact CE2-CZ3 4.36Å; Y25-W31 AromaticContact CG-CD1 3.88Å; Y25-W31 AromaticContact CG-CD2 3.81Å; Y25-W31 HydrophobicContact CG-CD2 3.81Å; Y25-W31 AromaticContact CG-CE2 3.69Å; Y25-W31 HydrophobicContact CG-CE3 4.42Å; Y25-W31 AromaticContact CG-CG 3.93Å; Y25-W31 HydrophobicContact CG-CG 3.93Å; Y25-W31 HydrophobicContact CG-CZ2 4.2Å; Y25-W31 AromaticContact CG-NE1 3.74Å; Y25-W31 AromaticContact CZ-CZ2 3.68Å; Y25-I87 HydrophobicContact CD2-CD1 4.36Å; Y25-I87 HydrophobicContact CE2-CD1 3.55Å; Y25-T254 HydrophobicContact CE2-CG2 3.79Å
26G91.2Very high97.3Very high24 Ų2435.9 Ų35.925%0.24721%0.211CC..G310 helixtrans-61.5-35.7-168.100000113.6A22 S28 G29A22-G26 WeakPolarHBondContact O-CA 3.49Å; A22-G26 PolarHBondContact O-N 3Å; G26-S28 PolarHBondContact O-N 2.56Å; G26-S28 VanDerWaalsContact O-N 3.12Å; G26-G29 PolarHBondContact O-N 3.09Å
27A91.7Very high97.3Very high104 Ų10435.4 Ų35.486%0.8621%0.207SC*.G310 helixtrans-64.1-18.1179.800000114.1Y25Y25-A27 VanDerWaalsContact C-N 3.29Å; Y25-A27 PolarHBondContact O-N 2.88Å
28S93.5Very high97.3Very high66 Ų6643.5 Ų43.546%0.46224%0.238SC..G310 helixtrans-78.5-19.5179.782.30000113.5Y25 G26 E30Y25-S28 PolarHBondContact O-N 3.12Å; Y25-S28 VanDerWaalsContact O-N 3.11Å; Y25-S28 PolarHBondContact O-OG 2.91Å; Y25-S28 VanDerWaalsContact O-OG 3.11Å; G26-S28 PolarHBondContact O-N 2.56Å; G26-S28 VanDerWaalsContact O-N 3.12Å; S28-E30 PolarHBondContact O-N 3.27Å; S28-E30 VanDerWaalsContact O-N 3.14Å; S28-E30 WeakPolarHBondContact OG-CB 3.35Å; S28-E30 PolarHBondContact OG-N 3.44Å; S28-E30 VanDerWaalsContact OG-N 3.11Å
29G93.5Very high97.2Very high54 Ų5446.3 Ų46.356%0.55725%0.253SS*.SBendtrans65.17-171.500000114.3M1 G26M1-G29 WeakPolarHBondContact CE-O 3.41Å; G26-G29 PolarHBondContact O-N 3.09Å
30E96.7Very high97.2Very high105 Ų10547.8 Ų47.849%0.49126%0.263SS..SBendtrans-95.1-6.2179-58.2-171.7160.200113.3M1 K2 S28M1-E30 CarbonylContact C-O 3.6Å; K2-E30 PolarHBondContact N-O 2.91Å; K2-E30 IonicContact NZ-OE2 3.7Å; S28-E30 PolarHBondContact O-N 3.27Å; S28-E30 VanDerWaalsContact O-N 3.14Å; S28-E30 WeakPolarHBondContact OG-CB 3.35Å; S28-E30 PolarHBondContact OG-N 3.44Å; S28-E30 VanDerWaalsContact OG-N 3.11Å
31W98.3Very high97.2Very high27 Ų2751.9 Ų51.910%0.10228%0.283CS..EExtended strand (participates in β ladder)trans-125.1133.6-171.4-70.585000112.6M1 K2 A4 Y25 I33 N86 I87M1-W31 PolarHBondContact SD-N 3.36Å; M1-W31 VanDerWaalsContact SD-N 3.45Å; K2-W31 HydrophobicContact CB-CD2 3.6Å; K2-W31 HydrophobicContact CB-CE3 3.59Å; K2-W31 HydrophobicContact CB-CG 4.15Å; K2-W31 HydrophobicContact CB-CH2 4.25Å; K2-W31 HydrophobicContact CB-CZ2 4.26Å; K2-W31 HydrophobicContact CB-CZ3 3.93Å; K2-W31 HydrophobicContact CD-CD2 4.05Å; K2-W31 VanDerWaalsContact CD-CE2 3.44Å; K2-W31 HydrophobicContact CD-CH2 3.98Å; K2-W31 HydrophobicContact CD-CZ2 3.42Å; K2-W31 VanDerWaalsContact CD-CZ2 3.42Å; K2-W31 HydrophobicContact CD-CZ3 4.49Å; K2-W31 HydrophobicContact CG-CD2 4.48Å; K2-W31 HydrophobicContact CG-CZ2 4.47Å; K2-W31 WeakPolarHBondContact O-CA 3.39Å; A4-W31 HydrophobicContact CB-CE3 4.34Å; A4-W31 HydrophobicContact CB-CZ3 4.37Å; Y25-W31 AromaticContact CD1-CD1 3.8Å; Y25-W31 HydrophobicContact CD1-CD2 4.08Å; Y25-W31 AromaticContact CD1-CE2 3.46Å; Y25-W31 VanDerWaalsContact CD1-CE2 3.46Å; Y25-W31 HydrophobicContact CD1-CG 4.26Å; Y25-W31 AromaticContact CD1-CZ2 3.82Å; Y25-W31 HydrophobicContact CD1-CZ2 3.82Å; Y25-W31 AromaticContact CD1-NE1 3.28Å; Y25-W31 VanDerWaalsContact CD1-NE1 3.28Å; Y25-W31 HydrophobicContact CD2-CD2 4.11Å; Y25-W31 HydrophobicContact CD2-CE3 4.26Å; Y25-W31 HydrophobicContact CD2-CH2 4.47Å; Y25-W31 HydrophobicContact CD2-CZ2 4.32Å; Y25-W31 HydrophobicContact CD2-CZ3 4.45Å; Y25-W31 AromaticContact CE1-CE2 3.71Å; Y25-W31 HydrophobicContact CE1-CH2 4.32Å; Y25-W31 AromaticContact CE1-CZ2 3.54Å; Y25-W31 HydrophobicContact CE1-CZ2 3.54Å; Y25-W31 AromaticContact CE1-NE1 3.83Å; Y25-W31 HydrophobicContact CE2-CH2 4.08Å; Y25-W31 HydrophobicContact CE2-CZ2 4.07Å; Y25-W31 HydrophobicContact CE2-CZ3 4.36Å; Y25-W31 AromaticContact CG-CD1 3.88Å; Y25-W31 AromaticContact CG-CD2 3.81Å; Y25-W31 HydrophobicContact CG-CD2 3.81Å; Y25-W31 AromaticContact CG-CE2 3.69Å; Y25-W31 HydrophobicContact CG-CE3 4.42Å; Y25-W31 AromaticContact CG-CG 3.93Å; Y25-W31 HydrophobicContact CG-CG 3.93Å; Y25-W31 HydrophobicContact CG-CZ2 4.2Å; Y25-W31 AromaticContact CG-NE1 3.74Å; Y25-W31 AromaticContact CZ-CZ2 3.68Å; W31-I33 HydrophobicContact CB-CD1 3.99Å; W31-I33 HydrophobicContact CE3-CD1 4.26Å; W31-N86 HydrophobicContact CH2-CB 3.9Å; W31-N86 HydrophobicContact CZ3-CB 3.73Å; W31-I87 HydrophobicContact CH2-CD1 3.75Å; W31-I87 HydrophobicContact CH2-CG1 4.13Å; W31-I87 HydrophobicContact CZ3-CD1 3.64Å; W31-I87 HydrophobicContact CZ3-CG1 3.93Å
32D98.4Very high97.2Very high14 Ų1455.6 Ų55.68%0.07530%0.302CS..EExtended strand (participates in β ladder)trans-103.2116164-72.1-21.6000109.2M1 K2 A4 Y34 K58 Y81M1-D32 HydrophobicContact CG-CB 4.17Å; M1-D32 VanDerWaalsContact CG-CG 3.47Å; M1-D32 VanDerWaalsContact CG-OD2 3.3Å; M1-D32 WeakPolarHBondContact CG-OD2 3.39Å; M1-D32 HydrophobicContact SD-CB 4.46Å; K2-D32 PolarHBondContact O-N 3.41Å; A4-D32 PolarHBondContact N-O 2.98Å; D32-Y34 HydrophobicContact CB-CD2 4.44Å; D32-Y34 HydrophobicContact CB-CE2 3.92Å; D32-K58 HydrophobicContact CB-CD 4.11Å; D32-K58 WeakPolarHBondContact OD1-CE 3.48Å; D32-K58 IonicContact OD1-NZ 3.78Å; D32-K58 PolarHBondContact OD1-NZ 3.19Å; D32-K58 IonicContact OD2-NZ 2.7Å; D32-K58 PolarHBondContact OD2-NZ 3.45Å; D32-Y81 HydrophobicContact CB-CE1 3.97Å; D32-Y81 WeakPolarHBondContact OD2-CE1 3.49Å; D32-Y81 PolarHBondContact OD2-OH 2.98Å
33I98.7Very high97.2Very high1 Ų155.4 Ų55.41%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-101.1115.8178.7-47.8-56.9000109A4 V18 L21 A22 W31 K58A4-I33 HydrophobicContact CB-CD1 3.59Å; V18-I33 HydrophobicContact CG1-CG2 4.08Å; L21-I33 HydrophobicContact CB-CD1 4.33Å; L21-I33 HydrophobicContact CB-CG2 4.02Å; A22-I33 HydrophobicContact CB-CG1 4.48Å; W31-I33 HydrophobicContact CB-CD1 3.99Å; W31-I33 HydrophobicContact CE3-CD1 4.26Å; I33-K58 PolarHBondContact O-N 3.45Å
34Y98.8Very high97.3Very high17 Ų1755.4 Ų55.47%0.06730%0.301CS..EExtended strand (participates in β ladder)trans-97.1116.7179.1-81.5-95.9000112.2L3 A4 F5 V6 D32 K58 H60 F76 Y81L3-Y34 HydrophobicContact CD1-CD2 3.35Å; L3-Y34 HydrophobicContact CD1-CE2 3.75Å; L3-Y34 HydrophobicContact CD1-CG 4.33Å; A4-Y34 PolarHBondContact O-N 3.07Å; F5-Y34 WeakPolarHBondContact CA-O 3.46Å; V6-Y34 PolarHBondContact N-O 3.24Å; V6-Y34 VanDerWaalsContact N-O 3.15Å; D32-Y34 HydrophobicContact CB-CD2 4.44Å; D32-Y34 HydrophobicContact CB-CE2 3.92Å; Y34-K58 WeakPolarHBondContact CA-O 3.39Å; Y34-K58 HydrophobicContact CD1-CB 3.88Å; Y34-K58 HydrophobicContact CD2-CB 4.24Å; Y34-K58 HydrophobicContact CE1-CB 3.55Å; Y34-K58 HydrophobicContact CE2-CB 3.93Å; Y34-K58 HydrophobicContact CE2-CD 3.91Å; Y34-K58 HydrophobicContact CE2-CG 4.44Å; Y34-K58 HydrophobicContact CG-CB 4.21Å; Y34-K58 VanDerWaalsContact OH-CD 3.32Å; Y34-K58 WeakPolarHBondContact OH-CD 3.44Å; Y34-H60 HydrophobicContact CD1-CB 3.74Å; Y34-H60 HydrophobicContact CE1-CB 4.06Å; Y34-F76 AromaticContact CE1-CE1 3.88Å; Y34-F76 HydrophobicContact CE1-CE1 3.88Å; Y34-F76 AromaticContact CE1-CZ 3.98Å; Y34-F76 HydrophobicContact CE1-CZ 3.98Å; Y34-F76 HydrophobicContact CE2-CE1 4.36Å; Y34-F76 AromaticContact CZ-CE1 3.75Å; Y34-F76 AromaticContact CZ-CZ 3.65Å; Y34-F76 WeakPolarHBondContact OH-CZ 3.23Å; Y34-Y81 HydrophobicContact CE2-CE2 4.24Å; Y34-Y81 AromaticContact CE2-CZ 3.86Å; Y34-Y81 WeakPolarHBondContact CE2-OH 3.35Å; Y34-Y81 PolarHBondContact OH-OH 2.98Å
35L98.9Very high97.3Very high0 Ų054.6 Ų54.60%030%0.299CS..EExtended strand (participates in β ladder)trans-75.1124.9154.5-169.3152.6000108.1S9 N10 Y15 V18 A37 A46 V47 L50 V57 K58 F59 H60S9-L35 WeakPolarHBondContact O-CD1 3.33Å; S9-L35 WeakPolarHBondContact OG-CA 3.48Å; S9-L35 WeakPolarHBondContact OG-CG 3.4Å; N10-L35 HydrophobicContact CB-CD2 4.41Å; Y15-L35 HydrophobicContact CD2-CD1 4.29Å; V18-L35 HydrophobicContact CG1-CB 4.21Å; V18-L35 HydrophobicContact CG2-CB 4.35Å; L35-A37 HydrophobicContact CD2-CB 4.45Å; L35-A46 HydrophobicContact CD1-CB 3.56Å; L35-A46 HydrophobicContact CD2-CB 4.27Å; L35-V47 HydrophobicContact CB-CG2 3.83Å; L35-V47 HydrophobicContact CD1-CG2 4.09Å; L35-V47 HydrophobicContact CD2-CG2 4.33Å; L35-V47 HydrophobicContact CG-CG2 4.3Å; L35-L50 HydrophobicContact CD1-CD1 3.97Å; L35-V57 HydrophobicContact CB-CG1 3.76Å; L35-K58 PolarHBondContact N-O 3Å; L35-F59 HydrophobicContact CD2-CD2 3.92Å; L35-F59 HydrophobicContact CD2-CE2 4.2Å; L35-F59 WeakPolarHBondContact O-CA 3.48Å; L35-F59 WeakPolarHBondContact O-CD2 3.31Å; L35-H60 PolarHBondContact O-N 3.01Å
36T98.9Very high97.4Very high0 Ų052.9 Ų52.90%029%0.292CS..EExtended strand (participates in β ladder)trans-122140.6174.479.90000111.9F5 V6 T7 G8 S9 H60 L62 F73F5-T36 HydrophobicContact CB-CG2 4.29Å; V6-T36 PolarHBondContact O-N 3.11Å; V6-T36 PolarHBondContact O-OG1 3.11Å; T7-T36 WeakPolarHBondContact CA-OG1 3.2Å; G8-T36 PolarHBondContact N-O 3.14Å; S9-T36 PolarHBondContact N-O 3.12Å; S9-T36 PolarHBondContact OG-N 3.32Å; S9-T36 PolarHBondContact OG-O 2.81Å; T36-H60 WeakPolarHBondContact CA-O 3.47Å; T36-H60 VanDerWaalsContact CB-O 3.29Å; T36-H60 WeakPolarHBondContact CB-O 3.5Å; T36-L62 HydrophobicContact CG2-CB 4.46Å; T36-F73 HydrophobicContact CG2-CE2 4.03Å; T36-F73 HydrophobicContact CG2-CZ 4.44Å
37A98.8Very high97.7Very high0 Ų052.9 Ų52.90%029%0.288CS..EExtended strand (participates in β ladder)trans-149.4148.5-17700000110.9N10 L35 N39 F59 Q61 L62N10-A37 HydrophobicContact CB-CB 3.78Å; L35-A37 HydrophobicContact CD2-CB 4.45Å; A37-N39 VanDerWaalsContact C-N 3.35Å; A37-F59 HydrophobicContact CB-CE2 3.97Å; A37-Q61 WeakPolarHBondContact O-CA 3.34Å; A37-L62 CarbonylContact C-O 3.43Å; A37-L62 VanDerWaalsContact C-O 3.27Å; A37-L62 PolarHBondContact O-N 2.91Å
38R98.3Very high98Very high171 Ų17154.6 Ų54.665%0.64528%0.276SS*.SBendtrans-66.2-37.8175.765-179.8-177.6178.61.8112.6Q61 L62 D63R38-Q61 PolarHBondContact O-NE2 2.97Å; R38-L62 WeakPolarHBondContact CA-O 3.35Å; R38-L62 PolarHBondContact N-O 2.69Å; R38-D63 HydrophobicContact CB-CB 3.7Å; R38-D63 WeakPolarHBondContact CB-OD2 3.11Å
39N98.6Very high98.3Very high58 Ų5857.2 Ų57.231%0.3128%0.279SS..SBendtrans-100125.9179.6173.3-83.9000108.9A37 E41 L42 G43A37-N39 VanDerWaalsContact C-N 3.35Å; N39-E41 VanDerWaalsContact CG-OE2 3.28Å; N39-E41 PolarHBondContact ND2-OE2 3.39Å; N39-E41 PolarHBondContact OD1-N 2.84Å; N39-E41 PolarHBondContact OD1-OE2 3.42Å; N39-E41 VanDerWaalsContact OD1-OE2 3.14Å; N39-L42 HydrophobicContact CB-CB 4.43Å; N39-L42 HydrophobicContact CB-CD1 4.26Å; N39-L42 HydrophobicContact CB-CG 4.5Å; N39-L42 WeakPolarHBondContact OD1-CB 3.38Å; N39-L42 VanDerWaalsContact OD1-CG 3.27Å; N39-L42 WeakPolarHBondContact OD1-CG 3.12Å; N39-L42 PolarHBondContact OD1-N 3.41Å; N39-G43 PolarHBondContact O-N 3.04Å; N39-G43 VanDerWaalsContact O-N 3.16Å
40V98.6Very high98.5Very high54 Ų5454.6 Ų54.633%0.32725%0.252SS..Hα-helixtrans-68.7-44.7-173.4174.10000111.1G43 Q44 F59 Q61V40-G43 PolarHBondContact O-N 2.92Å; V40-Q44 HydrophobicContact CG1-CG 4.29Å; V40-Q44 WeakPolarHBondContact O-CG 3.38Å; V40-Q44 PolarHBondContact O-N 3.16Å; V40-F59 HydrophobicContact CB-CE1 4.43Å; V40-F59 HydrophobicContact CG1-CE1 4.03Å; V40-F59 HydrophobicContact CG2-CE1 4.42Å; V40-Q61 HydrophobicContact CG2-CB 4.07Å; V40-Q61 HydrophobicContact CG2-CG 3.73Å
41E98.6Very high98.6Very high119 Ų11953.1 Ų53.156%0.55625%0.253SS*.Hα-helixtrans-61.5-51.6-176.9-60.384.6-166.600111.2N39 G43 Q44 E45N39-E41 VanDerWaalsContact CG-OE2 3.28Å; N39-E41 PolarHBondContact ND2-OE2 3.39Å; N39-E41 PolarHBondContact OD1-N 2.84Å; N39-E41 PolarHBondContact OD1-OE2 3.42Å; N39-E41 VanDerWaalsContact OD1-OE2 3.14Å; E41-G43 VanDerWaalsContact C-N 3.26Å; E41-G43 PolarHBondContact O-N 2.67Å; E41-Q44 PolarHBondContact O-N 3.45Å; E41-E45 WeakPolarHBondContact O-CG 3.32Å; E41-E45 PolarHBondContact O-N 3.06Å
42L98.5Very high98.5Very high78 Ų7857.8 Ų57.841%0.40828%0.28SS..Hα-helixtrans-62.3-33.7178.3-66.9177.6000112.4N10 N39 A46N10-L42 HydrophobicContact CB-CB 4.38Å; N39-L42 HydrophobicContact CB-CB 4.43Å; N39-L42 HydrophobicContact CB-CD1 4.26Å; N39-L42 HydrophobicContact CB-CG 4.5Å; N39-L42 WeakPolarHBondContact OD1-CB 3.38Å; N39-L42 VanDerWaalsContact OD1-CG 3.27Å; N39-L42 WeakPolarHBondContact OD1-CG 3.12Å; N39-L42 PolarHBondContact OD1-N 3.41Å; L42-A46 WeakPolarHBondContact O-CB 3.38Å; L42-A46 PolarHBondContact O-N 3.28Å; L42-A46 VanDerWaalsContact O-N 3.08Å
43G98.7Very high98.5Very high0 Ų062.8 Ų62.80%030%0.301CS..Hα-helixtrans-66.8-47.4175.200000112.5N39 V40 E41 A46 V47N39-G43 PolarHBondContact O-N 3.04Å; N39-G43 VanDerWaalsContact O-N 3.16Å; V40-G43 PolarHBondContact O-N 2.92Å; E41-G43 VanDerWaalsContact C-N 3.26Å; E41-G43 PolarHBondContact O-N 2.67Å; G43-A46 WeakPolarHBondContact O-CB 3.44Å; G43-A46 PolarHBondContact O-N 3.3Å; G43-V47 PolarHBondContact O-N 3.41Å
44Q98.5Very high98.4Very high111 Ų11166 Ų6652%0.51934%0.335SS..Hα-helixtrans-65.5-39.1177.2-71.6178.1-15.200112.1V40 E41 A46 V47 K48 F59V40-Q44 HydrophobicContact CG1-CG 4.29Å; V40-Q44 WeakPolarHBondContact O-CG 3.38Å; V40-Q44 PolarHBondContact O-N 3.16Å; E41-Q44 PolarHBondContact O-N 3.45Å; Q44-A46 VanDerWaalsContact C-N 3.32Å; Q44-A46 PolarHBondContact O-N 3.07Å; Q44-V47 PolarHBondContact O-N 3.09Å; Q44-K48 WeakPolarHBondContact O-CB 3.3Å; Q44-K48 PolarHBondContact O-N 2.84Å; Q44-F59 HydrophobicContact CG-CD1 4.02Å; Q44-F59 HydrophobicContact CG-CE1 4.33Å; Q44-F59 HydrophobicContact CG-CG 4.48Å
45E98.7Very high98.4Very high105 Ų10566.3 Ų66.349%0.49134%0.338SS..Hα-helixtrans-60.1-42.8172.6-76179.8-176.900112E41 K48 K49E41-E45 WeakPolarHBondContact O-CG 3.32Å; E41-E45 PolarHBondContact O-N 3.06Å; E45-K48 PolarHBondContact O-N 3.05Å; E45-K49 WeakPolarHBondContact O-CG 3.39Å; E45-K49 PolarHBondContact O-N 3.48Å
46A98.7Very high98.3Very high2 Ų271.7 Ų71.72%0.01737%0.366CS..Hα-helixtrans-64.5-43.1177.600000111.9N10 Y15 L35 L42 G43 Q44 K48 K49 L50N10-A46 HydrophobicContact CB-CB 4.14Å; N10-A46 WeakPolarHBondContact O-CB 3.39Å; Y15-A46 HydrophobicContact CD2-CB 3.99Å; Y15-A46 HydrophobicContact CE2-CB 4.01Å; L35-A46 HydrophobicContact CD1-CB 3.56Å; L35-A46 HydrophobicContact CD2-CB 4.27Å; L42-A46 WeakPolarHBondContact O-CB 3.38Å; L42-A46 PolarHBondContact O-N 3.28Å; L42-A46 VanDerWaalsContact O-N 3.08Å; G43-A46 WeakPolarHBondContact O-CB 3.44Å; G43-A46 PolarHBondContact O-N 3.3Å; Q44-A46 VanDerWaalsContact C-N 3.32Å; Q44-A46 PolarHBondContact O-N 3.07Å; A46-K48 PolarHBondContact O-N 3.31Å; A46-K49 WeakPolarHBondContact O-CB 3.47Å; A46-K49 PolarHBondContact O-N 3.48Å; A46-L50 PolarHBondContact O-N 3.08Å
47V98.7Very high98.2Very high25 Ų2572.1 Ų72.115%0.15237%0.369CS..Hα-helixtrans-60.7-44.2173167.30000111.5L35 G43 Q44 K49 L50 S51 V57 F59L35-V47 HydrophobicContact CB-CG2 3.83Å; L35-V47 HydrophobicContact CD1-CG2 4.09Å; L35-V47 HydrophobicContact CD2-CG2 4.33Å; L35-V47 HydrophobicContact CG-CG2 4.3Å; G43-V47 PolarHBondContact O-N 3.41Å; Q44-V47 PolarHBondContact O-N 3.09Å; V47-K49 VanDerWaalsContact C-N 3.28Å; V47-K49 PolarHBondContact O-N 3.38Å; V47-L50 PolarHBondContact O-N 3.22Å; V47-L50 VanDerWaalsContact O-N 3.07Å; V47-S51 PolarHBondContact O-N 2.89Å; V47-V57 WeakPolarHBondContact CG1-O 3.45Å; V47-V57 HydrophobicContact CG2-CG1 4.08Å; V47-F59 HydrophobicContact CG2-CB 3.89Å
48K98.6Very high98.2Very high139 Ų13975.1 Ų75.160%0.60438%0.382SS*.Hα-helixtrans-58.7-40176.5-171.3-179.9-177.8-179.60112Q44 E45 A46 L50 S51 N52Q44-K48 WeakPolarHBondContact O-CB 3.3Å; Q44-K48 PolarHBondContact O-N 2.84Å; E45-K48 PolarHBondContact O-N 3.05Å; A46-K48 PolarHBondContact O-N 3.31Å; K48-L50 VanDerWaalsContact C-N 3.32Å; K48-L50 PolarHBondContact O-N 3.32Å; K48-S51 PolarHBondContact O-N 2.98Å; K48-N52 WeakPolarHBondContact O-CB 3.28Å; K48-N52 PolarHBondContact O-N 2.98Å; K48-N52 PolarHBondContact O-OD1 2.62Å
49K98.6Very high98.3Very high121 Ų12169.3 Ų69.353%0.52636%0.362SS..Hα-helixtrans-61.3-39.2175.5-70.9172.4-174.61750112.3Y15 E45 A46 V47Y15-K49 HydrophobicContact CE2-CB 4.48Å; Y15-K49 WeakPolarHBondContact OH-CB 3.23Å; E45-K49 WeakPolarHBondContact O-CG 3.39Å; E45-K49 PolarHBondContact O-N 3.48Å; A46-K49 WeakPolarHBondContact O-CB 3.47Å; A46-K49 PolarHBondContact O-N 3.48Å; V47-K49 VanDerWaalsContact C-N 3.28Å; V47-K49 PolarHBondContact O-N 3.38Å
50L98.4Very high98.3Very high0 Ų068 Ų680%035%0.353CS..Hα-helixtrans-73.3-40.6177.2-66.8167.3000111.7Y15 V18 E19 L35 A46 V47 K48 N52 K53 G54 L55 V57Y15-L50 HydrophobicContact CD2-CD1 4.33Å; Y15-L50 HydrophobicContact CE1-CD2 3.96Å; Y15-L50 HydrophobicContact CE2-CD1 3.83Å; Y15-L50 HydrophobicContact CE2-CD2 3.99Å; Y15-L50 HydrophobicContact CE2-CG 3.67Å; Y15-L50 VanDerWaalsContact CZ-CD2 3.49Å; Y15-L50 VanDerWaalsContact OH-CD2 3.29Å; Y15-L50 WeakPolarHBondContact OH-CD2 3.16Å; Y15-L50 WeakPolarHBondContact OH-CG 3.21Å; V18-L50 HydrophobicContact CB-CD1 4.48Å; V18-L50 HydrophobicContact CG1-CD1 3.72Å; E19-L50 HydrophobicContact CB-CD2 3.76Å; E19-L50 HydrophobicContact CG-CD2 3.98Å; L35-L50 HydrophobicContact CD1-CD1 3.97Å; A46-L50 PolarHBondContact O-N 3.08Å; V47-L50 PolarHBondContact O-N 3.22Å; V47-L50 VanDerWaalsContact O-N 3.07Å; K48-L50 VanDerWaalsContact C-N 3.32Å; K48-L50 PolarHBondContact O-N 3.32Å; L50-N52 VanDerWaalsContact C-N 3.29Å; L50-N52 PolarHBondContact O-N 2.88Å; L50-K53 CarbonylContact O-C 3.56Å; L50-K53 WeakPolarHBondContact O-CA 3.45Å; L50-K53 VanDerWaalsContact O-CB 3.32Å; L50-K53 WeakPolarHBondContact O-CB 3.31Å; L50-K53 PolarHBondContact O-N 3.41Å; L50-G54 PolarHBondContact O-N 3.45Å; L50-L55 HydrophobicContact CB-CB 4.34Å; L50-L55 HydrophobicContact CD2-CD1 4Å; L50-L55 WeakPolarHBondContact O-CB 3.14Å; L50-L55 PolarHBondContact O-N 3.28Å; L50-L55 VanDerWaalsContact O-N 3.13Å; L50-V57 HydrophobicContact CB-CB 4.43Å; L50-V57 HydrophobicContact CB-CG2 4.2Å; L50-V57 HydrophobicContact CD1-CB 4.23Å; L50-V57 HydrophobicContact CD1-CG1 4.05Å; L50-V57 HydrophobicContact CD1-CG2 4Å
51S97.3Very high98.3Very high73 Ų7368 Ų6851%0.5135%0.35SS..Hα-helixtrans-60-38.8174.2-179.40000112.1V47 K48 K53 G54 L55V47-S51 PolarHBondContact O-N 2.89Å; K48-S51 PolarHBondContact O-N 2.98Å; S51-K53 PolarHBondContact O-N 3.04Å; S51-G54 WeakPolarHBondContact O-CA 3.25Å; S51-G54 PolarHBondContact O-N 3.05Å; S51-L55 WeakPolarHBondContact CA-O 3.44Å
52N98Very high98.3Very high126 Ų12662.6 Ų62.667%0.67433%0.325SS*.THydrogen-bonded Turntrans-63.2-19.3173.1-70.5-11.9000113.6K48 L50 G54K48-N52 WeakPolarHBondContact O-CB 3.28Å; K48-N52 PolarHBondContact O-N 2.98Å; K48-N52 PolarHBondContact O-OD1 2.62Å; L50-N52 VanDerWaalsContact C-N 3.29Å; L50-N52 PolarHBondContact O-N 2.88Å; N52-G54 VanDerWaalsContact C-N 3.32Å
53K97.5Very high98.3Very high118 Ų11860.6 Ų60.651%0.51331%0.314SS..THydrogen-bonded Turntrans-88.92.3171.5-61.6178.3176.6-176.60112.8E19 L50 S51 L55E19-K53 WeakPolarHBondContact OE1-CD 3.47Å; E19-K53 WeakPolarHBondContact OE1-CE 3.31Å; E19-K53 IonicContact OE1-NZ 2.8Å; E19-K53 PolarHBondContact OE1-NZ 3Å; E19-K53 IonicContact OE2-NZ 3.63Å; E19-K53 PolarHBondContact OE2-NZ 2.86Å; E19-K53 VanDerWaalsContact OE2-NZ 3.09Å; L50-K53 CarbonylContact O-C 3.56Å; L50-K53 WeakPolarHBondContact O-CA 3.45Å; L50-K53 VanDerWaalsContact O-CB 3.32Å; L50-K53 WeakPolarHBondContact O-CB 3.31Å; L50-K53 PolarHBondContact O-N 3.41Å; S51-K53 PolarHBondContact O-N 3.04Å; K53-L55 HydrophobicContact CB-CD1 4.41Å; K53-L55 HydrophobicContact CB-CG 4.32Å
54G97.3Very high98.3Very high69 Ų6961 Ų6171%0.71132%0.316SS*.THydrogen-bonded Turntrans81.513.7-176.100000114.2L50 S51 N52L50-G54 PolarHBondContact O-N 3.45Å; S51-G54 WeakPolarHBondContact O-CA 3.25Å; S51-G54 PolarHBondContact O-N 3.05Å; N52-G54 VanDerWaalsContact C-N 3.32Å
55L98Very high98.3Very high24 Ų2458.3 Ų58.313%0.12631%0.308CS..  trans-94.2124.8180-58.2175.4000110.6E19 A22 E23 L50 S51 K53 V57E19-L55 HydrophobicContact CG-CD1 3.86Å; A22-L55 HydrophobicContact CB-CB 4.11Å; A22-L55 HydrophobicContact CB-CD1 4.35Å; A22-L55 HydrophobicContact CB-CD2 4.34Å; E23-L55 HydrophobicContact CG-CD1 4.07Å; E23-L55 HydrophobicContact CG-CD2 3.77Å; L50-L55 HydrophobicContact CB-CB 4.34Å; L50-L55 HydrophobicContact CD2-CD1 4Å; L50-L55 WeakPolarHBondContact O-CB 3.14Å; L50-L55 PolarHBondContact O-N 3.28Å; L50-L55 VanDerWaalsContact O-N 3.13Å; S51-L55 WeakPolarHBondContact CA-O 3.44Å; K53-L55 HydrophobicContact CB-CD1 4.41Å; K53-L55 HydrophobicContact CB-CG 4.32Å; L55-V57 HydrophobicContact CB-CG2 4.31Å; L55-V57 PolarHBondContact O-N 3.38Å
56D96.2Very high98.3Very high113 Ų11356.9 Ų56.960%0.60430%0.304SS*.  trans-81.599.6173.6-173.119.6000110.1
57V98.4Very high98.3Very high9 Ų963 Ų636%0.05533%0.332CS..  trans-124.3131-179.8174.80000108.7V18 A22 L35 V47 L50 L55V18-V57 HydrophobicContact CG1-CB 4.42Å; V18-V57 HydrophobicContact CG1-CG1 3.52Å; V18-V57 HydrophobicContact CG1-CG2 3.98Å; A22-V57 HydrophobicContact CB-CG2 3.56Å; L35-V57 HydrophobicContact CB-CG1 3.76Å; V47-V57 WeakPolarHBondContact CG1-O 3.45Å; V47-V57 HydrophobicContact CG2-CG1 4.08Å; L50-V57 HydrophobicContact CB-CB 4.43Å; L50-V57 HydrophobicContact CB-CG2 4.2Å; L50-V57 HydrophobicContact CD1-CB 4.23Å; L50-V57 HydrophobicContact CD1-CG1 4.05Å; L50-V57 HydrophobicContact CD1-CG2 4Å; L55-V57 HydrophobicContact CB-CG2 4.31Å; L55-V57 PolarHBondContact O-N 3.38Å
58K98.4Very high98.3Very high63 Ų6367 Ų6727%0.27435%0.353SS..EExtended strand (participates in β ladder)trans-93.6157179.1-57.9-171.1-175.4-177.40110.6D32 I33 Y34 L35D32-K58 HydrophobicContact CB-CD 4.11Å; D32-K58 WeakPolarHBondContact OD1-CE 3.48Å; D32-K58 IonicContact OD1-NZ 3.78Å; D32-K58 PolarHBondContact OD1-NZ 3.19Å; D32-K58 IonicContact OD2-NZ 2.7Å; D32-K58 PolarHBondContact OD2-NZ 3.45Å; I33-K58 PolarHBondContact O-N 3.45Å; Y34-K58 WeakPolarHBondContact CA-O 3.39Å; Y34-K58 HydrophobicContact CD1-CB 3.88Å; Y34-K58 HydrophobicContact CD2-CB 4.24Å; Y34-K58 HydrophobicContact CE1-CB 3.55Å; Y34-K58 HydrophobicContact CE2-CB 3.93Å; Y34-K58 HydrophobicContact CE2-CD 3.91Å; Y34-K58 HydrophobicContact CE2-CG 4.44Å; Y34-K58 HydrophobicContact CG-CB 4.21Å; Y34-K58 VanDerWaalsContact OH-CD 3.32Å; Y34-K58 WeakPolarHBondContact OH-CD 3.44Å; L35-K58 PolarHBondContact N-O 3Å
59F98.8Very high98.3Very high49 Ų4960.7 Ų60.722%0.21533%0.326CS..EExtended strand (participates in β ladder)trans-112.8140.4175.5-179.1-112000111.4L35 A37 V40 Q44 V47 Q61L35-F59 HydrophobicContact CD2-CD2 3.92Å; L35-F59 HydrophobicContact CD2-CE2 4.2Å; L35-F59 WeakPolarHBondContact O-CA 3.48Å; L35-F59 WeakPolarHBondContact O-CD2 3.31Å; A37-F59 HydrophobicContact CB-CE2 3.97Å; V40-F59 HydrophobicContact CB-CE1 4.43Å; V40-F59 HydrophobicContact CG1-CE1 4.03Å; V40-F59 HydrophobicContact CG2-CE1 4.42Å; Q44-F59 HydrophobicContact CG-CD1 4.02Å; Q44-F59 HydrophobicContact CG-CE1 4.33Å; Q44-F59 HydrophobicContact CG-CG 4.48Å; V47-F59 HydrophobicContact CG2-CB 3.89Å; F59-Q61 HydrophobicContact CE1-CB 4.36Å; F59-Q61 HydrophobicContact CZ-CB 4.26Å
60H98.9Very high98.3Very high30 Ų3055.5 Ų55.514%0.13930%0.303CS..EExtended strand (participates in β ladder)trans-142.2137.9158.9-163.4-68000109.8Y34 L35 T36 L62 F73 F76Y34-H60 HydrophobicContact CD1-CB 3.74Å; Y34-H60 HydrophobicContact CE1-CB 4.06Å; L35-H60 PolarHBondContact O-N 3.01Å; T36-H60 WeakPolarHBondContact CA-O 3.47Å; T36-H60 VanDerWaalsContact CB-O 3.29Å; T36-H60 WeakPolarHBondContact CB-O 3.5Å; H60-L62 PolarHBondContact O-N 2.85Å; H60-F73 HydrophobicContact CB-CD2 4Å; H60-F73 HydrophobicContact CB-CE2 4.14Å; H60-F73 AromaticContact CG-CD2 3.68Å; H60-F73 AromaticContact ND1-CD2 3.55Å; H60-F76 AromaticContact CD2-CD1 3.42Å; H60-F76 VanDerWaalsContact CD2-CD1 3.42Å; H60-F76 WeakPolarHBondContact CD2-CD1 3.39Å; H60-F76 AromaticContact CD2-CD2 3.97Å; H60-F76 AromaticContact CD2-CE1 3.94Å; H60-F76 AromaticContact CD2-CG 3.47Å; H60-F76 VanDerWaalsContact CD2-CG 3.47Å; H60-F76 WeakPolarHBondContact CD2-CG 3.45Å; H60-F76 WeakPolarHBondContact NE2-CB 3.38Å; H60-F76 AromaticContact NE2-CD1 3.83Å; H60-F76 AromaticContact NE2-CG 3.49Å; H60-F76 WeakPolarHBondContact NE2-CG 3.31Å
61Q98.8Very high98.4Very high54 Ų5462 Ų6225%0.25233%0.331SS..EExtended strand (participates in β ladder)trans-65.8135.9175.1-168-79-23.700109.9A37 R38 V40 F59 S69A37-Q61 WeakPolarHBondContact O-CA 3.34Å; R38-Q61 PolarHBondContact O-NE2 2.97Å; V40-Q61 HydrophobicContact CG2-CB 4.07Å; V40-Q61 HydrophobicContact CG2-CG 3.73Å; F59-Q61 HydrophobicContact CE1-CB 4.36Å; F59-Q61 HydrophobicContact CZ-CB 4.26Å; Q61-S69 PolarHBondContact OE1-OG 3.04Å
62L98.9Very high98.4Very high5 Ų562.7 Ų62.73%0.02633%0.332CS..  trans-154.5111.4173.2-178.959.5000109.8T7 T36 A37 R38 H60 I64 S69 R70 F73 F122T7-L62 HydrophobicContact CG2-CD2 3.83Å; T36-L62 HydrophobicContact CG2-CB 4.46Å; A37-L62 CarbonylContact C-O 3.43Å; A37-L62 VanDerWaalsContact C-O 3.27Å; A37-L62 PolarHBondContact O-N 2.91Å; R38-L62 WeakPolarHBondContact CA-O 3.35Å; R38-L62 PolarHBondContact N-O 2.69Å; H60-L62 PolarHBondContact O-N 2.85Å; L62-I64 HydrophobicContact CD2-CG2 4.36Å; L62-I64 HydrophobicContact CG-CG2 4.23Å; L62-S69 WeakPolarHBondContact CA-OG 3.5Å; L62-R70 HydrophobicContact CD1-CG 4.17Å; L62-F73 HydrophobicContact CD1-CB 3.99Å; L62-F73 HydrophobicContact CD1-CD1 4.46Å; L62-F73 HydrophobicContact CD1-CG 4.3Å; L62-F73 HydrophobicContact CD2-CD1 4.2Å; L62-F73 HydrophobicContact CD2-CE1 4.43Å; L62-F73 HydrophobicContact CD2-CG 4.4Å; L62-F122 HydrophobicContact CD1-CE2 4.33Å; L62-F122 HydrophobicContact CD1-CZ 4.27Å; L62-F122 HydrophobicContact CD2-CE1 3.73Å; L62-F122 HydrophobicContact CD2-CE2 4.45Å; L62-F122 HydrophobicContact CD2-CZ 3.61Å
63D98.8Very high98.5Very high36 Ų3656.7 Ų56.719%0.19330%0.3CS..  trans-102.9109.9161-167-33.5000108.1R38 T65 D66 S69R38-D63 HydrophobicContact CB-CB 3.7Å; R38-D63 WeakPolarHBondContact CB-OD2 3.11Å; D63-T65 PolarHBondContact O-N 3.15Å; D63-T65 VanDerWaalsContact O-N 3.13Å; D63-T65 WeakPolarHBondContact OD1-CB 3.44Å; D63-T65 PolarHBondContact OD1-N 3.31Å; D63-T65 PolarHBondContact OD1-OG1 3.3Å; D63-D66 HydrophobicContact CB-CB 4.29Å; D63-D66 PolarHBondContact O-N 3.32Å; D63-D66 VanDerWaalsContact O-N 3.1Å; D63-S69 PolarHBondContact N-OG 2.88Å
64I98.7Very high98.5Very high8 Ų851.7 Ų51.74%0.04128%0.279CS..THydrogen-bonded Turntrans-62.5-21.7-179.361.6165.7000112.3T7 L62 D66 R70 A92 T114 S118 F122T7-I64 HydrophobicContact CG2-CG2 4.18Å; L62-I64 HydrophobicContact CD2-CG2 4.36Å; L62-I64 HydrophobicContact CG-CG2 4.23Å; I64-D66 VanDerWaalsContact C-N 3.32Å; I64-R70 WeakPolarHBondContact O-CD 3.47Å; I64-R70 PolarHBondContact O-NH1 3.49Å; I64-A92 HydrophobicContact CD1-CB 3.87Å; I64-A92 HydrophobicContact CG1-CB 4.36Å; I64-T114 HydrophobicContact CD1-CG2 4.18Å; I64-T114 WeakPolarHBondContact CD1-O 3.3Å; I64-S118 VanDerWaalsContact O-CB 3.31Å; I64-S118 WeakPolarHBondContact O-CB 3.27Å; I64-F122 HydrophobicContact CG2-CD1 4.14Å
65T98.7Very high98.6Very high56 Ų5650.1 Ų50.134%0.34426%0.255SS..THydrogen-bonded Turntrans-81-11.4179.369.20000113.8D63 T114 S118D63-T65 PolarHBondContact O-N 3.15Å; D63-T65 VanDerWaalsContact O-N 3.13Å; D63-T65 WeakPolarHBondContact OD1-CB 3.44Å; D63-T65 PolarHBondContact OD1-N 3.31Å; D63-T65 PolarHBondContact OD1-OG1 3.3Å; T65-T114 HydrophobicContact CG2-CG2 4.05Å; T65-T114 WeakPolarHBondContact CG2-OG1 3.46Å; T65-S118 WeakPolarHBondContact CA-OG 3.45Å
66D98.8Very high98.6Very high75 Ų7551.1 Ų51.140%0.40126%0.259SS..  trans-106.2113.4176.8175.53.8000110.4D63 I64 N68 S69 R70D63-D66 HydrophobicContact CB-CB 4.29Å; D63-D66 PolarHBondContact O-N 3.32Å; D63-D66 VanDerWaalsContact O-N 3.1Å; I64-D66 VanDerWaalsContact C-N 3.32Å; D66-N68 VanDerWaalsContact C-N 3.26Å; D66-N68 PolarHBondContact O-N 3.18Å; D66-N68 WeakPolarHBondContact OD1-CB 3.22Å; D66-N68 PolarHBondContact OD1-N 3.12Å; D66-S69 WeakPolarHBondContact O-CB 3.41Å; D66-S69 PolarHBondContact O-N 3.44Å; D66-S69 VanDerWaalsContact O-N 3.12Å; D66-S69 PolarHBondContact OD1-N 3.4Å; D66-R70 WeakPolarHBondContact O-CG 3.22Å; D66-R70 PolarHBondContact O-N 2.71Å
67Q98.6Very high98.8Very high130 Ų13045.7 Ų45.761%0.60723%0.23SC*.Hα-helixtrans-58-36.1178.5-174.8179.1900113R70 K71Q67-R70 PolarHBondContact O-N 2.68Å; Q67-K71 WeakPolarHBondContact O-CB 3.03Å; Q67-K71 PolarHBondContact O-N 3.17Å
68N98.8Very high98.7Very high110 Ų11050.6 Ų50.659%0.58825%0.252SS*.Hα-helixtrans-69.9-41.3177.2-77.5-25000110.8D66 R70 K71 V72D66-N68 VanDerWaalsContact C-N 3.26Å; D66-N68 PolarHBondContact O-N 3.18Å; D66-N68 WeakPolarHBondContact OD1-CB 3.22Å; D66-N68 PolarHBondContact OD1-N 3.12Å; N68-R70 VanDerWaalsContact C-N 3.34Å; N68-R70 PolarHBondContact O-N 2.71Å; N68-K71 PolarHBondContact O-N 3.39Å; N68-V72 VanDerWaalsContact O-CG2 3.3Å; N68-V72 WeakPolarHBondContact O-CG2 3.11Å; N68-V72 PolarHBondContact O-N 3.25Å
69S98.9Very high98.7Very high6 Ų657 Ų574%0.04228%0.275CS..Hα-helixtrans-57.7-46.3174.4-178.60000111.5Q61 L62 D63 D66 K71 V72 F73Q61-S69 PolarHBondContact OE1-OG 3.04Å; L62-S69 WeakPolarHBondContact CA-OG 3.5Å; D63-S69 PolarHBondContact N-OG 2.88Å; D66-S69 WeakPolarHBondContact O-CB 3.41Å; D66-S69 PolarHBondContact O-N 3.44Å; D66-S69 VanDerWaalsContact O-N 3.12Å; D66-S69 PolarHBondContact OD1-N 3.4Å; S69-K71 PolarHBondContact O-N 3.45Å; S69-V72 PolarHBondContact O-N 2.79Å; S69-F73 PolarHBondContact O-N 2.88Å
70R98.8Very high98.7Very high11 Ų1159 Ų594%0.04229%0.288CS..Hα-helixtrans-59.2-48.3174.6-61-168.1-53.5-100.97.8112.1L62 I64 D66 Q67 N68 V72 F73 L74 F122 E125L62-R70 HydrophobicContact CD1-CG 4.17Å; I64-R70 WeakPolarHBondContact O-CD 3.47Å; I64-R70 PolarHBondContact O-NH1 3.49Å; D66-R70 WeakPolarHBondContact O-CG 3.22Å; D66-R70 PolarHBondContact O-N 2.71Å; Q67-R70 PolarHBondContact O-N 2.68Å; N68-R70 VanDerWaalsContact C-N 3.34Å; N68-R70 PolarHBondContact O-N 2.71Å; R70-V72 VanDerWaalsContact C-N 3.34Å; R70-V72 PolarHBondContact O-N 2.88Å; R70-F73 PolarHBondContact O-N 2.86Å; R70-L74 WeakPolarHBondContact O-CG 3.36Å; R70-L74 PolarHBondContact O-N 3.33Å; R70-F122 HydrophobicContact CB-CD2 3.99Å; R70-F122 HydrophobicContact CB-CE2 4.3Å; R70-F122 HydrophobicContact CG-CD2 3.87Å; R70-F122 HydrophobicContact CG-CE2 4.42Å; R70-F122 HydrophobicContact CG-CG 4.42Å; R70-E125 VanDerWaalsContact CB-OE2 3.29Å; R70-E125 WeakPolarHBondContact CB-OE2 3.29Å; R70-E125 VanDerWaalsContact CD-OE2 3.29Å; R70-E125 WeakPolarHBondContact CD-OE2 3.47Å; R70-E125 IonicContact CZ-OE1 2.64Å; R70-E125 IonicContact CZ-OE2 3.14Å; R70-E125 VanDerWaalsContact NE-CD 3.32Å; R70-E125 IonicContact NE-OE1 2.74Å; R70-E125 PolarHBondContact NE-OE1 2.78Å; R70-E125 VanDerWaalsContact NE-OE1 3.13Å; R70-E125 IonicContact NE-OE2 2.68Å; R70-E125 PolarHBondContact NE-OE2 3Å; R70-E125 IonicContact NH2-OE1 3.78Å; R70-E125 PolarHBondContact NH2-OE1 2.96Å; R70-E125 IonicContact NH2-OE2 3.58Å
71K98.8Very high98.7Very high137 Ų13758.3 Ų58.360%0.59628%0.284SS*.Hα-helixtrans-59.8-41.8178.5-176.8178.1179.7178.60112.6Q67 N68 S69 L74 T75Q67-K71 WeakPolarHBondContact O-CB 3.03Å; Q67-K71 PolarHBondContact O-N 3.17Å; N68-K71 PolarHBondContact O-N 3.39Å; S69-K71 PolarHBondContact O-N 3.45Å; K71-L74 PolarHBondContact O-N 2.89Å; K71-T75 WeakPolarHBondContact O-CB 3.41Å; K71-T75 PolarHBondContact O-N 3.36Å; K71-T75 PolarHBondContact O-OG1 3.08Å
72V98.8Very high98.6Very high87 Ų8761.1 Ų61.153%0.52731%0.307SS..Hα-helixtrans-63.2-46.3177.9170.70000110.2N68 S69 R70 F76N68-V72 VanDerWaalsContact O-CG2 3.3Å; N68-V72 WeakPolarHBondContact O-CG2 3.11Å; N68-V72 PolarHBondContact O-N 3.25Å; S69-V72 PolarHBondContact O-N 2.79Å; R70-V72 VanDerWaalsContact C-N 3.34Å; R70-V72 PolarHBondContact O-N 2.88Å; V72-F76 WeakPolarHBondContact O-CB 3.3Å; V72-F76 PolarHBondContact O-N 2.89Å
73F98.9Very high98.5Very high0 Ų066.8 Ų66.80%034%0.337CS..Hα-helixtrans-60.3-45.9175.4177-104.7000112.4F5 T36 H60 L62 S69 R70 F76 V77 F122F5-F73 HydrophobicContact CB-CZ 3.9Å; F5-F73 AromaticContact CD1-CE1 3.95Å; F5-F73 HydrophobicContact CD1-CE1 3.95Å; F5-F73 AromaticContact CD1-CZ 3.75Å; F5-F73 HydrophobicContact CD1-CZ 3.75Å; F5-F73 HydrophobicContact CD2-CE1 4.4Å; F5-F73 HydrophobicContact CD2-CZ 4.25Å; F5-F73 HydrophobicContact CE1-CE1 4.03Å; F5-F73 HydrophobicContact CE1-CZ 4.31Å; F5-F73 HydrophobicContact CG-CE1 4.13Å; F5-F73 AromaticContact CG-CZ 3.7Å; F5-F73 HydrophobicContact CG-CZ 3.7Å; F5-F73 HydrophobicContact CZ-CE1 4.34Å; T36-F73 HydrophobicContact CG2-CE2 4.03Å; T36-F73 HydrophobicContact CG2-CZ 4.44Å; H60-F73 HydrophobicContact CB-CD2 4Å; H60-F73 HydrophobicContact CB-CE2 4.14Å; H60-F73 AromaticContact CG-CD2 3.68Å; H60-F73 AromaticContact ND1-CD2 3.55Å; L62-F73 HydrophobicContact CD1-CB 3.99Å; L62-F73 HydrophobicContact CD1-CD1 4.46Å; L62-F73 HydrophobicContact CD1-CG 4.3Å; L62-F73 HydrophobicContact CD2-CD1 4.2Å; L62-F73 HydrophobicContact CD2-CE1 4.43Å; L62-F73 HydrophobicContact CD2-CG 4.4Å; S69-F73 PolarHBondContact O-N 2.88Å; R70-F73 PolarHBondContact O-N 2.86Å; F73-F76 WeakPolarHBondContact O-CB 3.15Å; F73-F76 PolarHBondContact O-N 3.47Å; F73-V77 HydrophobicContact CD1-CG2 4.28Å; F73-V77 HydrophobicContact CE1-CG2 3.84Å; F73-V77 HydrophobicContact CE2-CG2 4.12Å; F73-V77 HydrophobicContact CZ-CG2 3.76Å; F73-V77 WeakPolarHBondContact O-CG2 3.36Å; F73-V77 PolarHBondContact O-N 3.4Å; F73-F122 HydrophobicContact CD1-CE2 4.01Å; F73-F122 AromaticContact CD1-CZ 3.68Å; F73-F122 HydrophobicContact CD1-CZ 3.68Å; F73-F122 AromaticContact CE1-CZ 3.81Å; F73-F122 HydrophobicContact CE1-CZ 3.81Å
74L98.8Very high98.5Very high13 Ų1365.6 Ų65.67%0.06833%0.333CS..Hα-helixtrans-69.5-38.5-178.5-63.5174.3000112.5R70 K71 F76 V77 E78 F122 E125 F126 L129R70-L74 WeakPolarHBondContact O-CG 3.36Å; R70-L74 PolarHBondContact O-N 3.33Å; K71-L74 PolarHBondContact O-N 2.89Å; L74-F76 VanDerWaalsContact C-N 3.27Å; L74-F76 PolarHBondContact O-N 2.99Å; L74-V77 WeakPolarHBondContact O-CB 3.08Å; L74-V77 PolarHBondContact O-N 2.87Å; L74-V77 VanDerWaalsContact O-N 3.09Å; L74-E78 WeakPolarHBondContact O-CG 3.32Å; L74-E78 PolarHBondContact O-N 2.89Å; L74-F122 HydrophobicContact CD1-CD2 4.37Å; L74-F122 HydrophobicContact CD1-CE2 4.11Å; L74-F122 HydrophobicContact CD2-CE2 3.83Å; L74-F122 HydrophobicContact CD2-CZ 4.38Å; L74-F122 HydrophobicContact CG-CE2 3.99Å; L74-E125 HydrophobicContact CD1-CB 3.43Å; L74-E125 VanDerWaalsContact CD1-CB 3.43Å; L74-F126 HydrophobicContact CD2-CB 3.54Å; L74-L129 HydrophobicContact CB-CD1 4.05Å; L74-L129 HydrophobicContact CD2-CD1 3.96Å; L74-L129 HydrophobicContact CG-CD1 4.49Å
75T98.7Very high98.5Very high36 Ų3665.2 Ų65.222%0.22133%0.331CS..Hα-helixtrans-59.6-40.8171.1-54.70000111K71 R79K71-T75 WeakPolarHBondContact O-CB 3.41Å; K71-T75 PolarHBondContact O-N 3.36Å; K71-T75 PolarHBondContact O-OG1 3.08Å; T75-R79 VanDerWaalsContact CG2-CZ 3.42Å; T75-R79 WeakPolarHBondContact O-CB 3.4Å; T75-R79 WeakPolarHBondContact O-CD 3.5Å; T75-R79 VanDerWaalsContact O-CG 3.23Å; T75-R79 WeakPolarHBondContact O-CG 3.45Å; T75-R79 PolarHBondContact O-N 2.91Å
76F98.8Very high98.5Very high45 Ų4563.7 Ų63.720%0.19732%0.321CS..Hα-helixtrans-61.4-45.1173.9162.5-94.4000111.2Y34 H60 V72 F73 L74 R79 N80 Y81Y34-F76 AromaticContact CE1-CE1 3.88Å; Y34-F76 HydrophobicContact CE1-CE1 3.88Å; Y34-F76 AromaticContact CE1-CZ 3.98Å; Y34-F76 HydrophobicContact CE1-CZ 3.98Å; Y34-F76 HydrophobicContact CE2-CE1 4.36Å; Y34-F76 AromaticContact CZ-CE1 3.75Å; Y34-F76 AromaticContact CZ-CZ 3.65Å; Y34-F76 WeakPolarHBondContact OH-CZ 3.23Å; H60-F76 AromaticContact CD2-CD1 3.42Å; H60-F76 VanDerWaalsContact CD2-CD1 3.42Å; H60-F76 WeakPolarHBondContact CD2-CD1 3.39Å; H60-F76 AromaticContact CD2-CD2 3.97Å; H60-F76 AromaticContact CD2-CE1 3.94Å; H60-F76 AromaticContact CD2-CG 3.47Å; H60-F76 VanDerWaalsContact CD2-CG 3.47Å; H60-F76 WeakPolarHBondContact CD2-CG 3.45Å; H60-F76 WeakPolarHBondContact NE2-CB 3.38Å; H60-F76 AromaticContact NE2-CD1 3.83Å; H60-F76 AromaticContact NE2-CG 3.49Å; H60-F76 WeakPolarHBondContact NE2-CG 3.31Å; V72-F76 WeakPolarHBondContact O-CB 3.3Å; V72-F76 PolarHBondContact O-N 2.89Å; F73-F76 WeakPolarHBondContact O-CB 3.15Å; F73-F76 PolarHBondContact O-N 3.47Å; L74-F76 VanDerWaalsContact C-N 3.27Å; L74-F76 PolarHBondContact O-N 2.99Å; F76-R79 PolarHBondContact O-N 3.16Å; F76-N80 VanDerWaalsContact CD2-ND2 3.27Å; F76-N80 WeakPolarHBondContact CD2-ND2 3.45Å; F76-N80 HydrophobicContact CE2-CB 4.34Å; F76-N80 VanDerWaalsContact CE2-ND2 3.28Å; F76-N80 WeakPolarHBondContact CE2-ND2 3.45Å; F76-N80 HydrophobicContact CZ-CB 4.38Å; F76-N80 PolarHBondContact O-N 2.95Å; F76-N80 PolarHBondContact O-ND2 2.89Å; F76-Y81 AromaticContact CE1-CE2 3.81Å; F76-Y81 HydrophobicContact CE1-CE2 3.81Å; F76-Y81 AromaticContact CZ-CE2 3.88Å; F76-Y81 HydrophobicContact CZ-CE2 3.88Å
77V98.7Very high98.5Very high0 Ų060.2 Ų60.20%030%0.303CS..Hα-helixtrans-61.2-51.8178.4168.70000111.4L3 F73 L74 R79 N80 Y81 I85 L129L3-V77 HydrophobicContact CD2-CB 4.3Å; L3-V77 HydrophobicContact CD2-CG1 3.67Å; L3-V77 HydrophobicContact CD2-CG2 3.75Å; F73-V77 HydrophobicContact CD1-CG2 4.28Å; F73-V77 HydrophobicContact CE1-CG2 3.84Å; F73-V77 HydrophobicContact CE2-CG2 4.12Å; F73-V77 HydrophobicContact CZ-CG2 3.76Å; F73-V77 WeakPolarHBondContact O-CG2 3.36Å; F73-V77 PolarHBondContact O-N 3.4Å; L74-V77 WeakPolarHBondContact O-CB 3.08Å; L74-V77 PolarHBondContact O-N 2.87Å; L74-V77 VanDerWaalsContact O-N 3.09Å; V77-R79 VanDerWaalsContact C-N 3.26Å; V77-R79 PolarHBondContact O-N 2.83Å; V77-N80 PolarHBondContact O-N 2.9Å; V77-Y81 PolarHBondContact O-N 2.87Å; V77-I85 HydrophobicContact CG1-CD1 4.05Å; V77-I85 HydrophobicContact CG1-CG1 3.66Å; V77-L129 HydrophobicContact CG1-CD1 4.47Å
78E97.9Very high98.5Very high112 Ų11254 Ų5452%0.52327%0.274SS..Hα-helixtrans-55.7-41.1-179.8-72.3176.9133.300112.5L74 L129L74-E78 WeakPolarHBondContact O-CG 3.32Å; L74-E78 PolarHBondContact O-N 2.89Å; E78-L129 HydrophobicContact CG-CD1 3.55Å; E78-L129 HydrophobicContact CG-CD2 3.57Å; E78-L129 HydrophobicContact CG-CG 4.2Å; E78-L129 WeakPolarHBondContact OE1-CD2 3.36Å
79R98.2Very high98.5Very high198 Ų19848.8 Ų48.875%0.74725%0.246SC*.Hα-helixtrans-71.6-34.9-178.1-73.1173.7-178.7176.12.6113.3T75 F76 V77T75-R79 VanDerWaalsContact CG2-CZ 3.42Å; T75-R79 WeakPolarHBondContact O-CB 3.4Å; T75-R79 WeakPolarHBondContact O-CD 3.5Å; T75-R79 VanDerWaalsContact O-CG 3.23Å; T75-R79 WeakPolarHBondContact O-CG 3.45Å; T75-R79 PolarHBondContact O-N 2.91Å; F76-R79 PolarHBondContact O-N 3.16Å; V77-R79 VanDerWaalsContact C-N 3.26Å; V77-R79 PolarHBondContact O-N 2.83Å
80N98.5Very high98.5Very high91 Ų9148.7 Ų48.749%0.48724%0.244SC..Hα-helixtrans-105.4-19.9-169.4-66-82.3000113.6F76 V77F76-N80 VanDerWaalsContact CD2-ND2 3.27Å; F76-N80 WeakPolarHBondContact CD2-ND2 3.45Å; F76-N80 HydrophobicContact CE2-CB 4.34Å; F76-N80 VanDerWaalsContact CE2-ND2 3.28Å; F76-N80 WeakPolarHBondContact CE2-ND2 3.45Å; F76-N80 HydrophobicContact CZ-CB 4.38Å; F76-N80 PolarHBondContact O-N 2.95Å; F76-N80 PolarHBondContact O-ND2 2.89Å; V77-N80 PolarHBondContact O-N 2.9Å
81Y98.5Very high98.5Very high14 Ų1449.2 Ų49.26%0.05525%0.248CC..  trans-129.273.8-176.4-55.5-83.9000110.3M1 L3 D32 Y34 F76 V77 N83 G84M1-Y81 HydrophobicContact CG-CD1 4.47Å; M1-Y81 HydrophobicContact CG-CE1 3.96Å; L3-Y81 HydrophobicContact CB-CD1 3.73Å; L3-Y81 HydrophobicContact CB-CD2 4.44Å; L3-Y81 HydrophobicContact CB-CE1 4.12Å; L3-Y81 HydrophobicContact CB-CG 3.92Å; L3-Y81 HydrophobicContact CD1-CD2 4.33Å; L3-Y81 HydrophobicContact CD1-CE1 4.25Å; L3-Y81 HydrophobicContact CD1-CE2 4.03Å; L3-Y81 HydrophobicContact CD2-CD2 3.76Å; L3-Y81 HydrophobicContact CD2-CE2 4.24Å; L3-Y81 HydrophobicContact CD2-CG 3.92Å; L3-Y81 HydrophobicContact CG-CD1 4.48Å; L3-Y81 HydrophobicContact CG-CD2 4.4Å; L3-Y81 HydrophobicContact CG-CG 4.36Å; D32-Y81 HydrophobicContact CB-CE1 3.97Å; D32-Y81 WeakPolarHBondContact OD2-CE1 3.49Å; D32-Y81 PolarHBondContact OD2-OH 2.98Å; Y34-Y81 HydrophobicContact CE2-CE2 4.24Å; Y34-Y81 AromaticContact CE2-CZ 3.86Å; Y34-Y81 WeakPolarHBondContact CE2-OH 3.35Å; Y34-Y81 PolarHBondContact OH-OH 2.98Å; F76-Y81 AromaticContact CE1-CE2 3.81Å; F76-Y81 HydrophobicContact CE1-CE2 3.81Å; F76-Y81 AromaticContact CZ-CE2 3.88Å; F76-Y81 HydrophobicContact CZ-CE2 3.88Å; V77-Y81 PolarHBondContact O-N 2.87Å; Y81-N83 PolarHBondContact O-N 3.43Å; Y81-N83 VanDerWaalsContact O-N 3.09Å; Y81-G84 WeakPolarHBondContact O-CA 3.34Å; Y81-G84 PolarHBondContact O-N 2.72Å
82P96.8Very high98.5Very high114 Ų11443.6 Ų43.674%0.7423%0.227SC*.THydrogen-bonded Turntrans-63.2-18.6-176.525.5-35.7000113.9G84P82-G84 VanDerWaalsContact C-N 3.28Å
83N97.1Very high98.4Very high123 Ų12340.5 Ų40.566%0.65821%0.213SC*.THydrogen-bonded Turntrans-83.4-3.6173.7-64.8-34.8000113.2Y81 A131Y81-N83 PolarHBondContact O-N 3.43Å; Y81-N83 VanDerWaalsContact O-N 3.09Å; N83-A131 VanDerWaalsContact O-CA 3.26Å; N83-A131 WeakPolarHBondContact O-CA 3.36Å; N83-A131 WeakPolarHBondContact O-CB 3.4Å
84G98.5Very high98.3Very high11 Ų1142.7 Ų42.711%0.11322%0.224CC..  trans88-172.317900000115.1Y81 P82 L129Y81-G84 WeakPolarHBondContact O-CA 3.34Å; Y81-G84 PolarHBondContact O-N 2.72Å; P82-G84 VanDerWaalsContact C-N 3.28Å; G84-L129 CarbonylContact C-O 3.57Å; G84-L129 WeakPolarHBondContact CA-O 3.38Å
85I98.9Very high98.2Very high0 Ų043.6 Ų43.60%023%0.234CC..EExtended strand (participates in β ladder)trans-86.3123.3179.8-60.7150.1000109.7L3 F5 V77 I87 A88 F126 L129 L130 A131 A134L3-I85 HydrophobicContact CD2-CB 4.4Å; L3-I85 HydrophobicContact CD2-CG1 3.74Å; F5-I85 HydrophobicContact CD1-CG2 3.92Å; F5-I85 HydrophobicContact CE1-CD1 3.99Å; F5-I85 HydrophobicContact CE1-CG1 4.25Å; F5-I85 HydrophobicContact CE1-CG2 3.7Å; V77-I85 HydrophobicContact CG1-CD1 4.05Å; V77-I85 HydrophobicContact CG1-CG1 3.66Å; I85-I87 WeakPolarHBondContact CG2-O 3.26Å; I85-A88 HydrophobicContact CG2-CB 4.06Å; I85-F126 HydrophobicContact CD1-CB 4.01Å; I85-F126 HydrophobicContact CD1-CD2 4.42Å; I85-L129 HydrophobicContact CD1-CB 3.87Å; I85-L129 PolarHBondContact N-O 3.37Å; I85-L130 HydrophobicContact CB-CD2 4.05Å; I85-L130 HydrophobicContact CG2-CD2 4.1Å; I85-A131 VanDerWaalsContact O-CB 3.3Å; I85-A131 WeakPolarHBondContact O-CB 3.39Å; I85-A131 PolarHBondContact O-N 3.14Å; I85-A134 WeakPolarHBondContact O-CB 3.45Å
86N98.8Very high98.1Very high25 Ų2544.8 Ų44.813%0.13424%0.235CC..EExtended strand (participates in β ladder)trans-88.4-37177.9-58.692.7000112.4K2 L3 W31 A134 R135K2-N86 WeakPolarHBondContact CA-OD1 3.3Å; K2-N86 HydrophobicContact CB-CB 4.38Å; K2-N86 VanDerWaalsContact CB-OD1 3.25Å; K2-N86 WeakPolarHBondContact CB-OD1 3.03Å; L3-N86 PolarHBondContact N-OD1 3.44Å; L3-N86 WeakPolarHBondContact O-CA 3.22Å; L3-N86 WeakPolarHBondContact O-CB 3.36Å; L3-N86 PolarHBondContact O-N 3.25Å; W31-N86 HydrophobicContact CH2-CB 3.9Å; W31-N86 HydrophobicContact CZ3-CB 3.73Å; N86-A134 CarbonylContact O-C 3.17Å; N86-A134 WeakPolarHBondContact O-CA 3.32Å; N86-R135 PolarHBondContact O-N 3.5Å
87I98.9Very high97.8Very high2 Ų246.2 Ų46.21%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-133.3124178.7-64.7174.8000109.5L3 A4 F5 L21 Y25 W31 I85 V89 R135 A253L3-I87 PolarHBondContact O-N 3.24Å; A4-I87 CarbonylContact C-O 3.58Å; A4-I87 VanDerWaalsContact CA-O 3.31Å; A4-I87 WeakPolarHBondContact CA-O 3.4Å; A4-I87 HydrophobicContact CB-CB 3.71Å; A4-I87 HydrophobicContact CB-CD1 4.4Å; A4-I87 HydrophobicContact CB-CG2 4.15Å; F5-I87 PolarHBondContact N-O 3.49Å; L21-I87 HydrophobicContact CD1-CG2 4.36Å; L21-I87 HydrophobicContact CD2-CD1 4.01Å; Y25-I87 HydrophobicContact CD2-CD1 4.36Å; Y25-I87 HydrophobicContact CE2-CD1 3.55Å; W31-I87 HydrophobicContact CH2-CD1 3.75Å; W31-I87 HydrophobicContact CH2-CG1 4.13Å; W31-I87 HydrophobicContact CZ3-CD1 3.64Å; W31-I87 HydrophobicContact CZ3-CG1 3.93Å; I85-I87 WeakPolarHBondContact CG2-O 3.26Å; I87-V89 HydrophobicContact CG2-CG2 3.92Å; I87-R135 WeakPolarHBondContact CA-O 3.45Å; I87-A253 HydrophobicContact CD1-CB 4.49Å; I87-A253 VanDerWaalsContact CD1-O 3.3Å; I87-A253 WeakPolarHBondContact CD1-O 3.38Å; I87-A253 HydrophobicContact CG2-CB 3.81Å
88A98.9Very high97.2Very high0 Ų051.9 Ų51.90%029%0.288CS..EExtended strand (participates in β ladder)trans-122.7114.9173.300000109.6F5 I85 F126 L130 R135 V136 V137F5-A88 HydrophobicContact CD1-CB 4.48Å; F5-A88 HydrophobicContact CE1-CB 3.69Å; F5-A88 HydrophobicContact CE2-CB 4.23Å; F5-A88 HydrophobicContact CZ-CB 3.53Å; I85-A88 HydrophobicContact CG2-CB 4.06Å; A88-F126 HydrophobicContact CB-CD2 4.42Å; A88-F126 HydrophobicContact CB-CE2 3.79Å; A88-F126 HydrophobicContact CB-CZ 3.94Å; A88-L130 HydrophobicContact CB-CD2 4.5Å; A88-R135 PolarHBondContact N-O 2.92Å; A88-V136 HydrophobicContact CB-CG1 4.36Å; A88-V136 HydrophobicContact CB-CG2 4.39Å; A88-V136 CarbonylContact O-C 3.53Å; A88-V136 WeakPolarHBondContact O-CA 3.45Å; A88-V137 PolarHBondContact O-N 3.43Å
89V99Very high96.8Very high0 Ų053.3 Ų53.30%030%0.299CS..EExtended strand (participates in β ladder)trans-110.7106.2175.9-174.20000110.2F5 V6 T7 I17 I87 N91 V137 V139 A253F5-V89 PolarHBondContact O-N 3.22Å; V6-V89 HydrophobicContact CB-CB 4.31Å; V6-V89 HydrophobicContact CG1-CB 4.05Å; V6-V89 HydrophobicContact CG1-CG1 4.13Å; V6-V89 HydrophobicContact CG2-CB 4.06Å; V6-V89 HydrophobicContact CG2-CG2 4.23Å; T7-V89 PolarHBondContact N-O 2.85Å; T7-V89 PolarHBondContact OG1-O 2.95Å; I17-V89 HydrophobicContact CD1-CG1 4.07Å; I17-V89 HydrophobicContact CG2-CG1 4.38Å; I17-V89 HydrophobicContact CG2-CG2 4.25Å; I87-V89 HydrophobicContact CG2-CG2 3.92Å; V89-N91 HydrophobicContact CG1-CB 4.14Å; V89-N91 PolarHBondContact O-N 2.86Å; V89-N91 VanDerWaalsContact O-N 3.09Å; V89-V137 CarbonylContact C-O 3.57Å; V89-V137 WeakPolarHBondContact CA-O 3.49Å; V89-V137 HydrophobicContact CG1-CB 4.2Å; V89-V137 HydrophobicContact CG1-CG1 4.42Å; V89-V137 HydrophobicContact CG2-CB 4.21Å; V89-V137 HydrophobicContact CG2-CG2 4.44Å; V89-V139 HydrophobicContact CG1-CG2 4.1Å; V89-A253 HydrophobicContact CG2-CB 4.28Å
90N98.9Very high96.5Very high3 Ų345.9 Ų45.92%0.01628%0.278CS..EExtended strand (participates in β ladder)trans-79.783.9171.8-69.4-48.6000109.6T119 M123 V137 V139N90-T119 HydrophobicContact CB-CG2 3.93Å; N90-M123 VanDerWaalsContact ND2-CG 3.33Å; N90-M123 WeakPolarHBondContact ND2-CG 3.26Å; N90-V137 PolarHBondContact N-O 3.07Å; N90-V139 PolarHBondContact O-N 3.42Å
91N98.8Very high96.4Very high23 Ų2346.6 Ų46.612%0.12330%0.296CS..  trans-99.5-29.2-179.6160.787.8000113.5V6 T7 G8 G14 V89 G93 V139V6-N91 HydrophobicContact CG1-CB 3.99Å; T7-N91 WeakPolarHBondContact O-CB 2.99Å; T7-N91 PolarHBondContact O-ND2 2.95Å; T7-N91 PolarHBondContact OG1-N 2.88Å; G8-N91 PolarHBondContact O-ND2 2.96Å; G14-N91 VanDerWaalsContact CA-ND2 3.31Å; G14-N91 WeakPolarHBondContact CA-ND2 3.25Å; G14-N91 PolarHBondContact N-OD1 3.01Å; V89-N91 HydrophobicContact CG1-CB 4.14Å; V89-N91 PolarHBondContact O-N 2.86Å; V89-N91 VanDerWaalsContact O-N 3.09Å; N91-G93 PolarHBondContact O-N 3.31Å; N91-V139 HydrophobicContact CB-CB 4.45Å; N91-V139 HydrophobicContact CB-CG2 3.85Å
92A97.6Very high96.3Very high18 Ų1846.9 Ų46.915%0.14930%0.301CS..  trans-52.5132.5-177.400000111.8T7 I64T7-A92 PolarHBondContact O-N 2.89Å; T7-A92 VanDerWaalsContact O-N 3.15Å; T7-A92 WeakPolarHBondContact OG1-CB 3.22Å; T7-A92 PolarHBondContact OG1-N 2.82Å; I64-A92 HydrophobicContact CD1-CB 3.87Å; I64-A92 HydrophobicContact CG1-CB 4.36Å
93G97.4Very high96.3Very high23 Ų2345.6 Ų45.624%0.23729%0.293CS..  trans-174.2161.1177.900000111.8N91 N115 M233N91-G93 PolarHBondContact O-N 3.31Å; G93-N115 WeakPolarHBondContact CA-OD1 3.35Å; G93-M233 WeakPolarHBondContact O-CE 3.38Å
94I97.3Very high96.3Very high45 Ų4541.9 Ų41.923%0.23127%0.271CS..  trans-129.9158.4-179.164.1174000110.5V110 T114 N115 Y194I94-V110 HydrophobicContact CD1-CG1 3.6Å; I94-T114 HydrophobicContact CG1-CG2 4.35Å; I94-T114 HydrophobicContact CG2-CG2 4.27Å; I94-N115 PolarHBondContact N-OD1 2.92Å; I94-N115 PolarHBondContact O-ND2 2.66Å; I94-N115 PolarHBondContact O-OD1 2.86Å; I94-Y194 WeakPolarHBondContact O-CD2 3.36Å
95A96.1Very high96.3Very high33 Ų3341.7 Ų41.727%0.27327%0.269SS..  trans-146.9140.2167.500000108.1Y194 M233A95-Y194 HydrophobicContact CB-CD2 3.68Å; A95-Y194 HydrophobicContact CB-CE2 4.03Å; A95-Y194 HydrophobicContact CB-CG 4.17Å; A95-M233 HydrophobicContact CB-CG 3.91Å; A95-M233 HydrophobicContact CB-SD 4.14Å
96Y96Very high96.3Very high60 Ų6045.3 Ų45.324%0.23529%0.286CS..  trans-69.1150.6166.9-79.9-102.6000110S100 A102 E106 Q107 V110Y96-S100 WeakPolarHBondContact CD1-OG 3.48Å; Y96-A102 HydrophobicContact CD1-CB 3.93Å; Y96-A102 HydrophobicContact CE1-CB 3.47Å; Y96-A102 VanDerWaalsContact CE1-CB 3.47Å; Y96-E106 PolarHBondContact OH-OE1 3.4Å; Y96-Q107 HydrophobicContact CD1-CG 3.85Å; Y96-Q107 HydrophobicContact CD2-CB 3.96Å; Y96-Q107 HydrophobicContact CD2-CG 3.94Å; Y96-Q107 HydrophobicContact CE1-CG 4.09Å; Y96-Q107 HydrophobicContact CE2-CB 4.17Å; Y96-Q107 HydrophobicContact CE2-CG 4.21Å; Y96-Q107 HydrophobicContact CG-CB 4.25Å; Y96-Q107 HydrophobicContact CG-CG 3.74Å; Y96-V110 HydrophobicContact CE2-CB 4.01Å; Y96-V110 HydrophobicContact CE2-CG1 4.02Å
97K92.4Very high96.3Very high75 Ų7546 Ų4633%0.32629%0.288SS..  trans-66.2148.1173.4-60.1-57-171.2172.60110.2N99 S100 D232 M233 S235K97-N99 WeakPolarHBondContact CB-OD1 3.5Å; K97-N99 PolarHBondContact O-N 3.45Å; K97-N99 VanDerWaalsContact O-N 3.1Å; K97-S100 VanDerWaalsContact O-CB 3.24Å; K97-S100 WeakPolarHBondContact O-CB 3.33Å; K97-S100 PolarHBondContact O-N 3.09Å; K97-D232 PolarHBondContact NZ-O 3.22Å; K97-M233 PolarHBondContact NZ-O 2.82Å; K97-S235 WeakPolarHBondContact CD-OG 3.43Å; K97-S235 WeakPolarHBondContact CE-OG 3.2Å; K97-S235 PolarHBondContact NZ-OG 3.42Å
98A87.4Confident96.3Very high119 Ų11946 Ų4698%0.98329%0.288SS*.THydrogen-bonded Turntrans-57.2-28.1179.500000113.5
99N89.1Confident96.2Very high143 Ų14351.8 Ų51.877%0.76531%0.31SS*.THydrogen-bonded Turntrans-101.418.617768.1-29.9000113.3K97 A101K97-N99 WeakPolarHBondContact CB-OD1 3.5Å; K97-N99 PolarHBondContact O-N 3.45Å; K97-N99 VanDerWaalsContact O-N 3.1Å; N99-A101 PolarHBondContact O-N 3.24Å
100S92.7Very high96.2Very high42 Ų4253.6 Ų53.629%0.29432%0.321SS..  trans-64.3135.1178-176.30000111.3Y96 K97 A102Y96-S100 WeakPolarHBondContact CD1-OG 3.48Å; K97-S100 VanDerWaalsContact O-CB 3.24Å; K97-S100 WeakPolarHBondContact O-CB 3.33Å; K97-S100 PolarHBondContact O-N 3.09Å; S100-A102 VanDerWaalsContact C-N 3.31Å; S100-A102 PolarHBondContact OG-N 3.22Å
101A95.4Very high96.2Very high105 Ų10553.5 Ų53.587%0.86832%0.321SS*.  trans-85.40.1173.800000113.5N99N99-A101 PolarHBondContact O-N 3.24Å
102A96.8Very high96.2Very high20 Ų2052.7 Ų52.717%0.16532%0.316CS..SBendtrans-64.5138.6179.900000110.8Y96 S100 Q107Y96-A102 HydrophobicContact CD1-CB 3.93Å; Y96-A102 HydrophobicContact CE1-CB 3.47Å; Y96-A102 VanDerWaalsContact CE1-CB 3.47Å; S100-A102 VanDerWaalsContact C-N 3.31Å; S100-A102 PolarHBondContact OG-N 3.22Å; A102-Q107 HydrophobicContact CB-CG 4.09Å; A102-Q107 PolarHBondContact O-NE2 3.01Å
103P97.2Very high96.3Very high87 Ų8755 Ų5557%0.56533%0.326SS*.  trans-54.7142.5176.3-25.134.2000112.1G105 E106 Q107P103-G105 VanDerWaalsContact C-N 3.26Å; P103-G105 PolarHBondContact O-N 3.43Å; P103-E106 HydrophobicContact CB-CB 4.5Å; P103-E106 WeakPolarHBondContact O-CA 3.03Å; P103-E106 WeakPolarHBondContact O-CB 3.19Å; P103-E106 PolarHBondContact O-N 3.07Å; P103-Q107 PolarHBondContact O-N 2.94Å
104F97.3Very high96.3Very high45 Ų4554.9 Ų54.920%0.19732%0.321CS..Hα-helixtrans-58.8-36.4-176.4-176.1-112.9000113.1E106 Q107 A108 F175 A179 Y184 A193F104-E106 VanDerWaalsContact C-N 3.34Å; F104-E106 PolarHBondContact O-N 2.64Å; F104-Q107 WeakPolarHBondContact O-CB 3.44Å; F104-Q107 PolarHBondContact O-N 3.11Å; F104-A108 WeakPolarHBondContact O-CB 3.31Å; F104-A108 PolarHBondContact O-N 3.23Å; F104-F175 HydrophobicContact CE1-CE2 4.28Å; F104-F175 HydrophobicContact CE1-CZ 4.34Å; F104-F175 HydrophobicContact CZ-CE2 4.21Å; F104-F175 HydrophobicContact CZ-CZ 4.04Å; F104-A179 HydrophobicContact CD1-CB 3.74Å; F104-A179 HydrophobicContact CE1-CB 3.68Å; F104-Y184 AromaticContact CD1-CD1 3.82Å; F104-Y184 HydrophobicContact CD1-CD1 3.82Å; F104-Y184 AromaticContact CD1-CE1 3.53Å; F104-Y184 HydrophobicContact CD1-CE1 3.53Å; F104-Y184 HydrophobicContact CD1-CG 4.41Å; F104-Y184 AromaticContact CD1-CZ 3.92Å; F104-Y184 AromaticContact CE1-CD1 3.71Å; F104-Y184 HydrophobicContact CE1-CD1 3.71Å; F104-Y184 AromaticContact CE1-CD2 3.9Å; F104-Y184 HydrophobicContact CE1-CD2 3.9Å; F104-Y184 AromaticContact CE1-CE1 3.65Å; F104-Y184 HydrophobicContact CE1-CE1 3.65Å; F104-Y184 AromaticContact CE1-CE2 3.87Å; F104-Y184 HydrophobicContact CE1-CE2 3.87Å; F104-Y184 AromaticContact CE1-CG 3.83Å; F104-Y184 HydrophobicContact CE1-CG 3.83Å; F104-Y184 AromaticContact CE1-CZ 3.74Å; F104-Y184 HydrophobicContact CZ-CE2 4.38Å; F104-A193 HydrophobicContact CE2-CB 4.07Å; F104-A193 HydrophobicContact CZ-CB 4.45Å
105G98.1Very high96.4Very high7 Ų752.8 Ų52.87%0.07231%0.31CS..Hα-helixtrans-58.7-42.2172.500000113.3P103 A108 R109 A179P103-G105 VanDerWaalsContact C-N 3.26Å; P103-G105 PolarHBondContact O-N 3.43Å; G105-A108 PolarHBondContact O-N 3.15Å; G105-R109 WeakPolarHBondContact O-CB 3.43Å; G105-R109 PolarHBondContact O-N 3.39Å; G105-A179 WeakPolarHBondContact CA-O 3.26Å; G105-A179 PolarHBondContact N-O 3.41Å
106E98.3Very high96.5Very high77 Ų7751.3 Ų51.336%0.3630%0.297SS..Hα-helixtrans-64.1-45.8173.6-170.8-163.9122.300110.9Y96 P103 F104 A108 R109 V110Y96-E106 PolarHBondContact OH-OE1 3.4Å; P103-E106 HydrophobicContact CB-CB 4.5Å; P103-E106 WeakPolarHBondContact O-CA 3.03Å; P103-E106 WeakPolarHBondContact O-CB 3.19Å; P103-E106 PolarHBondContact O-N 3.07Å; F104-E106 VanDerWaalsContact C-N 3.34Å; F104-E106 PolarHBondContact O-N 2.64Å; E106-A108 VanDerWaalsContact C-N 3.28Å; E106-A108 PolarHBondContact O-N 2.94Å; E106-R109 PolarHBondContact O-N 2.66Å; E106-V110 HydrophobicContact CG-CG2 4.1Å; E106-V110 WeakPolarHBondContact O-CB 3.43Å; E106-V110 WeakPolarHBondContact O-CG2 3.15Å; E106-V110 PolarHBondContact O-N 3.37Å
107Q98.4Very high96.7Very high40 Ų4050.3 Ų50.319%0.18730%0.298CS..Hα-helixtrans-57.5-43.4177.3-60.7-172.432.900111.4Y96 A102 P103 F104 T111 A193Y96-Q107 HydrophobicContact CD1-CG 3.85Å; Y96-Q107 HydrophobicContact CD2-CB 3.96Å; Y96-Q107 HydrophobicContact CD2-CG 3.94Å; Y96-Q107 HydrophobicContact CE1-CG 4.09Å; Y96-Q107 HydrophobicContact CE2-CB 4.17Å; Y96-Q107 HydrophobicContact CE2-CG 4.21Å; Y96-Q107 HydrophobicContact CG-CB 4.25Å; Y96-Q107 HydrophobicContact CG-CG 3.74Å; A102-Q107 HydrophobicContact CB-CG 4.09Å; A102-Q107 PolarHBondContact O-NE2 3.01Å; P103-Q107 PolarHBondContact O-N 2.94Å; F104-Q107 WeakPolarHBondContact O-CB 3.44Å; F104-Q107 PolarHBondContact O-N 3.11Å; Q107-T111 WeakPolarHBondContact O-CB 3.44Å; Q107-T111 PolarHBondContact O-N 3.11Å; Q107-T111 PolarHBondContact O-OG1 3.11Å; Q107-A193 HydrophobicContact CB-CB 4.3Å
108A98.5Very high97Very high0 Ų046.9 Ų46.90%028%0.283CS..Hα-helixtrans-61.9-56.2175.500000111.4F104 G105 E106 V110 T111 V112 F175 A179 A193F104-A108 WeakPolarHBondContact O-CB 3.31Å; F104-A108 PolarHBondContact O-N 3.23Å; G105-A108 PolarHBondContact O-N 3.15Å; E106-A108 VanDerWaalsContact C-N 3.28Å; E106-A108 PolarHBondContact O-N 2.94Å; A108-V110 PolarHBondContact O-N 2.85Å; A108-T111 PolarHBondContact O-N 3.27Å; A108-V112 WeakPolarHBondContact O-CB 3.22Å; A108-V112 VanDerWaalsContact O-CG2 3.22Å; A108-V112 WeakPolarHBondContact O-CG2 3.42Å; A108-V112 PolarHBondContact O-N 3.3Å; A108-F175 HydrophobicContact CB-CE1 3.71Å; A108-F175 HydrophobicContact CB-CZ 3.9Å; A108-A179 HydrophobicContact CB-CB 3.42Å; A108-A179 VanDerWaalsContact CB-CB 3.42Å; A108-A193 HydrophobicContact CB-CB 4.18Å
109R98.6Very high97.5Very high123 Ų12341.3 Ų41.346%0.46424%0.237SC..Hα-helixtrans-56.3-51.3-178.1-175.8-175.158.5762.7112.1G105 E106 N113 V176 E180G105-R109 WeakPolarHBondContact O-CB 3.43Å; G105-R109 PolarHBondContact O-N 3.39Å; E106-R109 PolarHBondContact O-N 2.66Å; R109-N113 VanDerWaalsContact O-CB 3.24Å; R109-N113 WeakPolarHBondContact O-CB 3.46Å; R109-N113 PolarHBondContact O-N 3.03Å; R109-V176 HydrophobicContact CB-CG1 3.87Å; R109-V176 HydrophobicContact CG-CG1 4.31Å; R109-E180 WeakPolarHBondContact CD-OE1 3.38Å
110V98.5Very high98Very high37 Ų3734.5 Ų34.522%0.22420%0.201CC..Hα-helixtrans-69.3-46.5-175.5172.80000110.9I94 Y96 E106 A108 N113 T114I94-V110 HydrophobicContact CD1-CG1 3.6Å; Y96-V110 HydrophobicContact CE2-CB 4.01Å; Y96-V110 HydrophobicContact CE2-CG1 4.02Å; E106-V110 HydrophobicContact CG-CG2 4.1Å; E106-V110 WeakPolarHBondContact O-CB 3.43Å; E106-V110 WeakPolarHBondContact O-CG2 3.15Å; E106-V110 PolarHBondContact O-N 3.37Å; A108-V110 PolarHBondContact O-N 2.85Å; V110-N113 PolarHBondContact O-N 3.21Å; V110-T114 PolarHBondContact O-N 3.19Å
111T98.6Very high98.3Very high2 Ų234.4 Ų34.41%0.01220%0.197CC..Hα-helixtrans-67.6-42.9-178.1-52.50000112Q107 A108 N115 Y194Q107-T111 WeakPolarHBondContact O-CB 3.44Å; Q107-T111 PolarHBondContact O-N 3.11Å; Q107-T111 PolarHBondContact O-OG1 3.11Å; A108-T111 PolarHBondContact O-N 3.27Å; T111-N115 VanDerWaalsContact CG2-ND2 3.29Å; T111-N115 WeakPolarHBondContact CG2-ND2 3.27Å; T111-N115 WeakPolarHBondContact O-CB 3.2Å; T111-N115 PolarHBondContact O-N 2.8Å; T111-Y194 HydrophobicContact CG2-CD2 4.24Å
112V98.8Very high98.4Very high5 Ų529.4 Ų29.43%0.0316%0.155CC..Hα-helixtrans-65.3-41.7177.4167.90000111A108 T114 F116 T117 V172 F175 V176A108-V112 WeakPolarHBondContact O-CB 3.22Å; A108-V112 VanDerWaalsContact O-CG2 3.22Å; A108-V112 WeakPolarHBondContact O-CG2 3.42Å; A108-V112 PolarHBondContact O-N 3.3Å; V112-T114 PolarHBondContact O-N 2.95Å; V112-F116 HydrophobicContact CG1-CB 4.36Å; V112-F116 HydrophobicContact CG1-CD1 4.17Å; V112-F116 WeakPolarHBondContact O-CA 3.5Å; V112-F116 WeakPolarHBondContact O-CB 3.32Å; V112-F116 PolarHBondContact O-N 2.91Å; V112-T117 PolarHBondContact O-N 3.18Å; V112-V172 HydrophobicContact CG1-CG1 3.48Å; V112-V172 VanDerWaalsContact CG1-CG1 3.48Å; V112-V172 HydrophobicContact CG2-CG1 4.27Å; V112-F175 HydrophobicContact CG2-CD1 4.02Å; V112-F175 HydrophobicContact CG2-CE1 3.96Å; V112-V176 HydrophobicContact CB-CG2 3.73Å; V112-V176 HydrophobicContact CG1-CG2 3.73Å; V112-V176 HydrophobicContact CG2-CG2 3.78Å
113N98.8Very high98.5Very high67 Ų6728.4 Ų28.436%0.35815%0.147SC..Iπ-helixtrans-55.1-53.9178.5-175.958.1000111.1R109 V110 T117 S118R109-N113 VanDerWaalsContact O-CB 3.24Å; R109-N113 WeakPolarHBondContact O-CB 3.46Å; R109-N113 PolarHBondContact O-N 3.03Å; V110-N113 PolarHBondContact O-N 3.21Å; N113-T117 PolarHBondContact O-N 2.81Å; N113-S118 VanDerWaalsContact O-CB 3.24Å; N113-S118 WeakPolarHBondContact O-CB 3.4Å; N113-S118 PolarHBondContact O-N 3.13Å; N113-S118 PolarHBondContact O-OG 3.2Å
114T98.5Very high98.6Very high21 Ų2128.7 Ų28.713%0.12914%0.141CC..Iπ-helixtrans-71.7-53.2-178.6-54.90000112.8I64 T65 I94 V110 V112 F116 T119I64-T114 HydrophobicContact CD1-CG2 4.18Å; I64-T114 WeakPolarHBondContact CD1-O 3.3Å; T65-T114 HydrophobicContact CG2-CG2 4.05Å; T65-T114 WeakPolarHBondContact CG2-OG1 3.46Å; I94-T114 HydrophobicContact CG1-CG2 4.35Å; I94-T114 HydrophobicContact CG2-CG2 4.27Å; V110-T114 PolarHBondContact O-N 3.19Å; V112-T114 PolarHBondContact O-N 2.95Å; T114-F116 PolarHBondContact O-N 3.16Å; T114-T119 PolarHBondContact O-OG1 2.99Å; T114-T119 VanDerWaalsContact O-OG1 3.05Å
115N98.8Very high98.7Very high0 Ų029.3 Ų29.30%015%0.145CC..Iπ-helixtrans-76.4-24.7-168-67-0.7000113.5G93 I94 T111 T119 S197 L201G93-N115 WeakPolarHBondContact CA-OD1 3.35Å; I94-N115 PolarHBondContact N-OD1 2.92Å; I94-N115 PolarHBondContact O-ND2 2.66Å; I94-N115 PolarHBondContact O-OD1 2.86Å; T111-N115 VanDerWaalsContact CG2-ND2 3.29Å; T111-N115 WeakPolarHBondContact CG2-ND2 3.27Å; T111-N115 WeakPolarHBondContact O-CB 3.2Å; T111-N115 PolarHBondContact O-N 2.8Å; N115-T119 PolarHBondContact O-OG1 2.86Å; N115-S197 WeakPolarHBondContact CB-OG 3.28Å; N115-S197 PolarHBondContact ND2-OG 3.23Å; N115-S197 VanDerWaalsContact ND2-OG 3.08Å; N115-L201 WeakPolarHBondContact O-CD2 3.44Å
116F98.9Very high98.7Very high2 Ų229 Ų291%0.00914%0.141CC..Iπ-helixtrans-116.5-75.6-178.2173.2-106.8000109.4V112 T114 S118 T119 I120 L168 R169 V172 G200 A204V112-F116 HydrophobicContact CG1-CB 4.36Å; V112-F116 HydrophobicContact CG1-CD1 4.17Å; V112-F116 WeakPolarHBondContact O-CA 3.5Å; V112-F116 WeakPolarHBondContact O-CB 3.32Å; V112-F116 PolarHBondContact O-N 2.91Å; T114-F116 PolarHBondContact O-N 3.16Å; F116-S118 PolarHBondContact O-N 3.23Å; F116-T119 WeakPolarHBondContact O-CB 3.2Å; F116-T119 PolarHBondContact O-N 3.3Å; F116-I120 HydrophobicContact CD1-CD1 4.34Å; F116-I120 HydrophobicContact CD2-CD1 4.33Å; F116-I120 HydrophobicContact CD2-CG2 4.22Å; F116-I120 HydrophobicContact CE1-CD1 3.78Å; F116-I120 HydrophobicContact CE2-CD1 3.79Å; F116-I120 HydrophobicContact CE2-CG2 4.21Å; F116-I120 HydrophobicContact CZ-CD1 3.48Å; F116-I120 VanDerWaalsContact CZ-CD1 3.48Å; F116-I120 WeakPolarHBondContact O-CG1 3.28Å; F116-I120 PolarHBondContact O-N 3.24Å; F116-L168 HydrophobicContact CE2-CD2 3.91Å; F116-L168 HydrophobicContact CE2-CG 4.09Å; F116-L168 HydrophobicContact CZ-CD2 4.14Å; F116-L168 HydrophobicContact CZ-CG 3.9Å; F116-R169 HydrophobicContact CE1-CG 4.35Å; F116-R169 HydrophobicContact CZ-CG 4.32Å; F116-V172 HydrophobicContact CD1-CB 4.01Å; F116-V172 HydrophobicContact CD1-CG1 3.55Å; F116-V172 HydrophobicContact CD1-CG2 4.33Å; F116-V172 HydrophobicContact CE1-CB 3.66Å; F116-V172 HydrophobicContact CE1-CG1 3.76Å; F116-V172 HydrophobicContact CE1-CG2 3.9Å; F116-V172 HydrophobicContact CE2-CG2 4.35Å; F116-V172 HydrophobicContact CG-CG1 4.2Å; F116-V172 HydrophobicContact CZ-CB 4.17Å; F116-V172 HydrophobicContact CZ-CG2 3.91Å; F116-G200 VanDerWaalsContact CE2-C 3.47Å; F116-G200 WeakPolarHBondContact CE2-O 3.39Å; F116-A204 HydrophobicContact CE2-CB 4.14Å
117T98.8Very high98.7Very high39 Ų3926.2 Ų26.224%0.23913%0.129CC..Iπ-helixtrans-52.8-57.6-167.9-52.70000112.4V112 N113 T119 I120 D121V112-T117 PolarHBondContact O-N 3.18Å; N113-T117 PolarHBondContact O-N 2.81Å; T117-T119 VanDerWaalsContact C-N 3.3Å; T117-T119 PolarHBondContact O-N 3.36Å; T117-I120 WeakPolarHBondContact O-CG1 3.45Å; T117-I120 PolarHBondContact O-N 3.09Å; T117-D121 WeakPolarHBondContact O-CB 3.49Å; T117-D121 PolarHBondContact O-N 3.15Å
118S98.8Very high98.7Very high3 Ų328.6 Ų28.62%0.02115%0.148CC..Hα-helixtrans-65.8-31.3-179-63.80000113.4I64 T65 N113 F116 F122I64-S118 VanDerWaalsContact O-CB 3.31Å; I64-S118 WeakPolarHBondContact O-CB 3.27Å; T65-S118 WeakPolarHBondContact CA-OG 3.45Å; N113-S118 VanDerWaalsContact O-CB 3.24Å; N113-S118 WeakPolarHBondContact O-CB 3.4Å; N113-S118 PolarHBondContact O-N 3.13Å; N113-S118 PolarHBondContact O-OG 3.2Å; F116-S118 PolarHBondContact O-N 3.23Å; S118-F122 WeakPolarHBondContact O-CB 3.37Å; S118-F122 PolarHBondContact O-N 3.19Å; S118-F122 VanDerWaalsContact O-N 3.1Å
119T98.9Very high98.7Very high3 Ų330 Ų302%0.01816%0.155CC..Hα-helixtrans-69.3-43.9176.2-60.20000110.6N90 T114 N115 F116 T117 F122 M123 L201N90-T119 HydrophobicContact CB-CG2 3.93Å; T114-T119 PolarHBondContact O-OG1 2.99Å; T114-T119 VanDerWaalsContact O-OG1 3.05Å; N115-T119 PolarHBondContact O-OG1 2.86Å; F116-T119 WeakPolarHBondContact O-CB 3.2Å; F116-T119 PolarHBondContact O-N 3.3Å; T117-T119 VanDerWaalsContact C-N 3.3Å; T117-T119 PolarHBondContact O-N 3.36Å; T119-F122 PolarHBondContact O-N 2.87Å; T119-M123 VanDerWaalsContact O-CG 3.31Å; T119-M123 WeakPolarHBondContact O-CG 3.36Å; T119-M123 PolarHBondContact O-N 3.05Å; T119-L201 HydrophobicContact CG2-CD1 3.59Å
120I98.6Very high98.7Very high0 Ų024.5 Ų24.50%014%0.135CC..Hα-helixtrans-75-34.1-179.762.9167.4000112.4F116 T117 F122 M123 E124 L165 R169 A204 F208F116-I120 HydrophobicContact CD1-CD1 4.34Å; F116-I120 HydrophobicContact CD2-CD1 4.33Å; F116-I120 HydrophobicContact CD2-CG2 4.22Å; F116-I120 HydrophobicContact CE1-CD1 3.78Å; F116-I120 HydrophobicContact CE2-CD1 3.79Å; F116-I120 HydrophobicContact CE2-CG2 4.21Å; F116-I120 HydrophobicContact CZ-CD1 3.48Å; F116-I120 VanDerWaalsContact CZ-CD1 3.48Å; F116-I120 WeakPolarHBondContact O-CG1 3.28Å; F116-I120 PolarHBondContact O-N 3.24Å; T117-I120 WeakPolarHBondContact O-CG1 3.45Å; T117-I120 PolarHBondContact O-N 3.09Å; I120-F122 VanDerWaalsContact C-N 3.32Å; I120-F122 PolarHBondContact O-N 3.24Å; I120-M123 PolarHBondContact O-N 2.91Å; I120-E124 PolarHBondContact O-N 3.13Å; I120-L165 HydrophobicContact CD1-CD1 4.2Å; I120-R169 HydrophobicContact CD1-CG 3.68Å; I120-R169 VanDerWaalsContact CG1-NH2 3.3Å; I120-A204 HydrophobicContact CG2-CB 3.49Å; I120-A204 VanDerWaalsContact CG2-CB 3.49Å; I120-F208 HydrophobicContact CB-CE2 4.18Å; I120-F208 HydrophobicContact CB-CZ 4.46Å; I120-F208 HydrophobicContact CG2-CE2 4.2Å
121D98.8Very high98.7Very high39 Ų3922.9 Ų22.921%0.20913%0.125CC..Hα-helixtrans-57.9-48.4170.3-66.2-9.6000109.8T117 M123 E124 E125 R169T117-D121 WeakPolarHBondContact O-CB 3.49Å; T117-D121 PolarHBondContact O-N 3.15Å; D121-M123 VanDerWaalsContact C-N 3.32Å; D121-M123 PolarHBondContact O-N 3.01Å; D121-E124 PolarHBondContact O-N 2.69Å; D121-E125 VanDerWaalsContact O-CG 3.23Å; D121-E125 WeakPolarHBondContact O-CG 3.14Å; D121-E125 PolarHBondContact O-N 3.02Å; D121-R169 IonicContact OD1-CZ 3.9Å; D121-R169 IonicContact OD1-NH1 2.66Å; D121-R169 PolarHBondContact OD1-NH1 2.91Å; D121-R169 IonicContact OD1-NH2 3.32Å; D121-R169 PolarHBondContact OD1-NH2 3.12Å
122F98.8Very high98.7Very high0 Ų028.7 Ų28.70%015%0.151CC..Hα-helixtrans-62.7-39.6178-171.4-136.3000112.3F5 T7 L62 I64 R70 F73 L74 S118 T119 I120 E125 F126F5-F122 AromaticContact CE2-CE1 3.65Å; F5-F122 HydrophobicContact CE2-CE1 3.65Å; F5-F122 HydrophobicContact CE2-CZ 4.12Å; F5-F122 AromaticContact CZ-CE1 3.79Å; F5-F122 HydrophobicContact CZ-CE1 3.79Å; F5-F122 HydrophobicContact CZ-CZ 4.01Å; T7-F122 HydrophobicContact CG2-CD1 4.29Å; T7-F122 HydrophobicContact CG2-CE1 3.81Å; L62-F122 HydrophobicContact CD1-CE2 4.33Å; L62-F122 HydrophobicContact CD1-CZ 4.27Å; L62-F122 HydrophobicContact CD2-CE1 3.73Å; L62-F122 HydrophobicContact CD2-CE2 4.45Å; L62-F122 HydrophobicContact CD2-CZ 3.61Å; I64-F122 HydrophobicContact CG2-CD1 4.14Å; R70-F122 HydrophobicContact CB-CD2 3.99Å; R70-F122 HydrophobicContact CB-CE2 4.3Å; R70-F122 HydrophobicContact CG-CD2 3.87Å; R70-F122 HydrophobicContact CG-CE2 4.42Å; R70-F122 HydrophobicContact CG-CG 4.42Å; F73-F122 HydrophobicContact CD1-CE2 4.01Å; F73-F122 AromaticContact CD1-CZ 3.68Å; F73-F122 HydrophobicContact CD1-CZ 3.68Å; F73-F122 AromaticContact CE1-CZ 3.81Å; F73-F122 HydrophobicContact CE1-CZ 3.81Å; L74-F122 HydrophobicContact CD1-CD2 4.37Å; L74-F122 HydrophobicContact CD1-CE2 4.11Å; L74-F122 HydrophobicContact CD2-CE2 3.83Å; L74-F122 HydrophobicContact CD2-CZ 4.38Å; L74-F122 HydrophobicContact CG-CE2 3.99Å; S118-F122 WeakPolarHBondContact O-CB 3.37Å; S118-F122 PolarHBondContact O-N 3.19Å; S118-F122 VanDerWaalsContact O-N 3.1Å; T119-F122 PolarHBondContact O-N 2.87Å; I120-F122 VanDerWaalsContact C-N 3.32Å; I120-F122 PolarHBondContact O-N 3.24Å; F122-E125 PolarHBondContact O-N 2.91Å; F122-F126 AromaticContact CD1-CD1 3.72Å; F122-F126 HydrophobicContact CD1-CD1 3.72Å; F122-F126 AromaticContact CD1-CE1 3.89Å; F122-F126 HydrophobicContact CD1-CE1 3.89Å; F122-F126 HydrophobicContact CD2-CD1 4.17Å; F122-F126 AromaticContact CE1-CD1 3.79Å; F122-F126 HydrophobicContact CE1-CD1 3.79Å; F122-F126 HydrophobicContact CE1-CE1 4.13Å; F122-F126 HydrophobicContact CE2-CD1 4.25Å; F122-F126 AromaticContact CG-CD1 3.92Å; F122-F126 HydrophobicContact CG-CD1 3.92Å; F122-F126 HydrophobicContact CG-CE1 4.37Å; F122-F126 HydrophobicContact CZ-CD1 4.06Å; F122-F126 WeakPolarHBondContact O-CD1 3.3Å; F122-F126 PolarHBondContact O-N 2.9Å
123M98.8Very high98.7Very high0 Ų030.7 Ų30.70%016%0.159CC..Hα-helixtrans-59.8-47.7174.4-73.3-179.372.600112.2N90 T119 I120 D121 E125 F126 I127 V136 F208 I221N90-M123 VanDerWaalsContact ND2-CG 3.33Å; N90-M123 WeakPolarHBondContact ND2-CG 3.26Å; T119-M123 VanDerWaalsContact O-CG 3.31Å; T119-M123 WeakPolarHBondContact O-CG 3.36Å; T119-M123 PolarHBondContact O-N 3.05Å; I120-M123 PolarHBondContact O-N 2.91Å; D121-M123 VanDerWaalsContact C-N 3.32Å; D121-M123 PolarHBondContact O-N 3.01Å; M123-E125 PolarHBondContact O-N 2.94Å; M123-F126 VanDerWaalsContact CA-CE1 3.46Å; M123-F126 HydrophobicContact CB-CE1 4.13Å; M123-F126 HydrophobicContact CB-CZ 4.25Å; M123-F126 HydrophobicContact CG-CE1 3.67Å; M123-F126 HydrophobicContact CG-CZ 3.71Å; M123-F126 PolarHBondContact O-N 3.25Å; M123-I127 HydrophobicContact CB-CD1 4.27Å; M123-I127 VanDerWaalsContact O-CB 3.29Å; M123-I127 WeakPolarHBondContact O-CB 3.44Å; M123-I127 WeakPolarHBondContact O-CD1 3.22Å; M123-I127 WeakPolarHBondContact O-CG1 3.43Å; M123-I127 PolarHBondContact O-N 3.06Å; M123-V136 HydrophobicContact CE-CG1 4.24Å; M123-F208 HydrophobicContact CB-CD2 4.41Å; M123-F208 HydrophobicContact CB-CE2 3.83Å; M123-F208 HydrophobicContact CB-CZ 3.9Å; M123-F208 HydrophobicContact CE-CB 4.16Å; M123-F208 HydrophobicContact CE-CD2 3.37Å; M123-F208 HydrophobicContact CE-CE2 3.91Å; M123-F208 HydrophobicContact CE-CG 3.91Å; M123-F208 HydrophobicContact CG-CE2 4.49Å; M123-F208 HydrophobicContact SD-CD2 3.94Å; M123-F208 HydrophobicContact SD-CE2 3.91Å; M123-I221 HydrophobicContact CE-CD1 4.4Å
124E98.7Very high98.7Very high92 Ų9227.5 Ų27.543%0.4314%0.142SC..Hα-helixtrans-57.7-38.8175.8-71.1-175.8106.300111.6I120 D121 P128 L165 R169 F208I120-E124 PolarHBondContact O-N 3.13Å; D121-E124 PolarHBondContact O-N 2.69Å; E124-P128 VanDerWaalsContact O-CD 3.29Å; E124-P128 WeakPolarHBondContact O-CD 3.44Å; E124-L165 HydrophobicContact CG-CD2 4.02Å; E124-L165 WeakPolarHBondContact OE1-CD2 3.41Å; E124-R169 IonicContact OE2-CZ 2.71Å; E124-R169 IonicContact OE2-NE 3.63Å; E124-R169 IonicContact OE2-NH2 3.58Å; E124-R169 PolarHBondContact OE2-NH2 2.99Å; E124-F208 HydrophobicContact CG-CE1 3.79Å; E124-F208 HydrophobicContact CG-CZ 3.72Å
125E98.8Very high98.7Very high59 Ų5927.1 Ų27.128%0.27614%0.138SC..Hα-helixtrans-72.1-38.8-179.7-65.5164.1-179.900113R70 L74 D121 F122 M123R70-E125 VanDerWaalsContact CB-OE2 3.29Å; R70-E125 WeakPolarHBondContact CB-OE2 3.29Å; R70-E125 VanDerWaalsContact CD-OE2 3.29Å; R70-E125 WeakPolarHBondContact CD-OE2 3.47Å; R70-E125 IonicContact CZ-OE1 2.64Å; R70-E125 IonicContact CZ-OE2 3.14Å; R70-E125 VanDerWaalsContact NE-CD 3.32Å; R70-E125 IonicContact NE-OE1 2.74Å; R70-E125 PolarHBondContact NE-OE1 2.78Å; R70-E125 VanDerWaalsContact NE-OE1 3.13Å; R70-E125 IonicContact NE-OE2 2.68Å; R70-E125 PolarHBondContact NE-OE2 3Å; R70-E125 IonicContact NH2-OE1 3.78Å; R70-E125 PolarHBondContact NH2-OE1 2.96Å; R70-E125 IonicContact NH2-OE2 3.58Å; L74-E125 HydrophobicContact CD1-CB 3.43Å; L74-E125 VanDerWaalsContact CD1-CB 3.43Å; D121-E125 VanDerWaalsContact O-CG 3.23Å; D121-E125 WeakPolarHBondContact O-CG 3.14Å; D121-E125 PolarHBondContact O-N 3.02Å; F122-E125 PolarHBondContact O-N 2.91Å; M123-E125 PolarHBondContact O-N 2.94Å
126F98.8Very high98.7Very high0 Ų027.1 Ų27.10%014%0.139CC..Hα-helixtrans-92.6-20.5-176.579.7-116.9000114.8F5 L74 I85 A88 F122 M123 P128 L129 L130 V136F5-F126 HydrophobicContact CZ-CD1 4.16Å; F5-F126 HydrophobicContact CZ-CE1 4.27Å; F5-F126 HydrophobicContact CZ-CG 4.43Å; L74-F126 HydrophobicContact CD2-CB 3.54Å; I85-F126 HydrophobicContact CD1-CB 4.01Å; I85-F126 HydrophobicContact CD1-CD2 4.42Å; A88-F126 HydrophobicContact CB-CD2 4.42Å; A88-F126 HydrophobicContact CB-CE2 3.79Å; A88-F126 HydrophobicContact CB-CZ 3.94Å; F122-F126 AromaticContact CD1-CD1 3.72Å; F122-F126 HydrophobicContact CD1-CD1 3.72Å; F122-F126 AromaticContact CD1-CE1 3.89Å; F122-F126 HydrophobicContact CD1-CE1 3.89Å; F122-F126 HydrophobicContact CD2-CD1 4.17Å; F122-F126 AromaticContact CE1-CD1 3.79Å; F122-F126 HydrophobicContact CE1-CD1 3.79Å; F122-F126 HydrophobicContact CE1-CE1 4.13Å; F122-F126 HydrophobicContact CE2-CD1 4.25Å; F122-F126 AromaticContact CG-CD1 3.92Å; F122-F126 HydrophobicContact CG-CD1 3.92Å; F122-F126 HydrophobicContact CG-CE1 4.37Å; F122-F126 HydrophobicContact CZ-CD1 4.06Å; F122-F126 WeakPolarHBondContact O-CD1 3.3Å; F122-F126 PolarHBondContact O-N 2.9Å; M123-F126 VanDerWaalsContact CA-CE1 3.46Å; M123-F126 HydrophobicContact CB-CE1 4.13Å; M123-F126 HydrophobicContact CB-CZ 4.25Å; M123-F126 HydrophobicContact CG-CE1 3.67Å; M123-F126 HydrophobicContact CG-CZ 3.71Å; M123-F126 PolarHBondContact O-N 3.25Å; F126-P128 VanDerWaalsContact C-CD 3.46Å; F126-P128 VanDerWaalsContact C-N 3.33Å; F126-L129 CarbonylContact O-C 3.56Å; F126-L129 WeakPolarHBondContact O-CA 3.49Å; F126-L129 WeakPolarHBondContact O-CB 3.44Å; F126-L129 PolarHBondContact O-N 2.8Å; F126-L130 HydrophobicContact CD2-CD2 3.91Å; F126-L130 HydrophobicContact CD2-CG 4.2Å; F126-L130 HydrophobicContact CE2-CD1 4.38Å; F126-L130 HydrophobicContact CE2-CD2 3.96Å; F126-L130 HydrophobicContact CE2-CG 4.4Å; F126-L130 PolarHBondContact O-N 3Å; F126-V136 HydrophobicContact CE2-CG1 4.22Å; F126-V136 HydrophobicContact CE2-CG2 4.26Å; F126-V136 HydrophobicContact CZ-CG1 3.99Å
127I98.6Very high98.7Very high19 Ų1927.1 Ų27.110%0.09714%0.139CC..G310 helixtrans-54.2-41.7-179.8-81.8165.6000113M123 L129 L130 F208 L212 R217M123-I127 HydrophobicContact CB-CD1 4.27Å; M123-I127 VanDerWaalsContact O-CB 3.29Å; M123-I127 WeakPolarHBondContact O-CB 3.44Å; M123-I127 WeakPolarHBondContact O-CD1 3.22Å; M123-I127 WeakPolarHBondContact O-CG1 3.43Å; M123-I127 PolarHBondContact O-N 3.06Å; I127-L129 PolarHBondContact O-N 3.03Å; I127-L129 VanDerWaalsContact O-N 3.16Å; I127-L130 HydrophobicContact CB-CD1 4.33Å; I127-L130 HydrophobicContact CG1-CD1 3.98Å; I127-L130 WeakPolarHBondContact O-CB 3.39Å; I127-L130 WeakPolarHBondContact O-CG 3.21Å; I127-L130 PolarHBondContact O-N 3.35Å; I127-L130 VanDerWaalsContact O-N 3.14Å; I127-F208 HydrophobicContact CD1-CB 4.36Å; I127-F208 HydrophobicContact CD1-CD1 3.33Å; I127-F208 HydrophobicContact CD1-CE1 3.66Å; I127-F208 HydrophobicContact CD1-CG 3.91Å; I127-F208 HydrophobicContact CD1-CZ 4.47Å; I127-L212 HydrophobicContact CD1-CD1 4.35Å; I127-L212 HydrophobicContact CG1-CD1 4.45Å; I127-L212 HydrophobicContact CG2-CD1 4.18Å; I127-L212 HydrophobicContact CG2-CD2 4Å; I127-R217 PolarHBondContact O-NH1 2.78Å
128P98.3Very high98.7Very high90 Ų9025.2 Ų25.258%0.58413%0.127SC*.G310 helixtrans-57.9-26.8173.9-2736.5000113.6E124 F126 R217E124-P128 VanDerWaalsContact O-CD 3.29Å; E124-P128 WeakPolarHBondContact O-CD 3.44Å; F126-P128 VanDerWaalsContact C-CD 3.46Å; F126-P128 VanDerWaalsContact C-N 3.33Å; P128-R217 PolarHBondContact O-NH1 3.13Å
129L98.7Very high98.7Very high30 Ų3025.5 Ų25.516%0.15713%0.128CC..G310 helixtrans-92.42.9-178.1-53-174.9000113.7L74 V77 E78 G84 I85 F126 I127L74-L129 HydrophobicContact CB-CD1 4.05Å; L74-L129 HydrophobicContact CD2-CD1 3.96Å; L74-L129 HydrophobicContact CG-CD1 4.49Å; V77-L129 HydrophobicContact CG1-CD1 4.47Å; E78-L129 HydrophobicContact CG-CD1 3.55Å; E78-L129 HydrophobicContact CG-CD2 3.57Å; E78-L129 HydrophobicContact CG-CG 4.2Å; E78-L129 WeakPolarHBondContact OE1-CD2 3.36Å; G84-L129 CarbonylContact C-O 3.57Å; G84-L129 WeakPolarHBondContact CA-O 3.38Å; I85-L129 HydrophobicContact CD1-CB 3.87Å; I85-L129 PolarHBondContact N-O 3.37Å; F126-L129 CarbonylContact O-C 3.56Å; F126-L129 WeakPolarHBondContact O-CA 3.49Å; F126-L129 WeakPolarHBondContact O-CB 3.44Å; F126-L129 PolarHBondContact O-N 2.8Å; I127-L129 PolarHBondContact O-N 3.03Å; I127-L129 VanDerWaalsContact O-N 3.16Å
130L98.8Very high98.7Very high6 Ų625.4 Ų25.43%0.03113%0.128CC..EExtended strand (participates in β ladder)trans-67.7136176.6-68.6174.2000111.3I85 A88 F126 I127 A134 V136 R217 I219I85-L130 HydrophobicContact CB-CD2 4.05Å; I85-L130 HydrophobicContact CG2-CD2 4.1Å; A88-L130 HydrophobicContact CB-CD2 4.5Å; F126-L130 HydrophobicContact CD2-CD2 3.91Å; F126-L130 HydrophobicContact CD2-CG 4.2Å; F126-L130 HydrophobicContact CE2-CD1 4.38Å; F126-L130 HydrophobicContact CE2-CD2 3.96Å; F126-L130 HydrophobicContact CE2-CG 4.4Å; F126-L130 PolarHBondContact O-N 3Å; I127-L130 HydrophobicContact CB-CD1 4.33Å; I127-L130 HydrophobicContact CG1-CD1 3.98Å; I127-L130 WeakPolarHBondContact O-CB 3.39Å; I127-L130 WeakPolarHBondContact O-CG 3.21Å; I127-L130 PolarHBondContact O-N 3.35Å; I127-L130 VanDerWaalsContact O-N 3.14Å; L130-A134 HydrophobicContact CB-CB 4Å; L130-A134 HydrophobicContact CD2-CB 3.99Å; L130-A134 HydrophobicContact CG-CB 4.44Å; L130-V136 HydrophobicContact CD1-CG2 3.68Å; L130-V136 HydrophobicContact CD2-CG2 3.93Å; L130-V136 HydrophobicContact CG-CG2 4.5Å; L130-R217 WeakPolarHBondContact O-CD 3.37Å; L130-R217 PolarHBondContact O-NH1 3.48Å; L130-I219 HydrophobicContact CB-CD1 3.81Å; L130-I219 HydrophobicContact CB-CG1 4.31Å; L130-I219 HydrophobicContact CD1-CD1 3.84Å; L130-I219 HydrophobicContact CD1-CG1 4.37Å; L130-I219 HydrophobicContact CD1-CG2 3.88Å; L130-I219 HydrophobicContact CG-CD1 4.49Å
131A98.6Very high98.6Very high4 Ų426.2 Ų26.23%0.03313%0.134CC..EExtended strand (participates in β ladder)trans-71.3167.3174.900000112N83 I85 H133 A134N83-A131 VanDerWaalsContact O-CA 3.26Å; N83-A131 WeakPolarHBondContact O-CA 3.36Å; N83-A131 WeakPolarHBondContact O-CB 3.4Å; I85-A131 VanDerWaalsContact O-CB 3.3Å; I85-A131 WeakPolarHBondContact O-CB 3.39Å; I85-A131 PolarHBondContact O-N 3.14Å; A131-H133 PolarHBondContact O-N 3.39Å; A131-A134 WeakPolarHBondContact O-CB 3.48Å; A131-A134 PolarHBondContact O-N 3.02Å
132K98.4Very high98.5Very high124 Ų12426.8 Ų26.854%0.53914%0.141SC..EExtended strand (participates in β ladder)trans-58.2136.2164.3-163.4-177.9-177-1750110.1A134 R217K132-A134 VanDerWaalsContact C-N 3.25Å; K132-A134 PolarHBondContact O-N 3.09Å; K132-R217 CarbonylContact C-O 3.47Å; K132-R217 WeakPolarHBondContact CA-O 3.49Å
133H98.2Very high98.4Very high46 Ų4629.1 Ų29.121%0.21315%0.153CC..EExtended strand (participates in β ladder)trans60.726-177.2-47.3-63.8000114.7A131 R135 R217 E218 I257A131-H133 PolarHBondContact O-N 3.39Å; H133-R135 PolarHBondContact O-NH1 3.36Å; H133-R217 PolarHBondContact N-O 3Å; H133-E218 IonicContact CE1-OE2 2.71Å; H133-E218 PolarHBondContact CE1-OE2 2.8Å; H133-E218 IonicContact ND1-OE2 3.09Å; H133-I257 HydrophobicContact CB-CD1 4.17Å; H133-I257 HydrophobicContact CB-CG1 3.99Å
134A98.7Very high98.3Very high0 Ų029.1 Ų29.10%015%0.153CC..EExtended strand (participates in β ladder)trans-59.8151.8-179.600000112.7I85 N86 L130 A131 K132 I219 V220I85-A134 WeakPolarHBondContact O-CB 3.45Å; N86-A134 CarbonylContact O-C 3.17Å; N86-A134 WeakPolarHBondContact O-CA 3.32Å; L130-A134 HydrophobicContact CB-CB 4Å; L130-A134 HydrophobicContact CD2-CB 3.99Å; L130-A134 HydrophobicContact CG-CB 4.44Å; A131-A134 WeakPolarHBondContact O-CB 3.48Å; A131-A134 PolarHBondContact O-N 3.02Å; K132-A134 VanDerWaalsContact C-N 3.25Å; K132-A134 PolarHBondContact O-N 3.09Å; A134-I219 HydrophobicContact CB-CG1 4.33Å; A134-V220 PolarHBondContact O-N 3.25Å
135R98.8Very high98.2Very high13 Ų1326 Ų265%0.04914%0.139CC..EExtended strand (participates in β ladder)trans-114.8121.2171.6-58.4-58.1174.6-118.111.6109.6N86 I87 A88 H133 V220 A253 L255 P256N86-R135 PolarHBondContact O-N 3.5Å; I87-R135 WeakPolarHBondContact CA-O 3.45Å; A88-R135 PolarHBondContact N-O 2.92Å; H133-R135 PolarHBondContact O-NH1 3.36Å; R135-V220 WeakPolarHBondContact CA-O 3.45Å; R135-A253 WeakPolarHBondContact CB-O 3.36Å; R135-A253 WeakPolarHBondContact CG-O 3.4Å; R135-L255 PolarHBondContact NE-O 3.2Å; R135-L255 VanDerWaalsContact NE-O 3.09Å; R135-P256 PolarHBondContact NH2-O 2.95Å
136V98.9Very high98Very high1 Ų126.4 Ų26.41%0.00615%0.146CC..EExtended strand (participates in β ladder)trans-111.5123.5174.3-172.70000108.7A88 M123 F126 L130 I219 V220 I221 N222A88-V136 HydrophobicContact CB-CG1 4.36Å; A88-V136 HydrophobicContact CB-CG2 4.39Å; A88-V136 CarbonylContact O-C 3.53Å; A88-V136 WeakPolarHBondContact O-CA 3.45Å; M123-V136 HydrophobicContact CE-CG1 4.24Å; F126-V136 HydrophobicContact CE2-CG1 4.22Å; F126-V136 HydrophobicContact CE2-CG2 4.26Å; F126-V136 HydrophobicContact CZ-CG1 3.99Å; L130-V136 HydrophobicContact CD1-CG2 3.68Å; L130-V136 HydrophobicContact CD2-CG2 3.93Å; L130-V136 HydrophobicContact CG-CG2 4.5Å; V136-I219 HydrophobicContact CG2-CG2 4.29Å; V136-V220 PolarHBondContact N-O 2.84Å; V136-I221 HydrophobicContact CB-CB 4.28Å; V136-I221 HydrophobicContact CB-CD1 3.96Å; V136-I221 HydrophobicContact CB-CG1 3.8Å; V136-I221 HydrophobicContact CB-CG2 4.16Å; V136-I221 HydrophobicContact CG1-CD1 4.3Å; V136-I221 HydrophobicContact CG1-CG2 4.32Å; V136-I221 HydrophobicContact CG2-CD1 4.02Å; V136-I221 HydrophobicContact CG2-CG1 4.03Å; V136-I221 WeakPolarHBondContact O-CA 3.48Å; V136-N222 PolarHBondContact O-N 3.28Å
137V98.9Very high98Very high1 Ų126.5 Ų26.51%0.00615%0.146CC..EExtended strand (participates in β ladder)trans-116.9122.4179.7-175.70000108.9A88 V89 N90 P249 L252 A253A88-V137 PolarHBondContact O-N 3.43Å; V89-V137 CarbonylContact C-O 3.57Å; V89-V137 WeakPolarHBondContact CA-O 3.49Å; V89-V137 HydrophobicContact CG1-CB 4.2Å; V89-V137 HydrophobicContact CG1-CG1 4.42Å; V89-V137 HydrophobicContact CG2-CB 4.21Å; V89-V137 HydrophobicContact CG2-CG2 4.44Å; N90-V137 PolarHBondContact N-O 3.07Å; V137-P249 HydrophobicContact CG1-CB 4.13Å; V137-L252 HydrophobicContact CG1-CB 4.23Å; V137-L252 HydrophobicContact CG1-CD1 4.1Å; V137-L252 HydrophobicContact CG2-CB 3.61Å; V137-A253 HydrophobicContact CG2-CB 3.99Å
138T98.8Very high97.9Very high0 Ų025.6 Ų25.60%014%0.142CC..EExtended strand (participates in β ladder)trans-106.3110.8175.4-60.70000109.5S140 L201 N222 S223 C224T138-S140 PolarHBondContact O-N 3.15Å; T138-L201 HydrophobicContact CG2-CD1 3.47Å; T138-L201 VanDerWaalsContact CG2-CD1 3.47Å; T138-L201 HydrophobicContact CG2-CD2 3.69Å; T138-L201 HydrophobicContact CG2-CG 3.42Å; T138-L201 VanDerWaalsContact CG2-CG 3.42Å; T138-N222 PolarHBondContact N-O 2.98Å; T138-S223 CarbonylContact O-C 3.27Å; T138-S223 VanDerWaalsContact O-CA 3.26Å; T138-S223 WeakPolarHBondContact O-CA 3.07Å; T138-C224 PolarHBondContact O-N 2.7Å
139V98.8Very high97.8Very high8 Ų826.2 Ų26.25%0.04814%0.135CC..EExtended strand (participates in β ladder)trans-77.794.7-179.9-172.70000109V89 N90 N91 K198 P226 P249V89-V139 HydrophobicContact CG1-CG2 4.1Å; N90-V139 PolarHBondContact O-N 3.42Å; N91-V139 HydrophobicContact CB-CB 4.45Å; N91-V139 HydrophobicContact CB-CG2 3.85Å; V139-K198 PolarHBondContact O-NZ 3.32Å; V139-P226 HydrophobicContact CG1-CG 4.01Å; V139-P249 HydrophobicContact CG2-CB 4.43Å; V139-P249 HydrophobicContact CG2-CG 4.29Å
140S98.5Very high97.7Very high2 Ų231.9 Ų31.91%0.01416%0.158CC..  trans-90.6-141.8175.1-172.60000110T138 S144 K198 T202 C224T138-S140 PolarHBondContact O-N 3.15Å; S140-S144 PolarHBondContact OG-OG 3.19Å; S140-K198 PolarHBondContact OG-O 3.42Å; S140-T202 WeakPolarHBondContact CB-OG1 3.41Å; S140-T202 PolarHBondContact OG-OG1 2.96Å; S140-C224 CarbonylContact C-O 3.37Å; S140-C224 VanDerWaalsContact CA-O 3.22Å; S140-C224 WeakPolarHBondContact CA-O 3.44Å; S140-C224 WeakPolarHBondContact CB-O 3.45Å; S140-C224 PolarHBondContact N-O 3.47Å
141S98.1Very high97.6Very high16 Ų1632 Ų3211%0.11216%0.159CC..  trans-163.7149.3175.7169.30000110.9I143 S144S141-I143 PolarHBondContact O-N 3.09Å; S141-I143 VanDerWaalsContact O-N 3.13Å; S141-I143 WeakPolarHBondContact OG-CB 3.46Å; S141-I143 VanDerWaalsContact OG-CG2 3.3Å; S141-I143 WeakPolarHBondContact OG-CG2 3.29Å; S141-I143 PolarHBondContact OG-N 3.2Å; S141-S144 PolarHBondContact O-N 2.96Å; S141-S144 PolarHBondContact O-OG 3.33Å
142S96.2Very high97.6Very high52 Ų5233.8 Ų33.836%0.36417%0.171SC..Hα-helixtrans-60.1-20170.456.60000112S144 L145 T146 C225S142-S144 PolarHBondContact O-N 3.28Å; S142-S144 VanDerWaalsContact O-N 3.15Å; S142-L145 PolarHBondContact O-N 3.49Å; S142-L145 VanDerWaalsContact O-N 3.09Å; S142-T146 PolarHBondContact O-N 2.9Å; S142-C225 PolarHBondContact N-SG 3.48Å
143I96.5Very high97.5Very high49 Ų4933.8 Ų33.825%0.25118%0.177SC..Hα-helixtrans-55.3-33.6172.7-15970.3000111S141 L145 T146 S147 Y194 K198S141-I143 PolarHBondContact O-N 3.09Å; S141-I143 VanDerWaalsContact O-N 3.13Å; S141-I143 WeakPolarHBondContact OG-CB 3.46Å; S141-I143 VanDerWaalsContact OG-CG2 3.3Å; S141-I143 WeakPolarHBondContact OG-CG2 3.29Å; S141-I143 PolarHBondContact OG-N 3.2Å; I143-L145 VanDerWaalsContact C-N 3.33Å; I143-L145 PolarHBondContact O-N 2.8Å; I143-T146 WeakPolarHBondContact CA-OG1 3.44Å; I143-T146 WeakPolarHBondContact CD1-OG1 3.45Å; I143-T146 CarbonylContact O-C 3.53Å; I143-T146 PolarHBondContact O-N 3.19Å; I143-T146 VanDerWaalsContact O-N 3.11Å; I143-T146 PolarHBondContact O-OG1 2.94Å; I143-S147 WeakPolarHBondContact O-CB 3.42Å; I143-S147 PolarHBondContact O-N 3.49Å; I143-S147 PolarHBondContact O-OG 3.26Å; I143-Y194 HydrophobicContact CB-CD1 4.47Å; I143-Y194 HydrophobicContact CB-CE1 4.27Å; I143-Y194 HydrophobicContact CG1-CD1 4.41Å; I143-Y194 HydrophobicContact CG2-CD1 3.73Å; I143-Y194 HydrophobicContact CG2-CE1 3.52Å; I143-K198 HydrophobicContact CG2-CB 4.1Å; I143-K198 HydrophobicContact CG2-CG 4.21Å
144S97.2Very high97.5Very high0 Ų036.2 Ų36.20%019%0.192CC..Hα-helixtrans-73-28.9-177.228.90000113.1S140 S141 S142 L148 K198 I199 T202 W275S140-S144 PolarHBondContact OG-OG 3.19Å; S141-S144 PolarHBondContact O-N 2.96Å; S141-S144 PolarHBondContact O-OG 3.33Å; S142-S144 PolarHBondContact O-N 3.28Å; S142-S144 VanDerWaalsContact O-N 3.15Å; S144-L148 WeakPolarHBondContact O-CB 3.47Å; S144-L148 PolarHBondContact O-N 3.45Å; S144-K198 WeakPolarHBondContact CB-O 3.49Å; S144-K198 VanDerWaalsContact OG-CB 3.26Å; S144-K198 WeakPolarHBondContact OG-CB 3.47Å; S144-K198 PolarHBondContact OG-O 2.86Å; S144-I199 WeakPolarHBondContact O-CG1 3.44Å; S144-T202 PolarHBondContact OG-OG1 3Å; S144-W275 VanDerWaalsContact CB-CH2 3.45Å; S144-W275 WeakPolarHBondContact OG-CH2 3.47Å; S144-W275 WeakPolarHBondContact OG-CZ2 3.37Å
145L95.8Very high97.5Very high27 Ų2736.5 Ų36.514%0.14119%0.193CC..Hα-helixtrans-65.2-43.5166-174.657.8000111S142 I143 S147 L148 K149 V273 W275S142-L145 PolarHBondContact O-N 3.49Å; S142-L145 VanDerWaalsContact O-N 3.09Å; I143-L145 VanDerWaalsContact C-N 3.33Å; I143-L145 PolarHBondContact O-N 2.8Å; L145-S147 PolarHBondContact O-N 2.99Å; L145-L148 HydrophobicContact CD1-CD2 4.38Å; L145-L148 PolarHBondContact O-N 3.3Å; L145-K149 WeakPolarHBondContact O-CG 3.23Å; L145-K149 PolarHBondContact O-N 2.55Å; L145-V273 HydrophobicContact CD2-CG1 4.05Å; L145-W275 HydrophobicContact CB-CE3 3.84Å; L145-W275 HydrophobicContact CB-CH2 4.25Å; L145-W275 HydrophobicContact CB-CZ3 3.63Å; L145-W275 HydrophobicContact CD1-CD2 4.36Å; L145-W275 HydrophobicContact CD1-CE3 4.19Å; L145-W275 HydrophobicContact CG-CE3 4.45Å; L145-W275 VanDerWaalsContact N-CH2 3.32Å
146T95.5Very high97.4Very high67 Ų6737.6 Ų37.641%0.41120%0.198SC..Hα-helixtrans-65.9-37.1179.368.10000112.9S142 I143S142-T146 PolarHBondContact O-N 2.9Å; I143-T146 WeakPolarHBondContact CA-OG1 3.44Å; I143-T146 WeakPolarHBondContact CD1-OG1 3.45Å; I143-T146 CarbonylContact O-C 3.53Å; I143-T146 PolarHBondContact O-N 3.19Å; I143-T146 VanDerWaalsContact O-N 3.11Å; I143-T146 PolarHBondContact O-OG1 2.94Å
147S96.9Very high97.4Very high1 Ų138.7 Ų38.71%0.00721%0.209CC..Hα-helixtrans-76.1-34.3177.5-66.90000111.4I143 L145 K149 K150 L151 N192 G195I143-S147 WeakPolarHBondContact O-CB 3.42Å; I143-S147 PolarHBondContact O-N 3.49Å; I143-S147 PolarHBondContact O-OG 3.26Å; L145-S147 PolarHBondContact O-N 2.99Å; S147-K149 PolarHBondContact O-N 2.82Å; S147-K150 PolarHBondContact O-N 2.64Å; S147-L151 PolarHBondContact O-N 3.14Å; S147-N192 PolarHBondContact OG-ND2 3.04Å; S147-G195 WeakPolarHBondContact OG-CA 3.49Å
148L97.3Very high97.3Very high1 Ų142.8 Ų42.81%0.00523%0.227CC..Hα-helixtrans-58.9-40.8175-176.576.5000110.1S144 L145 K150 L151 Y156 F159 V160 I199 W275S144-L148 WeakPolarHBondContact O-CB 3.47Å; S144-L148 PolarHBondContact O-N 3.45Å; L145-L148 HydrophobicContact CD1-CD2 4.38Å; L145-L148 PolarHBondContact O-N 3.3Å; L148-K150 PolarHBondContact O-N 3.2Å; L148-L151 HydrophobicContact CD1-CD1 3.91Å; L148-L151 PolarHBondContact O-N 2.77Å; L148-Y156 HydrophobicContact CD1-CD2 4.31Å; L148-Y156 HydrophobicContact CD2-CE2 4.05Å; L148-Y156 HydrophobicContact CG-CD2 3.9Å; L148-Y156 HydrophobicContact CG-CE2 3.93Å; L148-F159 HydrophobicContact CD1-CB 3.67Å; L148-F159 HydrophobicContact CD1-CG 4.26Å; L148-V160 HydrophobicContact CD2-CG1 4.14Å; L148-I199 HydrophobicContact CB-CD1 4.48Å; L148-I199 HydrophobicContact CB-CG1 4.29Å; L148-I199 HydrophobicContact CD1-CG2 3.97Å; L148-W275 HydrophobicContact CD2-CG 4.48Å
149K96Very high97.3Very high102 Ų10243 Ų4344%0.44323%0.228SC..THydrogen-bonded Turntrans-66.8-19.3176.8-67.6-179.1179.5-168.20114L145 S147 K277L145-K149 WeakPolarHBondContact O-CG 3.23Å; L145-K149 PolarHBondContact O-N 2.55Å; S147-K149 PolarHBondContact O-N 2.82Å; K149-K277 HydrophobicContact CB-CG 4.48Å; K149-K277 HydrophobicContact CG-CG 3.91Å; K149-K277 WeakPolarHBondContact O-CE 3.21Å
150K96.8Very high97.2Very high149 Ų14945.3 Ų45.365%0.64824%0.242SC*.THydrogen-bonded Turntrans-93.6-4.5179.5-67.9-179.6179.3-173.80114S147 L148 P190S147-K150 PolarHBondContact O-N 2.64Å; L148-K150 PolarHBondContact O-N 3.2Å; K150-P190 HydrophobicContact CB-CB 4.13Å
151L97.7Very high97.1Very high8 Ų847.9 Ų47.94%0.04226%0.26CS..SBendtrans-68.8154.1173-65.5170.6000110.7S147 L148 L155 F159 W189 P190 I199S147-L151 PolarHBondContact O-N 3.14Å; L148-L151 HydrophobicContact CD1-CD1 3.91Å; L148-L151 PolarHBondContact O-N 2.77Å; L151-L155 HydrophobicContact CB-CB 3.99Å; L151-L155 HydrophobicContact CD1-CB 4.32Å; L151-L155 HydrophobicContact CD2-CB 4.15Å; L151-L155 HydrophobicContact CD2-CD1 4Å; L151-L155 HydrophobicContact CG-CB 4.4Å; L151-F159 HydrophobicContact CD1-CD2 3.5Å; L151-F159 HydrophobicContact CD1-CE2 3.86Å; L151-F159 HydrophobicContact CD1-CG 4.46Å; L151-W189 HydrophobicContact CD2-CD2 4.44Å; L151-W189 HydrophobicContact CD2-CE3 3.54Å; L151-W189 HydrophobicContact CD2-CZ3 3.84Å; L151-P190 HydrophobicContact CD2-CG 4.41Å; L151-I199 HydrophobicContact CD1-CD1 4.27Å
152S97.7Very high97Very high42 Ų4253.5 Ų53.529%0.29430%0.296SS..  trans-55.5157.4162.166.10000110.9D154 L155 Y156 G188S152-D154 VanDerWaalsContact C-N 3.27Å; S152-D154 PolarHBondContact O-N 3.32Å; S152-L155 PolarHBondContact O-N 3.3Å; S152-L155 PolarHBondContact OG-N 3.07Å; S152-Y156 VanDerWaalsContact O-CB 3.25Å; S152-Y156 WeakPolarHBondContact O-CB 3.42Å; S152-Y156 PolarHBondContact O-N 3.3Å; S152-G188 PolarHBondContact N-O 3.18Å; S152-G188 VanDerWaalsContact N-O 3.09Å
153D97.3Very high97.1Very high125 Ų12552.5 Ų52.567%0.66829%0.286SS*.Hα-helixtrans-63.9-32.9-177.3-69-29.3000112.8G157 K277D153-G157 PolarHBondContact O-N 2.96Å; D153-K277 IonicContact OD1-NZ 2.69Å; D153-K277 PolarHBondContact OD1-NZ 3.22Å; D153-K277 VanDerWaalsContact OD1-NZ 3.16Å
154D97.3Very high97.2Very high97 Ų9752.6 Ų52.652%0.51929%0.291SS..Hα-helixtrans-62.6-53.1172.9174.170.5000111.8S152 Y156 G157 K158S152-D154 VanDerWaalsContact C-N 3.27Å; S152-D154 PolarHBondContact O-N 3.32Å; D154-Y156 PolarHBondContact O-N 3.13Å; D154-G157 PolarHBondContact O-N 3.05Å; D154-K158 WeakPolarHBondContact O-CG 3.48Å; D154-K158 PolarHBondContact O-N 2.76Å; D154-K158 IonicContact OD1-NZ 3.54Å; D154-K158 VanDerWaalsContact OD2-CE 3.29Å; D154-K158 WeakPolarHBondContact OD2-CE 3.2Å; D154-K158 IonicContact OD2-NZ 3.61Å; D154-K158 PolarHBondContact OD2-NZ 3.46Å
155L97.9Very high97.2Very high6 Ų653.4 Ų53.43%0.03130%0.295CS..Hα-helixtrans-63.2-43.5178.5-74.9178.5000111.4L151 S152 G157 K158 F159 L171 K187 G188 W189L151-L155 HydrophobicContact CB-CB 3.99Å; L151-L155 HydrophobicContact CD1-CB 4.32Å; L151-L155 HydrophobicContact CD2-CB 4.15Å; L151-L155 HydrophobicContact CD2-CD1 4Å; L151-L155 HydrophobicContact CG-CB 4.4Å; S152-L155 PolarHBondContact O-N 3.3Å; S152-L155 PolarHBondContact OG-N 3.07Å; L155-G157 VanDerWaalsContact C-N 3.3Å; L155-G157 PolarHBondContact O-N 3.29Å; L155-K158 HydrophobicContact CD2-CD 4.48Å; L155-K158 PolarHBondContact O-N 3.46Å; L155-F159 VanDerWaalsContact O-CD2 3.26Å; L155-F159 WeakPolarHBondContact O-CD2 3.23Å; L155-F159 PolarHBondContact O-N 3.41Å; L155-F159 VanDerWaalsContact O-N 3.12Å; L155-L171 HydrophobicContact CD2-CD1 3.76Å; L155-L171 HydrophobicContact CD2-CG 4.48Å; L155-K187 VanDerWaalsContact CD1-O 3.31Å; L155-K187 WeakPolarHBondContact CD1-O 3.48Å; L155-G188 WeakPolarHBondContact CD1-O 3.38Å; L155-W189 HydrophobicContact CD1-CD2 3.57Å; L155-W189 HydrophobicContact CD1-CE3 3.95Å; L155-W189 HydrophobicContact CD1-CG 3.95Å; L155-W189 HydrophobicContact CD1-CH2 4.38Å; L155-W189 HydrophobicContact CD1-CZ2 4.03Å; L155-W189 HydrophobicContact CD1-CZ3 4.33Å; L155-W189 HydrophobicContact CD2-CH2 4Å; L155-W189 HydrophobicContact CD2-CZ2 3.62Å; L155-W189 HydrophobicContact CG-CZ2 4.49Å
156Y98.2Very high97.3Very high36 Ų3657.2 Ų57.214%0.14132%0.315CS..Hα-helixtrans-54.7-49.4174.6174.4-94.1000110.7L148 S152 D154 K158 F159 V160 S276 K277L148-Y156 HydrophobicContact CD1-CD2 4.31Å; L148-Y156 HydrophobicContact CD2-CE2 4.05Å; L148-Y156 HydrophobicContact CG-CD2 3.9Å; L148-Y156 HydrophobicContact CG-CE2 3.93Å; S152-Y156 VanDerWaalsContact O-CB 3.25Å; S152-Y156 WeakPolarHBondContact O-CB 3.42Å; S152-Y156 PolarHBondContact O-N 3.3Å; D154-Y156 PolarHBondContact O-N 3.13Å; Y156-K158 VanDerWaalsContact C-N 3.33Å; Y156-K158 PolarHBondContact O-N 3.33Å; Y156-F159 PolarHBondContact O-N 3.4Å; Y156-V160 HydrophobicContact CD1-CG2 4.25Å; Y156-V160 HydrophobicContact CD2-CG1 4.27Å; Y156-V160 HydrophobicContact CE1-CG1 4.11Å; Y156-V160 HydrophobicContact CE1-CG2 3.82Å; Y156-V160 HydrophobicContact CE2-CG1 3.7Å; Y156-V160 WeakPolarHBondContact O-CG2 3.31Å; Y156-V160 PolarHBondContact O-N 3.19Å; Y156-V160 VanDerWaalsContact O-N 3.07Å; Y156-S276 VanDerWaalsContact OH-CB 3.23Å; Y156-S276 WeakPolarHBondContact OH-CB 3.19Å; Y156-K277 HydrophobicContact CD1-CD 4.32Å; Y156-K277 HydrophobicContact CD2-CD 3.95Å; Y156-K277 HydrophobicContact CD2-CG 4.15Å; Y156-K277 HydrophobicContact CE1-CD 4.14Å; Y156-K277 HydrophobicContact CE1-CG 4.49Å; Y156-K277 HydrophobicContact CE2-CB 4.07Å; Y156-K277 HydrophobicContact CE2-CD 3.76Å; Y156-K277 HydrophobicContact CE2-CG 3.53Å; Y156-K277 HydrophobicContact CG-CD 4.24Å; Y156-K277 WeakPolarHBondContact OH-CB 3.38Å; Y156-K277 PolarHBondContact OH-N 3.29Å
157G97.7Very high97.5Very high24 Ų2458.9 Ų58.925%0.24732%0.318CS..Hα-helixtrans-55.2-44.9177.200000112.8D153 D154 L155 F159 V160 S161D153-G157 PolarHBondContact O-N 2.96Å; D154-G157 PolarHBondContact O-N 3.05Å; L155-G157 VanDerWaalsContact C-N 3.3Å; L155-G157 PolarHBondContact O-N 3.29Å; G157-F159 PolarHBondContact O-N 2.9Å; G157-V160 PolarHBondContact O-N 3.47Å; G157-S161 WeakPolarHBondContact O-CB 3.37Å; G157-S161 PolarHBondContact O-N 3.39Å; G157-S161 PolarHBondContact O-OG 2.84Å
158K97.5Very high97.5Very high86 Ų8658.9 Ų58.937%0.37432%0.318SS..Hα-helixtrans-61.5-40.9177.1-70.4167.6178.3164.70113D154 L155 Y156 L171D154-K158 WeakPolarHBondContact O-CG 3.48Å; D154-K158 PolarHBondContact O-N 2.76Å; D154-K158 IonicContact OD1-NZ 3.54Å; D154-K158 VanDerWaalsContact OD2-CE 3.29Å; D154-K158 WeakPolarHBondContact OD2-CE 3.2Å; D154-K158 IonicContact OD2-NZ 3.61Å; D154-K158 PolarHBondContact OD2-NZ 3.46Å; L155-K158 HydrophobicContact CD2-CD 4.48Å; L155-K158 PolarHBondContact O-N 3.46Å; Y156-K158 VanDerWaalsContact C-N 3.33Å; Y156-K158 PolarHBondContact O-N 3.33Å; K158-L171 HydrophobicContact CB-CD2 3.89Å; K158-L171 HydrophobicContact CD-CD1 4.01Å; K158-L171 HydrophobicContact CD-CD2 4.38Å
159F97.7Very high97.6Very high6 Ų661.3 Ų61.33%0.02633%0.327CS..Hα-helixtrans-74.7-35.1-179.8-80.3-73000113.7L148 L151 L155 Y156 G157 L168 L171 V172 W189 I199 K203L148-F159 HydrophobicContact CD1-CB 3.67Å; L148-F159 HydrophobicContact CD1-CG 4.26Å; L151-F159 HydrophobicContact CD1-CD2 3.5Å; L151-F159 HydrophobicContact CD1-CE2 3.86Å; L151-F159 HydrophobicContact CD1-CG 4.46Å; L155-F159 VanDerWaalsContact O-CD2 3.26Å; L155-F159 WeakPolarHBondContact O-CD2 3.23Å; L155-F159 PolarHBondContact O-N 3.41Å; L155-F159 VanDerWaalsContact O-N 3.12Å; Y156-F159 PolarHBondContact O-N 3.4Å; G157-F159 PolarHBondContact O-N 2.9Å; F159-L168 HydrophobicContact CD1-CD1 3.93Å; F159-L168 HydrophobicContact CE1-CD1 3.53Å; F159-L171 HydrophobicContact CD1-CD2 4.49Å; F159-L171 HydrophobicContact CD2-CD2 4.05Å; F159-L171 HydrophobicContact CE1-CD2 4.11Å; F159-L171 HydrophobicContact CE2-CD2 3.63Å; F159-L171 HydrophobicContact CE2-CG 4.33Å; F159-L171 HydrophobicContact CG-CD2 4.47Å; F159-L171 HydrophobicContact CZ-CD2 3.67Å; F159-L171 HydrophobicContact CZ-CG 4.21Å; F159-V172 HydrophobicContact CE1-CG2 4.42Å; F159-V172 HydrophobicContact CZ-CG2 4.41Å; F159-W189 AromaticContact CE2-CH2 3.6Å; F159-W189 HydrophobicContact CE2-CH2 3.6Å; F159-W189 AromaticContact CE2-CZ3 3.58Å; F159-W189 HydrophobicContact CE2-CZ3 3.58Å; F159-W189 AromaticContact CZ-CH2 3.75Å; F159-W189 HydrophobicContact CZ-CH2 3.75Å; F159-W189 AromaticContact CZ-CZ3 3.85Å; F159-W189 HydrophobicContact CZ-CZ3 3.85Å; F159-I199 HydrophobicContact CB-CG2 4.43Å; F159-I199 HydrophobicContact CD1-CG2 3.44Å; F159-I199 VanDerWaalsContact CD1-CG2 3.44Å; F159-I199 HydrophobicContact CD2-CG2 4.06Å; F159-I199 HydrophobicContact CE1-CG2 3.52Å; F159-I199 HydrophobicContact CE2-CG2 4.14Å; F159-I199 HydrophobicContact CG-CG2 3.72Å; F159-I199 HydrophobicContact CZ-CG2 3.88Å; F159-K203 HydrophobicContact CD1-CB 4.31Å; F159-K203 HydrophobicContact CD1-CG 4.41Å; F159-K203 WeakPolarHBondContact O-CD 3.25Å; F159-K203 WeakPolarHBondContact O-CE 3.35Å; F159-K203 PolarHBondContact O-NZ 3.11Å
160V96.8Very high97.7Very high56 Ų5662.1 Ų62.134%0.33933%0.331SS..Hα-helixtrans-85.6-20.8-178.1-57.80000113.5L148 Y156 G157L148-V160 HydrophobicContact CD2-CG1 4.14Å; Y156-V160 HydrophobicContact CD1-CG2 4.25Å; Y156-V160 HydrophobicContact CD2-CG1 4.27Å; Y156-V160 HydrophobicContact CE1-CG1 4.11Å; Y156-V160 HydrophobicContact CE1-CG2 3.82Å; Y156-V160 HydrophobicContact CE2-CG1 3.7Å; Y156-V160 WeakPolarHBondContact O-CG2 3.31Å; Y156-V160 PolarHBondContact O-N 3.19Å; Y156-V160 VanDerWaalsContact O-N 3.07Å; G157-V160 PolarHBondContact O-N 3.47Å
161S96.4Very high97.8Very high55 Ų5555.5 Ų55.539%0.38530%0.303SS..SBendtrans-81163.5176.7-56.60000112.4G157 I163 K203G157-S161 WeakPolarHBondContact O-CB 3.37Å; G157-S161 PolarHBondContact O-N 3.39Å; G157-S161 PolarHBondContact O-OG 2.84Å; S161-I163 PolarHBondContact O-N 3.47Å; S161-K203 WeakPolarHBondContact O-CE 3.42Å; S161-K203 PolarHBondContact O-NZ 3.27Å
162P97.1Very high97.9Very high134 Ų13455.1 Ų55.187%0.8730%0.301SS*.  trans-53.8132.1166.8-25.435.7000111
163I97.7Very high97.9Very high31 Ų3156.8 Ų56.816%0.15931%0.312CS..  trans-151.2142-179-169.5172.5000107.7S161 E167 L171 K203 I207S161-I163 PolarHBondContact O-N 3.47Å; I163-E167 HydrophobicContact CD1-CB 3.78Å; I163-E167 HydrophobicContact CG1-CB 3.38Å; I163-E167 HydrophobicContact CG1-CG 4.43Å; I163-L171 HydrophobicContact CD1-CD2 4.48Å; I163-K203 HydrophobicContact CG2-CD 4.37Å; I163-K203 HydrophobicContact CG2-CG 4.19Å; I163-I207 HydrophobicContact CG2-CD1 3.93Å; I163-I207 WeakPolarHBondContact O-CD1 3.43Å
164S98Very high97.9Very high51 Ų5156 Ų5636%0.35730%0.304SS..  trans-73.1159.9174.966.30000111.7L166 E167 L168S164-L166 PolarHBondContact O-N 3.11Å; S164-E167 VanDerWaalsContact CB-OE2 3.29Å; S164-E167 WeakPolarHBondContact CB-OE2 3.22Å; S164-E167 PolarHBondContact N-OE2 2.76Å; S164-E167 PolarHBondContact O-N 2.63Å; S164-E167 WeakPolarHBondContact OG-CB 3.4Å; S164-E167 VanDerWaalsContact OG-CD 3.23Å; S164-E167 WeakPolarHBondContact OG-CG 3.07Å; S164-E167 PolarHBondContact OG-N 3.45Å; S164-E167 VanDerWaalsContact OG-N 3.13Å; S164-E167 PolarHBondContact OG-OE2 3.31Å; S164-L168 WeakPolarHBondContact O-CB 3.15Å; S164-L168 PolarHBondContact O-N 2.98Å
165L98.2Very high98Very high18 Ų1851.3 Ų51.39%0.09428%0.279CS..Hα-helixtrans-60-35.3174-17162.7000111.6I120 E124 L168 R169 A204 I207 F208I120-L165 HydrophobicContact CD1-CD1 4.2Å; E124-L165 HydrophobicContact CG-CD2 4.02Å; E124-L165 WeakPolarHBondContact OE1-CD2 3.41Å; L165-L168 HydrophobicContact CD1-CD2 4.45Å; L165-L168 PolarHBondContact O-N 3.47Å; L165-R169 WeakPolarHBondContact O-CB 3.42Å; L165-R169 WeakPolarHBondContact O-CG 2.94Å; L165-R169 PolarHBondContact O-N 3.11Å; L165-A204 HydrophobicContact CD1-CB 4.24Å; L165-I207 HydrophobicContact CB-CG2 4.16Å; L165-F208 HydrophobicContact CD1-CE2 4.39Å; L165-F208 HydrophobicContact CD1-CZ 4.36Å; L165-F208 HydrophobicContact CD2-CE1 3.94Å; L165-F208 HydrophobicContact CD2-CE2 4.47Å; L165-F208 HydrophobicContact CD2-CZ 3.66Å
166L98.2Very high98Very high107 Ų10751.9 Ų51.956%0.5628%0.283SS*.Hα-helixtrans-64.6-46.6176.8178.861.7000112S164 R169 K170S164-L166 PolarHBondContact O-N 3.11Å; L166-R169 PolarHBondContact O-N 3.3Å; L166-K170 WeakPolarHBondContact O-CG 3.36Å; L166-K170 PolarHBondContact O-N 3.23Å
167E98.5Very high98.1Very high102 Ų10256.8 Ų56.848%0.47731%0.305SS..Hα-helixtrans-66.4-39.1177.2-71.6161.8139.300111.4I163 S164 R169 K170 L171I163-E167 HydrophobicContact CD1-CB 3.78Å; I163-E167 HydrophobicContact CG1-CB 3.38Å; I163-E167 HydrophobicContact CG1-CG 4.43Å; S164-E167 VanDerWaalsContact CB-OE2 3.29Å; S164-E167 WeakPolarHBondContact CB-OE2 3.22Å; S164-E167 PolarHBondContact N-OE2 2.76Å; S164-E167 PolarHBondContact O-N 2.63Å; S164-E167 WeakPolarHBondContact OG-CB 3.4Å; S164-E167 VanDerWaalsContact OG-CD 3.23Å; S164-E167 WeakPolarHBondContact OG-CG 3.07Å; S164-E167 PolarHBondContact OG-N 3.45Å; S164-E167 VanDerWaalsContact OG-N 3.13Å; S164-E167 PolarHBondContact OG-OE2 3.31Å; E167-R169 PolarHBondContact O-N 3.48Å; E167-K170 PolarHBondContact O-N 2.99Å; E167-L171 WeakPolarHBondContact O-CB 3.41Å; E167-L171 PolarHBondContact O-N 2.7Å
168L98.7Very high98.1Very high0 Ų055.6 Ų55.60%029%0.293CS..Hα-helixtrans-60.1-45.5173.6179.964000111.6F116 F159 S164 L165 K170 L171 V172 K203 A204 I207F116-L168 HydrophobicContact CE2-CD2 3.91Å; F116-L168 HydrophobicContact CE2-CG 4.09Å; F116-L168 HydrophobicContact CZ-CD2 4.14Å; F116-L168 HydrophobicContact CZ-CG 3.9Å; F159-L168 HydrophobicContact CD1-CD1 3.93Å; F159-L168 HydrophobicContact CE1-CD1 3.53Å; S164-L168 WeakPolarHBondContact O-CB 3.15Å; S164-L168 PolarHBondContact O-N 2.98Å; L165-L168 HydrophobicContact CD1-CD2 4.45Å; L165-L168 PolarHBondContact O-N 3.47Å; L168-K170 VanDerWaalsContact C-N 3.34Å; L168-K170 PolarHBondContact O-N 3Å; L168-L171 PolarHBondContact O-N 2.71Å; L168-V172 HydrophobicContact CD1-CG2 4.22Å; L168-V172 WeakPolarHBondContact O-CG2 3.35Å; L168-V172 PolarHBondContact O-N 3.2Å; L168-K203 HydrophobicContact CD1-CB 4.09Å; L168-K203 HydrophobicContact CD1-CG 3.92Å; L168-K203 HydrophobicContact CD2-CB 4.04Å; L168-K203 HydrophobicContact CD2-CG 3.97Å; L168-A204 HydrophobicContact CD2-CB 3.81Å; L168-I207 HydrophobicContact CB-CD1 4.1Å; L168-I207 HydrophobicContact CD2-CD1 3.66Å; L168-I207 HydrophobicContact CG-CD1 4.49Å
169R98.7Very high98.1Very high53 Ų5351.8 Ų51.820%0.228%0.278CS..Hα-helixtrans-58.9-44.2175.6-78175.9179.5-83.24.9111.6F116 I120 D121 E124 L165 L166 E167 S173F116-R169 HydrophobicContact CE1-CG 4.35Å; F116-R169 HydrophobicContact CZ-CG 4.32Å; I120-R169 HydrophobicContact CD1-CG 3.68Å; I120-R169 VanDerWaalsContact CG1-NH2 3.3Å; D121-R169 IonicContact OD1-CZ 3.9Å; D121-R169 IonicContact OD1-NH1 2.66Å; D121-R169 PolarHBondContact OD1-NH1 2.91Å; D121-R169 IonicContact OD1-NH2 3.32Å; D121-R169 PolarHBondContact OD1-NH2 3.12Å; E124-R169 IonicContact OE2-CZ 2.71Å; E124-R169 IonicContact OE2-NE 3.63Å; E124-R169 IonicContact OE2-NH2 3.58Å; E124-R169 PolarHBondContact OE2-NH2 2.99Å; L165-R169 WeakPolarHBondContact O-CB 3.42Å; L165-R169 WeakPolarHBondContact O-CG 2.94Å; L165-R169 PolarHBondContact O-N 3.11Å; L166-R169 PolarHBondContact O-N 3.3Å; E167-R169 PolarHBondContact O-N 3.48Å; R169-S173 VanDerWaalsContact O-CB 3.26Å; R169-S173 WeakPolarHBondContact O-CB 3.13Å; R169-S173 PolarHBondContact O-N 3.44Å
170K98.6Very high98.2Very high119 Ų11956.7 Ų56.752%0.51730%0.301SS..Hα-helixtrans-60.5-48.2176-72174.6-177.8178.40111.2L166 E167 L168 V172 S173 E174L166-K170 WeakPolarHBondContact O-CG 3.36Å; L166-K170 PolarHBondContact O-N 3.23Å; E167-K170 PolarHBondContact O-N 2.99Å; L168-K170 VanDerWaalsContact C-N 3.34Å; L168-K170 PolarHBondContact O-N 3Å; K170-V172 PolarHBondContact O-N 3.21Å; K170-S173 WeakPolarHBondContact O-CB 3.21Å; K170-S173 PolarHBondContact O-N 3.4Å; K170-S173 VanDerWaalsContact O-N 3.16Å; K170-E174 WeakPolarHBondContact O-CG 3.44Å; K170-E174 PolarHBondContact O-N 3.3Å
171L98.3Very high98.2Very high10 Ų1057.7 Ų57.75%0.05230%0.304CS..Hα-helixtrans-62.1-42.5-178.2-167.565.1000112.5L155 K158 F159 I163 E167 L168 E174 F175 W189L155-L171 HydrophobicContact CD2-CD1 3.76Å; L155-L171 HydrophobicContact CD2-CG 4.48Å; K158-L171 HydrophobicContact CB-CD2 3.89Å; K158-L171 HydrophobicContact CD-CD1 4.01Å; K158-L171 HydrophobicContact CD-CD2 4.38Å; F159-L171 HydrophobicContact CD1-CD2 4.49Å; F159-L171 HydrophobicContact CD2-CD2 4.05Å; F159-L171 HydrophobicContact CE1-CD2 4.11Å; F159-L171 HydrophobicContact CE2-CD2 3.63Å; F159-L171 HydrophobicContact CE2-CG 4.33Å; F159-L171 HydrophobicContact CG-CD2 4.47Å; F159-L171 HydrophobicContact CZ-CD2 3.67Å; F159-L171 HydrophobicContact CZ-CG 4.21Å; I163-L171 HydrophobicContact CD1-CD2 4.48Å; E167-L171 WeakPolarHBondContact O-CB 3.41Å; E167-L171 PolarHBondContact O-N 2.7Å; L168-L171 PolarHBondContact O-N 2.71Å; L171-E174 PolarHBondContact O-N 3.32Å; L171-F175 PolarHBondContact O-N 2.87Å; L171-W189 HydrophobicContact CD1-CH2 4.39Å; L171-W189 HydrophobicContact CD1-CZ2 4.14Å; L171-W189 HydrophobicContact CG-CH2 3.92Å; L171-W189 HydrophobicContact CG-CZ2 4.12Å; L171-W189 VanDerWaalsContact O-CZ2 3.32Å; L171-W189 WeakPolarHBondContact O-CZ2 3.45Å
172V98.5Very high98.3Very high0 Ų057.5 Ų57.50%031%0.311CS..Hα-helixtrans-71.8-32.5176.7178.30000111.7V112 F116 F159 L168 K170 F175 V176V112-V172 HydrophobicContact CG1-CG1 3.48Å; V112-V172 VanDerWaalsContact CG1-CG1 3.48Å; V112-V172 HydrophobicContact CG2-CG1 4.27Å; F116-V172 HydrophobicContact CD1-CB 4.01Å; F116-V172 HydrophobicContact CD1-CG1 3.55Å; F116-V172 HydrophobicContact CD1-CG2 4.33Å; F116-V172 HydrophobicContact CE1-CB 3.66Å; F116-V172 HydrophobicContact CE1-CG1 3.76Å; F116-V172 HydrophobicContact CE1-CG2 3.9Å; F116-V172 HydrophobicContact CE2-CG2 4.35Å; F116-V172 HydrophobicContact CG-CG1 4.2Å; F116-V172 HydrophobicContact CZ-CB 4.17Å; F116-V172 HydrophobicContact CZ-CG2 3.91Å; F159-V172 HydrophobicContact CE1-CG2 4.42Å; F159-V172 HydrophobicContact CZ-CG2 4.41Å; L168-V172 HydrophobicContact CD1-CG2 4.22Å; L168-V172 WeakPolarHBondContact O-CG2 3.35Å; L168-V172 PolarHBondContact O-N 3.2Å; K170-V172 PolarHBondContact O-N 3.21Å; V172-F175 WeakPolarHBondContact O-CB 3.34Å; V172-F175 PolarHBondContact O-N 3.24Å; V172-V176 PolarHBondContact O-N 2.96Å
173S98.5Very high98.4Very high77 Ų7752.8 Ų52.854%0.53828%0.279SS..Hα-helixtrans-65.9-39.3172.5-174.10000112.1R169 K170 F175 V176 K177R169-S173 VanDerWaalsContact O-CB 3.26Å; R169-S173 WeakPolarHBondContact O-CB 3.13Å; R169-S173 PolarHBondContact O-N 3.44Å; K170-S173 WeakPolarHBondContact O-CB 3.21Å; K170-S173 PolarHBondContact O-N 3.4Å; K170-S173 VanDerWaalsContact O-N 3.16Å; S173-F175 VanDerWaalsContact C-N 3.31Å; S173-F175 PolarHBondContact O-N 3.08Å; S173-V176 PolarHBondContact O-N 3.49Å; S173-V176 VanDerWaalsContact O-N 3.15Å; S173-K177 PolarHBondContact O-N 2.99Å
174E98.4Very high98.4Very high107 Ų10753.2 Ų53.250%0.528%0.279SS..Hα-helixtrans-61.2-38.4173.4-74.2169.4-168.900112.1K170 L171 K177 S178K170-E174 WeakPolarHBondContact O-CG 3.44Å; K170-E174 PolarHBondContact O-N 3.3Å; L171-E174 PolarHBondContact O-N 3.32Å; E174-K177 PolarHBondContact O-N 2.92Å; E174-S178 VanDerWaalsContact O-CB 3.31Å; E174-S178 WeakPolarHBondContact O-CB 3.47Å; E174-S178 PolarHBondContact O-N 3.16Å; E174-S178 PolarHBondContact O-OG 3.41Å
175F98.7Very high98.3Very high0 Ų054.1 Ų54.10%029%0.285CS..Hα-helixtrans-56.8-51.9170.6163.8-108.8000111.2F104 A108 V112 L171 V172 S173 K177 S178 A179 W189 A193 V196F104-F175 HydrophobicContact CE1-CE2 4.28Å; F104-F175 HydrophobicContact CE1-CZ 4.34Å; F104-F175 HydrophobicContact CZ-CE2 4.21Å; F104-F175 HydrophobicContact CZ-CZ 4.04Å; A108-F175 HydrophobicContact CB-CE1 3.71Å; A108-F175 HydrophobicContact CB-CZ 3.9Å; V112-F175 HydrophobicContact CG2-CD1 4.02Å; V112-F175 HydrophobicContact CG2-CE1 3.96Å; L171-F175 PolarHBondContact O-N 2.87Å; V172-F175 WeakPolarHBondContact O-CB 3.34Å; V172-F175 PolarHBondContact O-N 3.24Å; S173-F175 VanDerWaalsContact C-N 3.31Å; S173-F175 PolarHBondContact O-N 3.08Å; F175-K177 PolarHBondContact O-N 2.9Å; F175-S178 WeakPolarHBondContact CA-OG 3.45Å; F175-S178 PolarHBondContact O-N 2.87Å; F175-S178 VanDerWaalsContact O-N 3.16Å; F175-S178 PolarHBondContact O-OG 2.78Å; F175-A179 HydrophobicContact CE2-CB 4.39Å; F175-A179 HydrophobicContact CZ-CB 4.41Å; F175-A179 WeakPolarHBondContact O-CB 3.35Å; F175-A179 PolarHBondContact O-N 2.89Å; F175-W189 HydrophobicContact CB-CD2 3.82Å; F175-W189 HydrophobicContact CB-CE3 4.03Å; F175-W189 HydrophobicContact CB-CG 4.41Å; F175-W189 HydrophobicContact CB-CH2 3.97Å; F175-W189 HydrophobicContact CB-CZ2 3.78Å; F175-W189 HydrophobicContact CB-CZ3 4.1Å; F175-W189 HydrophobicContact CD2-CB 3.85Å; F175-W189 AromaticContact CD2-CD2 3.75Å; F175-W189 HydrophobicContact CD2-CD2 3.75Å; F175-W189 AromaticContact CD2-CE3 3.94Å; F175-W189 HydrophobicContact CD2-CE3 3.94Å; F175-W189 AromaticContact CD2-CG 3.7Å; F175-W189 HydrophobicContact CD2-CG 3.7Å; F175-W189 HydrophobicContact CE2-CB 4.26Å; F175-W189 HydrophobicContact CG-CD2 4.18Å; F175-W189 HydrophobicContact CG-CE3 4.22Å; F175-A193 HydrophobicContact CE1-CB 4.47Å; F175-A193 HydrophobicContact CZ-CB 4.25Å; F175-V196 HydrophobicContact CB-CG1 4.1Å; F175-V196 HydrophobicContact CD1-CB 3.89Å; F175-V196 HydrophobicContact CD1-CG1 3.44Å; F175-V196 VanDerWaalsContact CD1-CG1 3.44Å; F175-V196 HydrophobicContact CD1-CG2 4.42Å; F175-V196 HydrophobicContact CD2-CB 4.41Å; F175-V196 HydrophobicContact CD2-CG1 4.13Å; F175-V196 HydrophobicContact CD2-CG2 4.06Å; F175-V196 HydrophobicContact CE1-CB 3.75Å; F175-V196 HydrophobicContact CE1-CG1 3.87Å; F175-V196 HydrophobicContact CE1-CG2 4.2Å; F175-V196 HydrophobicContact CE2-CB 4.29Å; F175-V196 HydrophobicContact CE2-CG1 4.49Å; F175-V196 HydrophobicContact CE2-CG2 3.82Å; F175-V196 HydrophobicContact CG-CB 4.22Å; F175-V196 HydrophobicContact CG-CG1 3.59Å; F175-V196 HydrophobicContact CG-CG2 4.35Å; F175-V196 HydrophobicContact CZ-CB 3.97Å; F175-V196 HydrophobicContact CZ-CG1 4.38Å; F175-V196 HydrophobicContact CZ-CG2 3.91Å
176V98.7Very high98.3Very high18 Ų1861.4 Ų61.411%0.10932%0.319CS..Hα-helixtrans-57.7-49.4-179.5175.30000110.8R109 V112 V172 S173 S178 A179 E180R109-V176 HydrophobicContact CB-CG1 3.87Å; R109-V176 HydrophobicContact CG-CG1 4.31Å; V112-V176 HydrophobicContact CB-CG2 3.73Å; V112-V176 HydrophobicContact CG1-CG2 3.73Å; V112-V176 HydrophobicContact CG2-CG2 3.78Å; V172-V176 PolarHBondContact O-N 2.96Å; S173-V176 PolarHBondContact O-N 3.49Å; S173-V176 VanDerWaalsContact O-N 3.15Å; V176-S178 VanDerWaalsContact C-N 3.3Å; V176-S178 PolarHBondContact O-N 3.05Å; V176-A179 WeakPolarHBondContact O-CB 3.39Å; V176-A179 PolarHBondContact O-N 3.38Å; V176-A179 VanDerWaalsContact O-N 3.07Å; V176-E180 WeakPolarHBondContact O-CG 3.45Å; V176-E180 PolarHBondContact O-N 3.43Å
177K98.6Very high98.3Very high138 Ų13861.2 Ų61.260%0.631%0.314SS*.Hα-helixtrans-57.2-44.6177.7-173.8178.8-179.8-179.20111.7S173 E174 F175 A179 E180 D181S173-K177 PolarHBondContact O-N 2.99Å; E174-K177 PolarHBondContact O-N 2.92Å; F175-K177 PolarHBondContact O-N 2.9Å; K177-A179 VanDerWaalsContact C-N 3.29Å; K177-A179 PolarHBondContact O-N 2.91Å; K177-E180 PolarHBondContact O-N 3.4Å; K177-D181 VanDerWaalsContact O-CG 3.25Å; K177-D181 PolarHBondContact O-N 3.25Å
178S98.6Very high98.2Very high0 Ų057.1 Ų57.10%030%0.299CS..Hα-helixtrans-69.5-25.3178.972.90000114.1E174 F175 V176 D181 G182 T183 Y184E174-S178 VanDerWaalsContact O-CB 3.31Å; E174-S178 WeakPolarHBondContact O-CB 3.47Å; E174-S178 PolarHBondContact O-N 3.16Å; E174-S178 PolarHBondContact O-OG 3.41Å; F175-S178 WeakPolarHBondContact CA-OG 3.45Å; F175-S178 PolarHBondContact O-N 2.87Å; F175-S178 VanDerWaalsContact O-N 3.16Å; F175-S178 PolarHBondContact O-OG 2.78Å; V176-S178 VanDerWaalsContact C-N 3.3Å; V176-S178 PolarHBondContact O-N 3.05Å; S178-D181 WeakPolarHBondContact CA-OD1 3.38Å; S178-G182 CarbonylContact O-C 3.58Å; S178-G182 PolarHBondContact O-N 3.24Å; S178-G182 VanDerWaalsContact O-N 3.15Å; S178-T183 PolarHBondContact O-N 3.23Å; S178-Y184 WeakPolarHBondContact O-CB 3.09Å; S178-Y184 PolarHBondContact O-N 2.65Å; S178-Y184 WeakPolarHBondContact OG-CA 3.34Å; S178-Y184 VanDerWaalsContact OG-CB 3.25Å; S178-Y184 WeakPolarHBondContact OG-CB 3.29Å
179A98.4Very high98.2Very high6 Ų657.7 Ų57.75%0.0530%0.301CS..Hα-helixtrans-76-35174.500000111.3F104 G105 A108 F175 V176 K177F104-A179 HydrophobicContact CD1-CB 3.74Å; F104-A179 HydrophobicContact CE1-CB 3.68Å; G105-A179 WeakPolarHBondContact CA-O 3.26Å; G105-A179 PolarHBondContact N-O 3.41Å; A108-A179 HydrophobicContact CB-CB 3.42Å; A108-A179 VanDerWaalsContact CB-CB 3.42Å; F175-A179 HydrophobicContact CE2-CB 4.39Å; F175-A179 HydrophobicContact CZ-CB 4.41Å; F175-A179 WeakPolarHBondContact O-CB 3.35Å; F175-A179 PolarHBondContact O-N 2.89Å; V176-A179 WeakPolarHBondContact O-CB 3.39Å; V176-A179 PolarHBondContact O-N 3.38Å; V176-A179 VanDerWaalsContact O-N 3.07Å; K177-A179 VanDerWaalsContact C-N 3.29Å; K177-A179 PolarHBondContact O-N 2.91Å
180E98.3Very high98.1Very high108 Ų10855.8 Ų55.851%0.50530%0.295SS..Hα-helixtrans-72-39.1175.9-69.4176.9147.200112.8R109 V176 K177R109-E180 WeakPolarHBondContact CD-OE1 3.38Å; V176-E180 WeakPolarHBondContact O-CG 3.45Å; V176-E180 PolarHBondContact O-N 3.43Å; K177-E180 PolarHBondContact O-N 3.4Å
181D97.8Very high98Very high78 Ų7854 Ų5442%0.41730%0.298SS..THydrogen-bonded Turntrans-85.8-5.8177.670.822.4000114K177 S178 T183 K187K177-D181 VanDerWaalsContact O-CG 3.25Å; K177-D181 PolarHBondContact O-N 3.25Å; S178-D181 WeakPolarHBondContact CA-OD1 3.38Å; D181-T183 VanDerWaalsContact C-N 3.35Å; D181-T183 VanDerWaalsContact CG-OG1 3.29Å; D181-T183 VanDerWaalsContact OD1-CB 3.27Å; D181-T183 WeakPolarHBondContact OD1-CB 3.5Å; D181-T183 WeakPolarHBondContact OD1-CG2 3.31Å; D181-T183 PolarHBondContact OD1-N 3.39Å; D181-T183 PolarHBondContact OD1-OG1 3.1Å; D181-T183 PolarHBondContact OD2-OG1 2.91Å; D181-K187 IonicContact OD2-NZ 3.85Å
182G97.8Very high97.9Very high50 Ų5055.7 Ų55.752%0.51531%0.307SS..THydrogen-bonded Turntrans81.12.9178.200000115.8S178S178-G182 CarbonylContact O-C 3.58Å; S178-G182 PolarHBondContact O-N 3.24Å; S178-G182 VanDerWaalsContact O-N 3.15Å
183T98.3Very high97.8Very high35 Ų3555.9 Ų55.922%0.21531%0.309CS..  trans-922.6-176.366.10000114.7S178 D181 S185 E186 K187S178-T183 PolarHBondContact O-N 3.23Å; D181-T183 VanDerWaalsContact C-N 3.35Å; D181-T183 VanDerWaalsContact CG-OG1 3.29Å; D181-T183 VanDerWaalsContact OD1-CB 3.27Å; D181-T183 WeakPolarHBondContact OD1-CB 3.5Å; D181-T183 WeakPolarHBondContact OD1-CG2 3.31Å; D181-T183 PolarHBondContact OD1-N 3.39Å; D181-T183 PolarHBondContact OD1-OG1 3.1Å; D181-T183 PolarHBondContact OD2-OG1 2.91Å; T183-S185 VanDerWaalsContact C-N 3.31Å; T183-S185 PolarHBondContact O-N 3.1Å; T183-E186 WeakPolarHBondContact O-CB 3.29Å; T183-E186 PolarHBondContact O-N 3.46Å; T183-E186 VanDerWaalsContact O-N 3.13Å; T183-K187 PolarHBondContact O-N 3.49Å; T183-K187 VanDerWaalsContact O-N 3.13Å; T183-K187 WeakPolarHBondContact OG1-CE 3.33Å; T183-K187 PolarHBondContact OG1-NZ 2.85Å
184Y98.1Very high97.8Very high41 Ų4154.7 Ų54.716%0.16129%0.293CS..THydrogen-bonded Turntrans-54.6-40.6-172.969.6-87.2000114F104 S178 K187 G188 W189 S191F104-Y184 AromaticContact CD1-CD1 3.82Å; F104-Y184 HydrophobicContact CD1-CD1 3.82Å; F104-Y184 AromaticContact CD1-CE1 3.53Å; F104-Y184 HydrophobicContact CD1-CE1 3.53Å; F104-Y184 HydrophobicContact CD1-CG 4.41Å; F104-Y184 AromaticContact CD1-CZ 3.92Å; F104-Y184 AromaticContact CE1-CD1 3.71Å; F104-Y184 HydrophobicContact CE1-CD1 3.71Å; F104-Y184 AromaticContact CE1-CD2 3.9Å; F104-Y184 HydrophobicContact CE1-CD2 3.9Å; F104-Y184 AromaticContact CE1-CE1 3.65Å; F104-Y184 HydrophobicContact CE1-CE1 3.65Å; F104-Y184 AromaticContact CE1-CE2 3.87Å; F104-Y184 HydrophobicContact CE1-CE2 3.87Å; F104-Y184 AromaticContact CE1-CG 3.83Å; F104-Y184 HydrophobicContact CE1-CG 3.83Å; F104-Y184 AromaticContact CE1-CZ 3.74Å; F104-Y184 HydrophobicContact CZ-CE2 4.38Å; S178-Y184 WeakPolarHBondContact O-CB 3.09Å; S178-Y184 PolarHBondContact O-N 2.65Å; S178-Y184 WeakPolarHBondContact OG-CA 3.34Å; S178-Y184 VanDerWaalsContact OG-CB 3.25Å; S178-Y184 WeakPolarHBondContact OG-CB 3.29Å; Y184-K187 CarbonylContact O-C 3.5Å; Y184-K187 PolarHBondContact O-N 3.02Å; Y184-G188 PolarHBondContact O-N 2.71Å; Y184-W189 HydrophobicContact CD2-CB 4.27Å; Y184-W189 WeakPolarHBondContact O-CB 3.29Å; Y184-W189 PolarHBondContact O-N 3.06Å; Y184-S191 WeakPolarHBondContact CE2-OG 3.21Å; Y184-S191 PolarHBondContact OH-OG 2.88Å
185S97.3Very high97.8Very high69 Ų6949.6 Ų49.648%0.48327%0.269SS..THydrogen-bonded Turntrans-64.3-42.8179.3-630000112T183 K187 G188T183-S185 VanDerWaalsContact C-N 3.31Å; T183-S185 PolarHBondContact O-N 3.1Å; S185-K187 PolarHBondContact O-N 3.13Å; S185-G188 PolarHBondContact O-N 2.87Å
186E97.4Very high97.8Very high172 Ų17249.6 Ų49.680%0.80427%0.269SS*.THydrogen-bonded Turntrans-64-32.7177.3-61.2173.1-179.400111.3T183 G188T183-E186 WeakPolarHBondContact O-CB 3.29Å; T183-E186 PolarHBondContact O-N 3.46Å; T183-E186 VanDerWaalsContact O-N 3.13Å; E186-G188 PolarHBondContact O-N 3.5Å
187K97.6Very high97.8Very high103 Ų10348.7 Ų48.745%0.44826%0.264SS..THydrogen-bonded Turntrans-80.82174.8-64.7179.6-174159.10113.5L155 D181 T183 Y184 S185L155-K187 VanDerWaalsContact CD1-O 3.31Å; L155-K187 WeakPolarHBondContact CD1-O 3.48Å; D181-K187 IonicContact OD2-NZ 3.85Å; T183-K187 PolarHBondContact O-N 3.49Å; T183-K187 VanDerWaalsContact O-N 3.13Å; T183-K187 WeakPolarHBondContact OG1-CE 3.33Å; T183-K187 PolarHBondContact OG1-NZ 2.85Å; Y184-K187 CarbonylContact O-C 3.5Å; Y184-K187 PolarHBondContact O-N 3.02Å; S185-K187 PolarHBondContact O-N 3.13Å
188G97.8Very high97.8Very high16 Ų1642.5 Ų42.517%0.16524%0.237CC..THydrogen-bonded Turntrans88.311.317400000115.6S152 L155 Y184 S185 E186S152-G188 PolarHBondContact N-O 3.18Å; S152-G188 VanDerWaalsContact N-O 3.09Å; L155-G188 WeakPolarHBondContact CD1-O 3.38Å; Y184-G188 PolarHBondContact O-N 2.71Å; S185-G188 PolarHBondContact O-N 2.87Å; E186-G188 PolarHBondContact O-N 3.5Å
189W98.2Very high97.8Very high11 Ų1142.5 Ų42.54%0.04224%0.237CC..  trans-85.2146.7178.1-64105.6000112.2L151 L155 F159 L171 F175 Y184 V196L151-W189 HydrophobicContact CD2-CD2 4.44Å; L151-W189 HydrophobicContact CD2-CE3 3.54Å; L151-W189 HydrophobicContact CD2-CZ3 3.84Å; L155-W189 HydrophobicContact CD1-CD2 3.57Å; L155-W189 HydrophobicContact CD1-CE3 3.95Å; L155-W189 HydrophobicContact CD1-CG 3.95Å; L155-W189 HydrophobicContact CD1-CH2 4.38Å; L155-W189 HydrophobicContact CD1-CZ2 4.03Å; L155-W189 HydrophobicContact CD1-CZ3 4.33Å; L155-W189 HydrophobicContact CD2-CH2 4Å; L155-W189 HydrophobicContact CD2-CZ2 3.62Å; L155-W189 HydrophobicContact CG-CZ2 4.49Å; F159-W189 AromaticContact CE2-CH2 3.6Å; F159-W189 HydrophobicContact CE2-CH2 3.6Å; F159-W189 AromaticContact CE2-CZ3 3.58Å; F159-W189 HydrophobicContact CE2-CZ3 3.58Å; F159-W189 AromaticContact CZ-CH2 3.75Å; F159-W189 HydrophobicContact CZ-CH2 3.75Å; F159-W189 AromaticContact CZ-CZ3 3.85Å; F159-W189 HydrophobicContact CZ-CZ3 3.85Å; L171-W189 HydrophobicContact CD1-CH2 4.39Å; L171-W189 HydrophobicContact CD1-CZ2 4.14Å; L171-W189 HydrophobicContact CG-CH2 3.92Å; L171-W189 HydrophobicContact CG-CZ2 4.12Å; L171-W189 VanDerWaalsContact O-CZ2 3.32Å; L171-W189 WeakPolarHBondContact O-CZ2 3.45Å; F175-W189 HydrophobicContact CB-CD2 3.82Å; F175-W189 HydrophobicContact CB-CE3 4.03Å; F175-W189 HydrophobicContact CB-CG 4.41Å; F175-W189 HydrophobicContact CB-CH2 3.97Å; F175-W189 HydrophobicContact CB-CZ2 3.78Å; F175-W189 HydrophobicContact CB-CZ3 4.1Å; F175-W189 HydrophobicContact CD2-CB 3.85Å; F175-W189 AromaticContact CD2-CD2 3.75Å; F175-W189 HydrophobicContact CD2-CD2 3.75Å; F175-W189 AromaticContact CD2-CE3 3.94Å; F175-W189 HydrophobicContact CD2-CE3 3.94Å; F175-W189 AromaticContact CD2-CG 3.7Å; F175-W189 HydrophobicContact CD2-CG 3.7Å; F175-W189 HydrophobicContact CE2-CB 4.26Å; F175-W189 HydrophobicContact CG-CD2 4.18Å; F175-W189 HydrophobicContact CG-CE3 4.22Å; Y184-W189 HydrophobicContact CD2-CB 4.27Å; Y184-W189 WeakPolarHBondContact O-CB 3.29Å; Y184-W189 PolarHBondContact O-N 3.06Å; W189-V196 HydrophobicContact CE3-CG1 4.1Å; W189-V196 HydrophobicContact CE3-CG2 4.12Å; W189-V196 HydrophobicContact CZ3-CG1 3.81Å
190P96.6Very high97.8Very high13 Ų1342.2 Ų42.28%0.08423%0.234CC..  trans-75.2152.1171.632.3-36.4000111.6K150 L151 N192 V196K150-P190 HydrophobicContact CB-CB 4.13Å; L151-P190 HydrophobicContact CD2-CG 4.41Å; P190-N192 PolarHBondContact O-N 3.35Å; P190-V196 HydrophobicContact CG-CG2 3.79Å
191S95.5Very high97.8Very high81 Ų8137.2 Ų37.257%0.56621%0.211SC*.SBendtrans-72.151.1169.4-46.60000112.7Y184Y184-S191 WeakPolarHBondContact CE2-OG 3.21Å; Y184-S191 PolarHBondContact OH-OG 2.88Å
192N96Very high97.9Very high46 Ų4633.5 Ų33.525%0.24619%0.191CC..  trans-145.686.6-178.1-175.1-0.9000111.4S147 P190 Y194 G195 V196S147-N192 PolarHBondContact OG-ND2 3.04Å; P190-N192 PolarHBondContact O-N 3.35Å; N192-Y194 PolarHBondContact O-N 2.74Å; N192-Y194 PolarHBondContact OD1-N 3.32Å; N192-G195 WeakPolarHBondContact O-CA 2.96Å; N192-G195 PolarHBondContact O-N 2.93Å; N192-G195 VanDerWaalsContact O-N 3.1Å; N192-G195 PolarHBondContact OD1-N 3.28Å; N192-V196 PolarHBondContact O-N 3.46Å
193A97.9Very high97.9Very high4 Ų432.1 Ų32.13%0.03317%0.171CC..Hα-helixtrans-55.3-45178.800000113.5F104 Q107 A108 F175 G195 V196 S197F104-A193 HydrophobicContact CE2-CB 4.07Å; F104-A193 HydrophobicContact CZ-CB 4.45Å; Q107-A193 HydrophobicContact CB-CB 4.3Å; A108-A193 HydrophobicContact CB-CB 4.18Å; F175-A193 HydrophobicContact CE1-CB 4.47Å; F175-A193 HydrophobicContact CZ-CB 4.25Å; A193-G195 VanDerWaalsContact C-N 3.33Å; A193-G195 PolarHBondContact O-N 2.93Å; A193-V196 PolarHBondContact O-N 3.01Å; A193-S197 WeakPolarHBondContact O-CB 3.49Å; A193-S197 PolarHBondContact O-N 3.4Å
194Y98.2Very high97.9Very high52 Ų5230.5 Ų30.520%0.20416%0.161CC..Hα-helixtrans-60.6-46175.4177.3-105.4000111.1I94 A95 T111 I143 N192 V196 S197 K198 M233I94-Y194 WeakPolarHBondContact O-CD2 3.36Å; A95-Y194 HydrophobicContact CB-CD2 3.68Å; A95-Y194 HydrophobicContact CB-CE2 4.03Å; A95-Y194 HydrophobicContact CB-CG 4.17Å; T111-Y194 HydrophobicContact CG2-CD2 4.24Å; I143-Y194 HydrophobicContact CB-CD1 4.47Å; I143-Y194 HydrophobicContact CB-CE1 4.27Å; I143-Y194 HydrophobicContact CG1-CD1 4.41Å; I143-Y194 HydrophobicContact CG2-CD1 3.73Å; I143-Y194 HydrophobicContact CG2-CE1 3.52Å; N192-Y194 PolarHBondContact O-N 2.74Å; N192-Y194 PolarHBondContact OD1-N 3.32Å; Y194-V196 PolarHBondContact O-N 3.36Å; Y194-S197 PolarHBondContact O-N 3.43Å; Y194-S197 PolarHBondContact O-OG 3.07Å; Y194-K198 HydrophobicContact CE1-CG 4.24Å; Y194-K198 HydrophobicContact CE2-CG 4.13Å; Y194-K198 WeakPolarHBondContact O-CG 3.14Å; Y194-K198 PolarHBondContact O-N 3.34Å; Y194-K198 VanDerWaalsContact O-N 3.07Å; Y194-M233 HydrophobicContact CE2-SD 4.36Å
195G98.2Very high98Very high0 Ų028.6 Ų28.60%015%0.153CC..Hα-helixtrans-53.1-51.6174.500000113.6S147 N192 A193 K198 I199S147-G195 WeakPolarHBondContact OG-CA 3.49Å; N192-G195 WeakPolarHBondContact O-CA 2.96Å; N192-G195 PolarHBondContact O-N 2.93Å; N192-G195 VanDerWaalsContact O-N 3.1Å; N192-G195 PolarHBondContact OD1-N 3.28Å; A193-G195 VanDerWaalsContact C-N 3.33Å; A193-G195 PolarHBondContact O-N 2.93Å; G195-K198 PolarHBondContact O-N 2.72Å; G195-I199 WeakPolarHBondContact O-CG1 3.38Å; G195-I199 PolarHBondContact O-N 3.38Å
196V98.5Very high98Very high0 Ų027.1 Ų27.10%014%0.139CC..Hα-helixtrans-64.9-41179.2179.70000111.4F175 W189 P190 N192 A193 Y194 K198 I199 G200F175-V196 HydrophobicContact CB-CG1 4.1Å; F175-V196 HydrophobicContact CD1-CB 3.89Å; F175-V196 HydrophobicContact CD1-CG1 3.44Å; F175-V196 VanDerWaalsContact CD1-CG1 3.44Å; F175-V196 HydrophobicContact CD1-CG2 4.42Å; F175-V196 HydrophobicContact CD2-CB 4.41Å; F175-V196 HydrophobicContact CD2-CG1 4.13Å; F175-V196 HydrophobicContact CD2-CG2 4.06Å; F175-V196 HydrophobicContact CE1-CB 3.75Å; F175-V196 HydrophobicContact CE1-CG1 3.87Å; F175-V196 HydrophobicContact CE1-CG2 4.2Å; F175-V196 HydrophobicContact CE2-CB 4.29Å; F175-V196 HydrophobicContact CE2-CG1 4.49Å; F175-V196 HydrophobicContact CE2-CG2 3.82Å; F175-V196 HydrophobicContact CG-CB 4.22Å; F175-V196 HydrophobicContact CG-CG1 3.59Å; F175-V196 HydrophobicContact CG-CG2 4.35Å; F175-V196 HydrophobicContact CZ-CB 3.97Å; F175-V196 HydrophobicContact CZ-CG1 4.38Å; F175-V196 HydrophobicContact CZ-CG2 3.91Å; W189-V196 HydrophobicContact CE3-CG1 4.1Å; W189-V196 HydrophobicContact CE3-CG2 4.12Å; W189-V196 HydrophobicContact CZ3-CG1 3.81Å; P190-V196 HydrophobicContact CG-CG2 3.79Å; N192-V196 PolarHBondContact O-N 3.46Å; A193-V196 PolarHBondContact O-N 3.01Å; Y194-V196 PolarHBondContact O-N 3.36Å; V196-K198 PolarHBondContact O-N 2.85Å; V196-I199 WeakPolarHBondContact O-CB 3.49Å; V196-I199 PolarHBondContact O-N 3.27Å; V196-I199 VanDerWaalsContact O-N 3.11Å; V196-G200 PolarHBondContact O-N 3.46Å
197S98.8Very high98.1Very high0 Ų019.8 Ų19.80%011%0.105CC..Hα-helixtrans-57.8-37.8176.179.70000112.6N115 A193 Y194 L201N115-S197 WeakPolarHBondContact CB-OG 3.28Å; N115-S197 PolarHBondContact ND2-OG 3.23Å; N115-S197 VanDerWaalsContact ND2-OG 3.08Å; A193-S197 WeakPolarHBondContact O-CB 3.49Å; A193-S197 PolarHBondContact O-N 3.4Å; Y194-S197 PolarHBondContact O-N 3.43Å; Y194-S197 PolarHBondContact O-OG 3.07Å; S197-L201 WeakPolarHBondContact O-CB 3.24Å; S197-L201 PolarHBondContact O-N 3.37Å
198K98.6Very high98.1Very high7 Ų715 Ų153%0.038%0.084CC..Hα-helixtrans-79.1-26.9178.3-64.5-60.5-169.7179.30113V139 S140 I143 S144 Y194 G195 V196 L201 T202V139-K198 PolarHBondContact O-NZ 3.32Å; S140-K198 PolarHBondContact OG-O 3.42Å; I143-K198 HydrophobicContact CG2-CB 4.1Å; I143-K198 HydrophobicContact CG2-CG 4.21Å; S144-K198 WeakPolarHBondContact CB-O 3.49Å; S144-K198 VanDerWaalsContact OG-CB 3.26Å; S144-K198 WeakPolarHBondContact OG-CB 3.47Å; S144-K198 PolarHBondContact OG-O 2.86Å; Y194-K198 HydrophobicContact CE1-CG 4.24Å; Y194-K198 HydrophobicContact CE2-CG 4.13Å; Y194-K198 WeakPolarHBondContact O-CG 3.14Å; Y194-K198 PolarHBondContact O-N 3.34Å; Y194-K198 VanDerWaalsContact O-N 3.07Å; G195-K198 PolarHBondContact O-N 2.72Å; V196-K198 PolarHBondContact O-N 2.85Å; K198-L201 HydrophobicContact CD-CD2 3.98Å; K198-T202 WeakPolarHBondContact O-CB 3.4Å; K198-T202 PolarHBondContact O-N 2.94Å; K198-T202 PolarHBondContact O-OG1 3.11Å
199I98.6Very high98.1Very high0 Ų014.7 Ų14.70%08%0.081CC..Hα-helixtrans-62-52.5169.4-67.8159.7000108.4S144 L148 L151 F159 G195 V196 L201 T202 K203S144-I199 WeakPolarHBondContact O-CG1 3.44Å; L148-I199 HydrophobicContact CB-CD1 4.48Å; L148-I199 HydrophobicContact CB-CG1 4.29Å; L148-I199 HydrophobicContact CD1-CG2 3.97Å; L151-I199 HydrophobicContact CD1-CD1 4.27Å; F159-I199 HydrophobicContact CB-CG2 4.43Å; F159-I199 HydrophobicContact CD1-CG2 3.44Å; F159-I199 VanDerWaalsContact CD1-CG2 3.44Å; F159-I199 HydrophobicContact CD2-CG2 4.06Å; F159-I199 HydrophobicContact CE1-CG2 3.52Å; F159-I199 HydrophobicContact CE2-CG2 4.14Å; F159-I199 HydrophobicContact CG-CG2 3.72Å; F159-I199 HydrophobicContact CZ-CG2 3.88Å; G195-I199 WeakPolarHBondContact O-CG1 3.38Å; G195-I199 PolarHBondContact O-N 3.38Å; V196-I199 WeakPolarHBondContact O-CB 3.49Å; V196-I199 PolarHBondContact O-N 3.27Å; V196-I199 VanDerWaalsContact O-N 3.11Å; I199-L201 VanDerWaalsContact C-N 3.34Å; I199-L201 PolarHBondContact O-N 3.26Å; I199-T202 PolarHBondContact O-N 2.94Å; I199-K203 WeakPolarHBondContact O-CB 3.34Å; I199-K203 PolarHBondContact O-N 3.25Å
200G98.6Very high98.1Very high0 Ų019 Ų190%010%0.101CC..Hα-helixtrans-55.8-48.7176.800000111.7F116 V196 T202 K203 A204F116-G200 VanDerWaalsContact CE2-C 3.47Å; F116-G200 WeakPolarHBondContact CE2-O 3.39Å; V196-G200 PolarHBondContact O-N 3.46Å; G200-T202 PolarHBondContact O-N 3Å; G200-K203 PolarHBondContact O-N 3.07Å; G200-A204 WeakPolarHBondContact O-CB 3.43Å; G200-A204 PolarHBondContact O-N 2.94Å
201L98.8Very high98.1Very high3 Ų324.4 Ų24.42%0.01613%0.127CC..Hα-helixtrans-62.2-43.1-179-176.162.3000112.8N115 T119 T138 S197 K198 I199 A204 S205N115-L201 WeakPolarHBondContact O-CD2 3.44Å; T119-L201 HydrophobicContact CG2-CD1 3.59Å; T138-L201 HydrophobicContact CG2-CD1 3.47Å; T138-L201 VanDerWaalsContact CG2-CD1 3.47Å; T138-L201 HydrophobicContact CG2-CD2 3.69Å; T138-L201 HydrophobicContact CG2-CG 3.42Å; T138-L201 VanDerWaalsContact CG2-CG 3.42Å; S197-L201 WeakPolarHBondContact O-CB 3.24Å; S197-L201 PolarHBondContact O-N 3.37Å; K198-L201 HydrophobicContact CD-CD2 3.98Å; I199-L201 VanDerWaalsContact C-N 3.34Å; I199-L201 PolarHBondContact O-N 3.26Å; L201-A204 PolarHBondContact O-N 2.9Å; L201-S205 PolarHBondContact O-N 3.46Å
202T98.7Very high98.2Very high0 Ų021.2 Ų21.20%010%0.103CC..Hα-helixtrans-65.1-44.6177.9-52.70000110.9S140 S144 K198 I199 G200 A204 S205 F206 F266 W275S140-T202 WeakPolarHBondContact CB-OG1 3.41Å; S140-T202 PolarHBondContact OG-OG1 2.96Å; S144-T202 PolarHBondContact OG-OG1 3Å; K198-T202 WeakPolarHBondContact O-CB 3.4Å; K198-T202 PolarHBondContact O-N 2.94Å; K198-T202 PolarHBondContact O-OG1 3.11Å; I199-T202 PolarHBondContact O-N 2.94Å; G200-T202 PolarHBondContact O-N 3Å; T202-A204 VanDerWaalsContact C-N 3.34Å; T202-A204 PolarHBondContact O-N 3.26Å; T202-S205 WeakPolarHBondContact O-CB 3.21Å; T202-S205 PolarHBondContact O-N 3.1Å; T202-F206 HydrophobicContact CG2-CE1 4.28Å; T202-F206 HydrophobicContact CG2-CE2 3.93Å; T202-F206 HydrophobicContact CG2-CZ 3.77Å; T202-F206 PolarHBondContact O-N 3.47Å; T202-F206 VanDerWaalsContact O-N 3.11Å; T202-F266 HydrophobicContact CG2-CB 4.34Å; T202-F266 HydrophobicContact CG2-CD2 3.82Å; T202-F266 HydrophobicContact CG2-CG 4.42Å; T202-W275 HydrophobicContact CG2-CD2 3.8Å; T202-W275 VanDerWaalsContact CG2-CE2 3.4Å; T202-W275 HydrophobicContact CG2-CE3 4.32Å; T202-W275 HydrophobicContact CG2-CG 4.21Å; T202-W275 HydrophobicContact CG2-CH2 3.86Å; T202-W275 HydrophobicContact CG2-CZ2 3.39Å; T202-W275 HydrophobicContact CG2-CZ3 4.39Å; T202-W275 WeakPolarHBondContact OG1-CH2 3.4Å; T202-W275 WeakPolarHBondContact OG1-CZ2 3.5Å
203K98.6Very high98.2Very high22 Ų2225 Ų2510%0.09612%0.117CC..Hα-helixtrans-64.7-39.7178-175.755.6174.6-162.50111.9F159 S161 I163 L168 I199 G200 S205 F206 I207F159-K203 HydrophobicContact CD1-CB 4.31Å; F159-K203 HydrophobicContact CD1-CG 4.41Å; F159-K203 WeakPolarHBondContact O-CD 3.25Å; F159-K203 WeakPolarHBondContact O-CE 3.35Å; F159-K203 PolarHBondContact O-NZ 3.11Å; S161-K203 WeakPolarHBondContact O-CE 3.42Å; S161-K203 PolarHBondContact O-NZ 3.27Å; I163-K203 HydrophobicContact CG2-CD 4.37Å; I163-K203 HydrophobicContact CG2-CG 4.19Å; L168-K203 HydrophobicContact CD1-CB 4.09Å; L168-K203 HydrophobicContact CD1-CG 3.92Å; L168-K203 HydrophobicContact CD2-CB 4.04Å; L168-K203 HydrophobicContact CD2-CG 3.97Å; I199-K203 WeakPolarHBondContact O-CB 3.34Å; I199-K203 PolarHBondContact O-N 3.25Å; G200-K203 PolarHBondContact O-N 3.07Å; K203-S205 VanDerWaalsContact C-N 3.33Å; K203-S205 PolarHBondContact O-N 3.39Å; K203-F206 HydrophobicContact CD-CD2 4.4Å; K203-F206 WeakPolarHBondContact O-CB 3.28Å; K203-F206 PolarHBondContact O-N 2.68Å; K203-F206 VanDerWaalsContact O-N 3.11Å; K203-I207 HydrophobicContact CG-CD1 4.25Å; K203-I207 WeakPolarHBondContact O-CG1 3.36Å; K203-I207 PolarHBondContact O-N 2.98Å
204A98.7Very high98.2Very high0 Ų031.3 Ų31.30%015%0.151CC..Hα-helixtrans-61.3-42.4174.600000111.6F116 I120 L165 L168 G200 L201 T202 F206 I207 F208F116-A204 HydrophobicContact CE2-CB 4.14Å; I120-A204 HydrophobicContact CG2-CB 3.49Å; I120-A204 VanDerWaalsContact CG2-CB 3.49Å; L165-A204 HydrophobicContact CD1-CB 4.24Å; L168-A204 HydrophobicContact CD2-CB 3.81Å; G200-A204 WeakPolarHBondContact O-CB 3.43Å; G200-A204 PolarHBondContact O-N 2.94Å; L201-A204 PolarHBondContact O-N 2.9Å; T202-A204 VanDerWaalsContact C-N 3.34Å; T202-A204 PolarHBondContact O-N 3.26Å; A204-F206 PolarHBondContact O-N 3.43Å; A204-I207 PolarHBondContact O-N 3.35Å; A204-I207 VanDerWaalsContact O-N 3.12Å; A204-F208 HydrophobicContact CB-CE2 4.39Å; A204-F208 WeakPolarHBondContact O-CD2 3.09Å; A204-F208 PolarHBondContact O-N 3.4Å
205S98.6Very high98.1Very high1 Ų130.3 Ų30.31%0.00715%0.149CC..Hα-helixtrans-55.9-40.8173.2-169.70000111.8L201 T202 K203 G209 N264L201-S205 PolarHBondContact O-N 3.46Å; T202-S205 WeakPolarHBondContact O-CB 3.21Å; T202-S205 PolarHBondContact O-N 3.1Å; K203-S205 VanDerWaalsContact C-N 3.33Å; K203-S205 PolarHBondContact O-N 3.39Å; S205-G209 PolarHBondContact O-N 2.92Å; S205-N264 PolarHBondContact O-OD1 2.94Å
206F98.4Very high98.1Very high39 Ų3935.9 Ų35.917%0.17119%0.185CC..Hα-helixtrans-65.2-41176-63.3-22.5000113.5T202 K203 A204 G209 E210 N264 F266 W275T202-F206 HydrophobicContact CG2-CE1 4.28Å; T202-F206 HydrophobicContact CG2-CE2 3.93Å; T202-F206 HydrophobicContact CG2-CZ 3.77Å; T202-F206 PolarHBondContact O-N 3.47Å; T202-F206 VanDerWaalsContact O-N 3.11Å; K203-F206 HydrophobicContact CD-CD2 4.4Å; K203-F206 WeakPolarHBondContact O-CB 3.28Å; K203-F206 PolarHBondContact O-N 2.68Å; K203-F206 VanDerWaalsContact O-N 3.11Å; A204-F206 PolarHBondContact O-N 3.43Å; F206-G209 PolarHBondContact O-N 3.03Å; F206-E210 WeakPolarHBondContact O-CB 3.47Å; F206-E210 PolarHBondContact O-N 3.05Å; F206-N264 WeakPolarHBondContact CA-OD1 3.49Å; F206-N264 PolarHBondContact O-ND2 2.87Å; F206-N264 PolarHBondContact O-OD1 2.96Å; F206-F266 HydrophobicContact CE1-CB 4.29Å; F206-F266 HydrophobicContact CZ-CB 3.89Å; F206-W275 HydrophobicContact CE2-CB 3.83Å; F206-W275 AromaticContact CE2-CD1 3.81Å; F206-W275 AromaticContact CE2-CG 3.89Å; F206-W275 HydrophobicContact CE2-CG 3.89Å; F206-W275 HydrophobicContact CZ-CB 3.92Å; F206-W275 HydrophobicContact CZ-CG 4.17Å
207I98.6Very high98Very high17 Ų1738.7 Ų38.79%0.08720%0.196CC..Hα-helixtrans-64.3-47.6177.7-65.7167.3000110.2I163 L165 L168 K203 A204 G209 E210 M211I163-I207 HydrophobicContact CG2-CD1 3.93Å; I163-I207 WeakPolarHBondContact O-CD1 3.43Å; L165-I207 HydrophobicContact CB-CG2 4.16Å; L168-I207 HydrophobicContact CB-CD1 4.1Å; L168-I207 HydrophobicContact CD2-CD1 3.66Å; L168-I207 HydrophobicContact CG-CD1 4.49Å; K203-I207 HydrophobicContact CG-CD1 4.25Å; K203-I207 WeakPolarHBondContact O-CG1 3.36Å; K203-I207 PolarHBondContact O-N 2.98Å; A204-I207 PolarHBondContact O-N 3.35Å; A204-I207 VanDerWaalsContact O-N 3.12Å; I207-G209 PolarHBondContact O-N 2.8Å; I207-E210 PolarHBondContact O-N 3.46Å; I207-M211 HydrophobicContact CG2-CG 4.43Å; I207-M211 HydrophobicContact CG2-SD 3.91Å; I207-M211 VanDerWaalsContact O-CG 3.28Å; I207-M211 WeakPolarHBondContact O-CG 3.38Å; I207-M211 PolarHBondContact O-N 2.89Å
208F98.5Very high98Very high4 Ų443.5 Ų43.52%0.01822%0.218CC..Hα-helixtrans-62.7-41.3177.2-73.4-62.5000112.5I120 M123 E124 I127 L165 A204 E210 M211 L212 I221I120-F208 HydrophobicContact CB-CE2 4.18Å; I120-F208 HydrophobicContact CB-CZ 4.46Å; I120-F208 HydrophobicContact CG2-CE2 4.2Å; M123-F208 HydrophobicContact CB-CD2 4.41Å; M123-F208 HydrophobicContact CB-CE2 3.83Å; M123-F208 HydrophobicContact CB-CZ 3.9Å; M123-F208 HydrophobicContact CE-CB 4.16Å; M123-F208 HydrophobicContact CE-CD2 3.37Å; M123-F208 HydrophobicContact CE-CE2 3.91Å; M123-F208 HydrophobicContact CE-CG 3.91Å; M123-F208 HydrophobicContact CG-CE2 4.49Å; M123-F208 HydrophobicContact SD-CD2 3.94Å; M123-F208 HydrophobicContact SD-CE2 3.91Å; E124-F208 HydrophobicContact CG-CE1 3.79Å; E124-F208 HydrophobicContact CG-CZ 3.72Å; I127-F208 HydrophobicContact CD1-CB 4.36Å; I127-F208 HydrophobicContact CD1-CD1 3.33Å; I127-F208 HydrophobicContact CD1-CE1 3.66Å; I127-F208 HydrophobicContact CD1-CG 3.91Å; I127-F208 HydrophobicContact CD1-CZ 4.47Å; L165-F208 HydrophobicContact CD1-CE2 4.39Å; L165-F208 HydrophobicContact CD1-CZ 4.36Å; L165-F208 HydrophobicContact CD2-CE1 3.94Å; L165-F208 HydrophobicContact CD2-CE2 4.47Å; L165-F208 HydrophobicContact CD2-CZ 3.66Å; A204-F208 HydrophobicContact CB-CE2 4.39Å; A204-F208 WeakPolarHBondContact O-CD2 3.09Å; A204-F208 PolarHBondContact O-N 3.4Å; F208-E210 VanDerWaalsContact C-N 3.31Å; F208-E210 PolarHBondContact O-N 3.49Å; F208-M211 HydrophobicContact CD1-SD 4.31Å; F208-M211 PolarHBondContact O-N 3.26Å; F208-L212 WeakPolarHBondContact O-CB 3.37Å; F208-L212 WeakPolarHBondContact O-CG 3.42Å; F208-L212 PolarHBondContact O-N 3.35Å; F208-I221 HydrophobicContact CB-CD1 4.05Å
209G97.9Very high97.9Very high9 Ų943.8 Ų43.89%0.09322%0.22CC..Hα-helixtrans-64.2-36.5175.900000112.6S205 F206 I207 L212 K213 N264S205-G209 PolarHBondContact O-N 2.92Å; F206-G209 PolarHBondContact O-N 3.03Å; I207-G209 PolarHBondContact O-N 2.8Å; G209-L212 PolarHBondContact O-N 3.06Å; G209-K213 PolarHBondContact O-N 2.9Å; G209-K213 VanDerWaalsContact O-N 3.13Å; G209-N264 WeakPolarHBondContact CA-OD1 3.31Å
210E97.8Very high97.9Very high100 Ų10044.3 Ų44.347%0.46722%0.223SC..Hα-helixtrans-67.8-40.5173.9-174.562.5-158.100111.7F206 I207 F208 L212 K213 N264F206-E210 WeakPolarHBondContact O-CB 3.47Å; F206-E210 PolarHBondContact O-N 3.05Å; I207-E210 PolarHBondContact O-N 3.46Å; F208-E210 VanDerWaalsContact C-N 3.31Å; F208-E210 PolarHBondContact O-N 3.49Å; E210-L212 PolarHBondContact O-N 2.67Å; E210-K213 WeakPolarHBondContact O-CD 3.41Å; E210-K213 VanDerWaalsContact O-CG 3.31Å; E210-K213 WeakPolarHBondContact O-CG 3.39Å; E210-K213 PolarHBondContact O-N 3.49Å; E210-K213 VanDerWaalsContact OE1-CD 3.25Å; E210-K213 WeakPolarHBondContact OE1-CD 3.5Å; E210-K213 IonicContact OE1-NZ 3.16Å; E210-K213 PolarHBondContact OE1-NZ 3.1Å; E210-N264 PolarHBondContact N-ND2 3.16Å
211M97.3Very high97.9Very high127 Ų12744.4 Ų44.463%0.62622%0.224SC*.Hα-helixtrans-63.1-30.2176.2-71.9170.263.300112.9I207 F208I207-M211 HydrophobicContact CG2-CG 4.43Å; I207-M211 HydrophobicContact CG2-SD 3.91Å; I207-M211 VanDerWaalsContact O-CG 3.28Å; I207-M211 WeakPolarHBondContact O-CG 3.38Å; I207-M211 PolarHBondContact O-N 2.89Å; F208-M211 HydrophobicContact CD1-SD 4.31Å; F208-M211 PolarHBondContact O-N 3.26Å
212L97.1Very high97.9Very high15 Ų1544.3 Ų44.38%0.07922%0.223CC..THydrogen-bonded Turntrans-100.83.5-176-64.9171.5000113.6I127 F208 G209 E210 D214 D215 I219 I221I127-L212 HydrophobicContact CD1-CD1 4.35Å; I127-L212 HydrophobicContact CG1-CD1 4.45Å; I127-L212 HydrophobicContact CG2-CD1 4.18Å; I127-L212 HydrophobicContact CG2-CD2 4Å; F208-L212 WeakPolarHBondContact O-CB 3.37Å; F208-L212 WeakPolarHBondContact O-CG 3.42Å; F208-L212 PolarHBondContact O-N 3.35Å; G209-L212 PolarHBondContact O-N 3.06Å; E210-L212 PolarHBondContact O-N 2.67Å; L212-D214 PolarHBondContact O-N 3.04Å; L212-D215 HydrophobicContact CB-CB 4.37Å; L212-D215 HydrophobicContact CD2-CB 4.19Å; L212-D215 WeakPolarHBondContact CD2-OD2 3.13Å; L212-D215 VanDerWaalsContact O-CB 3.28Å; L212-D215 WeakPolarHBondContact O-CB 3.38Å; L212-D215 PolarHBondContact O-N 2.94Å; L212-I219 HydrophobicContact CD1-CD1 4.45Å; L212-I219 HydrophobicContact CD1-CG2 4.09Å; L212-I219 HydrophobicContact CD2-CD1 4.32Å; L212-I221 HydrophobicContact CD1-CD1 3.49Å; L212-I221 VanDerWaalsContact CD1-CD1 3.49Å; L212-I221 HydrophobicContact CD1-CG1 4.2Å
213K96.5Very high97.9Very high124 Ų12444.3 Ų44.354%0.53922%0.223SC..THydrogen-bonded Turntrans-58.2-33.7-173.776.8-169.3-175.3-168.50113.7G209 E210G209-K213 PolarHBondContact O-N 2.9Å; G209-K213 VanDerWaalsContact O-N 3.13Å; E210-K213 WeakPolarHBondContact O-CD 3.41Å; E210-K213 VanDerWaalsContact O-CG 3.31Å; E210-K213 WeakPolarHBondContact O-CG 3.39Å; E210-K213 PolarHBondContact O-N 3.49Å; E210-K213 VanDerWaalsContact OE1-CD 3.25Å; E210-K213 WeakPolarHBondContact OE1-CD 3.5Å; E210-K213 IonicContact OE1-NZ 3.16Å; E210-K213 PolarHBondContact OE1-NZ 3.1Å
214D96.4Very high97.9Very high138 Ų13843.3 Ų43.374%0.73822%0.219SC*.THydrogen-bonded Turntrans-107.611.5-178.8-58.6-49.1000111.9L212L212-D214 PolarHBondContact O-N 3.04Å
215D97Very high97.9Very high31 Ų3143.3 Ų43.317%0.16622%0.219CC..  trans-66.5127178.7-169.3-56.2000110L212 R217 E218L212-D215 HydrophobicContact CB-CB 4.37Å; L212-D215 HydrophobicContact CD2-CB 4.19Å; L212-D215 WeakPolarHBondContact CD2-OD2 3.13Å; L212-D215 VanDerWaalsContact O-CB 3.28Å; L212-D215 WeakPolarHBondContact O-CB 3.38Å; L212-D215 PolarHBondContact O-N 2.94Å; D215-R217 PolarHBondContact O-N 3.43Å; D215-R217 WeakPolarHBondContact OD1-CB 3.35Å; D215-R217 VanDerWaalsContact OD1-CG 3.29Å; D215-R217 WeakPolarHBondContact OD1-CG 3.43Å; D215-R217 IonicContact OD1-CZ 3.62Å; D215-R217 PolarHBondContact OD1-N 3.29Å; D215-R217 IonicContact OD1-NE 2.62Å; D215-R217 PolarHBondContact OD1-NE 2.78Å; D215-R217 IonicContact OD1-NH2 3.13Å; D215-R217 IonicContact OD2-CZ 2.84Å; D215-R217 IonicContact OD2-NE 2.71Å; D215-R217 PolarHBondContact OD2-NE 2.76Å; D215-R217 IonicContact OD2-NH2 2.68Å; D215-R217 PolarHBondContact OD2-NH2 3.23Å; D215-E218 PolarHBondContact O-N 3.44Å
216P97.5Very high97.9Very high117 Ų11743.9 Ų43.976%0.7622%0.222SC*.THydrogen-bonded Turntrans-63.9-11.8-177.327.5-36.8000113.6E218P216-E218 VanDerWaalsContact C-N 3.27Å
217R97.8Very high97.8Very high58 Ų5842.7 Ų42.722%0.21922%0.222CC..THydrogen-bonded Turntrans-76.5-10.5173.5-62.8174-70.3170.8-1.4112.7I127 P128 L130 K132 H133 D215 I219I127-R217 PolarHBondContact O-NH1 2.78Å; P128-R217 PolarHBondContact O-NH1 3.13Å; L130-R217 WeakPolarHBondContact O-CD 3.37Å; L130-R217 PolarHBondContact O-NH1 3.48Å; K132-R217 CarbonylContact C-O 3.47Å; K132-R217 WeakPolarHBondContact CA-O 3.49Å; H133-R217 PolarHBondContact N-O 3Å; D215-R217 PolarHBondContact O-N 3.43Å; D215-R217 WeakPolarHBondContact OD1-CB 3.35Å; D215-R217 VanDerWaalsContact OD1-CG 3.29Å; D215-R217 WeakPolarHBondContact OD1-CG 3.43Å; D215-R217 IonicContact OD1-CZ 3.62Å; D215-R217 PolarHBondContact OD1-N 3.29Å; D215-R217 IonicContact OD1-NE 2.62Å; D215-R217 PolarHBondContact OD1-NE 2.78Å; D215-R217 IonicContact OD1-NH2 3.13Å; D215-R217 IonicContact OD2-CZ 2.84Å; D215-R217 IonicContact OD2-NE 2.71Å; D215-R217 PolarHBondContact OD2-NE 2.76Å; D215-R217 IonicContact OD2-NH2 2.68Å; D215-R217 PolarHBondContact OD2-NH2 3.23Å; R217-I219 VanDerWaalsContact C-N 3.34Å; R217-I219 HydrophobicContact CB-CD1 4.05Å; R217-I219 HydrophobicContact CB-CG1 3.92Å; R217-I219 VanDerWaalsContact CZ-CD1 3.48Å; R217-I219 PolarHBondContact O-N 3.12Å
218E97.6Very high97.7Very high101 Ų10147.1 Ų47.147%0.47224%0.238SC..  trans55.846.5-179.3-58.5176.379.300112.7H133 D215 P216H133-E218 IonicContact CE1-OE2 2.71Å; H133-E218 PolarHBondContact CE1-OE2 2.8Å; H133-E218 IonicContact ND1-OE2 3.09Å; D215-E218 PolarHBondContact O-N 3.44Å; P216-E218 VanDerWaalsContact C-N 3.27Å
219I98Very high97.5Very high13 Ų1347 Ų477%0.06724%0.238CC..  trans-71.3136178.6-64.6161.1000109.3L130 A134 V136 L212 R217 I221L130-I219 HydrophobicContact CB-CD1 3.81Å; L130-I219 HydrophobicContact CB-CG1 4.31Å; L130-I219 HydrophobicContact CD1-CD1 3.84Å; L130-I219 HydrophobicContact CD1-CG1 4.37Å; L130-I219 HydrophobicContact CD1-CG2 3.88Å; L130-I219 HydrophobicContact CG-CD1 4.49Å; A134-I219 HydrophobicContact CB-CG1 4.33Å; V136-I219 HydrophobicContact CG2-CG2 4.29Å; L212-I219 HydrophobicContact CD1-CD1 4.45Å; L212-I219 HydrophobicContact CD1-CG2 4.09Å; L212-I219 HydrophobicContact CD2-CD1 4.32Å; R217-I219 VanDerWaalsContact C-N 3.34Å; R217-I219 HydrophobicContact CB-CD1 4.05Å; R217-I219 HydrophobicContact CB-CG1 3.92Å; R217-I219 VanDerWaalsContact CZ-CD1 3.48Å; R217-I219 PolarHBondContact O-N 3.12Å; I219-I221 HydrophobicContact CG2-CD1 4.42Å; I219-I221 HydrophobicContact CG2-CG1 3.92Å
220V98.4Very high97.4Very high11 Ų1150 Ų507%0.06725%0.251CS..EExtended strand (participates in β ladder)trans-114.3123.4173.6173.80000109.2A134 R135 V136 N222 L255 I263A134-V220 PolarHBondContact O-N 3.25Å; R135-V220 WeakPolarHBondContact CA-O 3.45Å; V136-V220 PolarHBondContact N-O 2.84Å; V220-N222 WeakPolarHBondContact CG1-ND2 3.23Å; V220-L255 HydrophobicContact CG1-CD1 4.29Å; V220-I263 HydrophobicContact CG1-CG1 4.19Å; V220-I263 HydrophobicContact CG2-CG1 4.23Å
221I98.3Very high97.2Very high2 Ų246 Ų461%0.0123%0.234CC..EExtended strand (participates in β ladder)trans-114.7134174.9-52.1-154.9000108.8M123 V136 F208 L212 I219 N264M123-I221 HydrophobicContact CE-CD1 4.4Å; V136-I221 HydrophobicContact CB-CB 4.28Å; V136-I221 HydrophobicContact CB-CD1 3.96Å; V136-I221 HydrophobicContact CB-CG1 3.8Å; V136-I221 HydrophobicContact CB-CG2 4.16Å; V136-I221 HydrophobicContact CG1-CD1 4.3Å; V136-I221 HydrophobicContact CG1-CG2 4.32Å; V136-I221 HydrophobicContact CG2-CD1 4.02Å; V136-I221 HydrophobicContact CG2-CG1 4.03Å; V136-I221 WeakPolarHBondContact O-CA 3.48Å; F208-I221 HydrophobicContact CB-CD1 4.05Å; L212-I221 HydrophobicContact CD1-CD1 3.49Å; L212-I221 VanDerWaalsContact CD1-CD1 3.49Å; L212-I221 HydrophobicContact CD1-CG1 4.2Å; I219-I221 HydrophobicContact CG2-CD1 4.42Å; I219-I221 HydrophobicContact CG2-CG1 3.92Å; I221-N264 WeakPolarHBondContact O-CA 3.41Å; I221-N264 PolarHBondContact O-N 3.42Å
222N98.8Very high96.8Very high2 Ų243.6 Ų43.61%0.01122%0.224CC..EExtended strand (participates in β ladder)trans-138.4152.5169.5-70.4-68.5000110.6V136 T138 V220 L252 P262 N264 Q265V136-N222 PolarHBondContact O-N 3.28Å; T138-N222 PolarHBondContact N-O 2.98Å; V220-N222 WeakPolarHBondContact CG1-ND2 3.23Å; N222-L252 HydrophobicContact CB-CD1 3.89Å; N222-L252 HydrophobicContact CB-CD2 3.95Å; N222-L252 HydrophobicContact CB-CG 4.43Å; N222-P262 PolarHBondContact ND2-O 3.42Å; N222-N264 PolarHBondContact OD1-N 3.16Å; N222-N264 VanDerWaalsContact OD1-N 3.16Å; N222-Q265 PolarHBondContact OD1-N 2.88Å
223S98.7Very high96.5Very high0 Ų046.4 Ų46.40%024%0.237CC..EExtended strand (participates in β ladder)trans-103.6153.4167.1610000109.8T138 Q265 F266 V267T138-S223 CarbonylContact O-C 3.27Å; T138-S223 VanDerWaalsContact O-CA 3.26Å; T138-S223 WeakPolarHBondContact O-CA 3.07Å; S223-Q265 PolarHBondContact N-O 3.07Å; S223-Q265 PolarHBondContact OG-O 2.87Å; S223-F266 CarbonylContact O-C 3.58Å; S223-F266 WeakPolarHBondContact O-CA 3.43Å; S223-F266 WeakPolarHBondContact OG-CA 3.39Å; S223-F266 WeakPolarHBondContact OG-CD2 3.48Å; S223-V267 PolarHBondContact O-N 3.42Å
224C98.8Very high96.2Very high0 Ų041.8 Ų41.80%022%0.22CC..EExtended strand (participates in β ladder)trans-147.3167179.563.40000115T138 S140 T248 L252 V267T138-C224 PolarHBondContact O-N 2.7Å; S140-C224 CarbonylContact C-O 3.37Å; S140-C224 VanDerWaalsContact CA-O 3.22Å; S140-C224 WeakPolarHBondContact CA-O 3.44Å; S140-C224 WeakPolarHBondContact CB-O 3.45Å; S140-C224 PolarHBondContact N-O 3.47Å; C224-T248 HydrophobicContact CB-CG2 3.68Å; C224-L252 HydrophobicContact CB-CD1 3.58Å; C224-V267 CarbonylContact C-O 3.58Å; C224-V267 WeakPolarHBondContact CA-O 3.25Å; C224-V267 HydrophobicContact CB-CB 4.39Å; C224-V267 VanDerWaalsContact CB-O 3.23Å; C224-V267 WeakPolarHBondContact CB-O 3.36Å
225C98.5Very high96Very high1 Ų138 Ų381%0.00720%0.204CC..EExtended strand (participates in β ladder)trans-109.3130.9163.8-176.90000109.5S142 G227 F266 V267 Y268S142-C225 PolarHBondContact N-SG 3.48Å; C225-G227 PolarHBondContact O-N 3.32Å; C225-G227 PolarHBondContact SG-N 2.82Å; C225-F266 HydrophobicContact CB-CE1 4.43Å; C225-F266 HydrophobicContact CB-CZ 3.75Å; C225-V267 PolarHBondContact N-O 2.96Å; C225-Y268 HydrophobicContact CB-CD2 3.65Å; C225-Y268 HydrophobicContact CB-CE2 4.38Å; C225-Y268 HydrophobicContact CB-CG 4.18Å; C225-Y268 WeakPolarHBondContact O-CD2 3.49Å
226P98Very high95.8Very high12 Ų1242.1 Ų42.18%0.07822%0.222CC..  trans-78-10.2172.332.2-34000112.6I13 V139 C229 G245I13-P226 HydrophobicContact CD1-CB 3.74Å; I13-P226 HydrophobicContact CD1-CG 3.62Å; I13-P226 HydrophobicContact CG1-CB 4.41Å; I13-P226 HydrophobicContact CG2-CB 4.28Å; V139-P226 HydrophobicContact CG1-CG 4.01Å; P226-C229 PolarHBondContact O-SG 3.28Å; P226-G245 WeakPolarHBondContact CB-O 3.36Å; P226-G245 WeakPolarHBondContact O-CA 3.24Å
227G96.9Very high95.6Very high15 Ų1543.9 Ų43.916%0.15522%0.218CC..  trans88.5-172.2-16900000112.3C225 C229C225-G227 PolarHBondContact O-N 3.32Å; C225-G227 PolarHBondContact SG-N 2.82Å; G227-C229 PolarHBondContact O-N 3.09Å
228Y95.6Very high95.4Very high109 Ų10941.8 Ų41.843%0.42721%0.214SC..SBendtrans-90.489.7-178.1-173.6-138.4000110.6T234 K237 G238 T239 K240Y228-T234 HydrophobicContact CD2-CG2 3.8Å; Y228-T234 HydrophobicContact CE2-CG2 3.47Å; Y228-T234 VanDerWaalsContact CE2-CG2 3.47Å; Y228-K237 WeakPolarHBondContact CE1-O 3.37Å; Y228-K237 WeakPolarHBondContact OH-CB 3.25Å; Y228-K237 PolarHBondContact OH-O 2.64Å; Y228-G238 CarbonylContact O-C 3.57Å; Y228-G238 VanDerWaalsContact O-CA 3.25Å; Y228-G238 WeakPolarHBondContact O-CA 3.31Å; Y228-T239 HydrophobicContact CD1-CG2 4.33Å; Y228-T239 PolarHBondContact O-N 2.88Å; Y228-K240 PolarHBondContact O-N 2.74Å
229C95.3Very high95.3Very high3 Ų342.9 Ų42.92%0.0223%0.228CC..BIsolated β-bridgetrans-95.6139.9-170.4-49.40000113.5I13 P226 G227 T231 T234 K240 G245I13-C229 HydrophobicContact CD1-CB 4Å; I13-C229 HydrophobicContact CG1-CB 4.12Å; P226-C229 PolarHBondContact O-SG 3.28Å; G227-C229 PolarHBondContact O-N 3.09Å; C229-T231 HydrophobicContact CB-CG2 4.14Å; C229-T231 PolarHBondContact O-N 3.42Å; C229-T231 PolarHBondContact O-OG1 3.23Å; C229-T234 WeakPolarHBondContact O-CB 3.3Å; C229-T234 WeakPolarHBondContact O-CG2 3.44Å; C229-T234 PolarHBondContact O-OG1 3.27Å; C229-K240 CarbonylContact C-O 3.57Å; C229-K240 VanDerWaalsContact CA-O 3.22Å; C229-K240 WeakPolarHBondContact CA-O 3.29Å; C229-G245 WeakPolarHBondContact SG-CA 3.49Å
230D94.4Very high95.2Very high70 Ų7043.8 Ų43.837%0.37423%0.231SC..  trans-64.499.6169.8-179.8-2.8000108.8H236 K240D230-H236 WeakPolarHBondContact OD1-CA 3.29Å; D230-H236 VanDerWaalsContact OD1-CB 3.22Å; D230-H236 WeakPolarHBondContact OD1-CB 3.46Å; D230-H236 IonicContact OD1-CE1 3.91Å; D230-H236 IonicContact OD1-CG 3.4Å; D230-H236 IonicContact OD1-ND1 2.76Å; D230-H236 PolarHBondContact OD1-ND1 3.18Å; D230-K240 WeakPolarHBondContact CB-O 3.29Å; D230-K240 PolarHBondContact N-O 2.84Å
231T93.6Very high95.2Very high18 Ų1846.7 Ų46.711%0.1125%0.249CC..SBendtrans-149.4167.7-179.760.50000109.1I13 C229 M233 T234 S235 H236I13-T231 HydrophobicContact CG1-CG2 4.33Å; C229-T231 HydrophobicContact CB-CG2 4.14Å; C229-T231 PolarHBondContact O-N 3.42Å; C229-T231 PolarHBondContact O-OG1 3.23Å; T231-M233 PolarHBondContact O-N 3.38Å; T231-M233 VanDerWaalsContact O-N 3.11Å; T231-M233 PolarHBondContact OG1-N 3.12Å; T231-T234 PolarHBondContact N-OG1 2.8Å; T231-T234 PolarHBondContact O-N 2.93Å; T231-T234 VanDerWaalsContact O-N 3.07Å; T231-T234 PolarHBondContact O-OG1 3.35Å; T231-T234 VanDerWaalsContact O-OG1 3.11Å; T231-S235 PolarHBondContact O-N 3.47Å; T231-H236 PolarHBondContact O-N 2.99Å; T231-H236 VanDerWaalsContact O-N 3.11Å
232D90.4Very high95.1Very high75 Ų7547.6 Ų47.640%0.40126%0.257SS..THydrogen-bonded Turntrans-51.8-34.7169.7-62.910000112.1K11 K97 T234 S235 H236K11-D232 WeakPolarHBondContact CE-OD2 3.13Å; K11-D232 IonicContact NZ-OD2 2.78Å; K11-D232 PolarHBondContact NZ-OD2 3.04Å; K97-D232 PolarHBondContact NZ-O 3.22Å; D232-T234 VanDerWaalsContact C-N 3.34Å; D232-T234 PolarHBondContact O-N 3.31Å; D232-S235 PolarHBondContact O-N 3.22Å; D232-H236 IonicContact OD1-CE1 3.05Å; D232-H236 IonicContact OD1-NE2 2.56Å
233M90.3Very high95Very high74 Ų7450.7 Ų50.737%0.36527%0.273SS..THydrogen-bonded Turntrans-61.7-43.3-179.5-174.1177.3-7000111.2G93 A95 K97 Y194 T231 S235G93-M233 WeakPolarHBondContact O-CE 3.38Å; A95-M233 HydrophobicContact CB-CG 3.91Å; A95-M233 HydrophobicContact CB-SD 4.14Å; K97-M233 PolarHBondContact NZ-O 2.82Å; Y194-M233 HydrophobicContact CE2-SD 4.36Å; T231-M233 PolarHBondContact O-N 3.38Å; T231-M233 VanDerWaalsContact O-N 3.11Å; T231-M233 PolarHBondContact OG1-N 3.12Å; M233-S235 VanDerWaalsContact C-N 3.29Å; M233-S235 PolarHBondContact O-N 3.46Å
234T90.1Very high95Very high28 Ų2855.3 Ų55.317%0.17230%0.295CS..THydrogen-bonded Turntrans-87.96.1-176.961.60000113.4Y228 C229 T231 D232 H236 K237Y228-T234 HydrophobicContact CD2-CG2 3.8Å; Y228-T234 HydrophobicContact CE2-CG2 3.47Å; Y228-T234 VanDerWaalsContact CE2-CG2 3.47Å; C229-T234 WeakPolarHBondContact O-CB 3.3Å; C229-T234 WeakPolarHBondContact O-CG2 3.44Å; C229-T234 PolarHBondContact O-OG1 3.27Å; T231-T234 PolarHBondContact N-OG1 2.8Å; T231-T234 PolarHBondContact O-N 2.93Å; T231-T234 VanDerWaalsContact O-N 3.07Å; T231-T234 PolarHBondContact O-OG1 3.35Å; T231-T234 VanDerWaalsContact O-OG1 3.11Å; D232-T234 VanDerWaalsContact C-N 3.34Å; D232-T234 PolarHBondContact O-N 3.31Å; T234-H236 PolarHBondContact O-N 2.94Å; T234-K237 WeakPolarHBondContact O-CB 3.26Å; T234-K237 PolarHBondContact O-N 3.46Å
235S92.5Very high95Very high57 Ų5755.3 Ų55.340%0.39930%0.295SS..THydrogen-bonded Turntrans54.737.8-171.8-57.70000112.3K97 T231 D232 M233 K237K97-S235 WeakPolarHBondContact CD-OG 3.43Å; K97-S235 WeakPolarHBondContact CE-OG 3.2Å; K97-S235 PolarHBondContact NZ-OG 3.42Å; T231-S235 PolarHBondContact O-N 3.47Å; D232-S235 PolarHBondContact O-N 3.22Å; M233-S235 VanDerWaalsContact C-N 3.29Å; M233-S235 PolarHBondContact O-N 3.46Å; S235-K237 PolarHBondContact O-N 2.68Å
236H92.8Very high95Very high119 Ų11955.3 Ų55.355%0.55130%0.295SS*.THydrogen-bonded Turntrans57.430.2-178.4-55.3-74.1000115.3D230 T231 D232 T234D230-H236 WeakPolarHBondContact OD1-CA 3.29Å; D230-H236 VanDerWaalsContact OD1-CB 3.22Å; D230-H236 WeakPolarHBondContact OD1-CB 3.46Å; D230-H236 IonicContact OD1-CE1 3.91Å; D230-H236 IonicContact OD1-CG 3.4Å; D230-H236 IonicContact OD1-ND1 2.76Å; D230-H236 PolarHBondContact OD1-ND1 3.18Å; T231-H236 PolarHBondContact O-N 2.99Å; T231-H236 VanDerWaalsContact O-N 3.11Å; D232-H236 IonicContact OD1-CE1 3.05Å; D232-H236 IonicContact OD1-NE2 2.56Å; T234-H236 PolarHBondContact O-N 2.94Å
237K92.8Very high95Very high153 Ų15356.9 Ų56.967%0.66530%0.302SS*.  trans-101.5-0.2177.5-65.8-177.2178.4-1740113.6Y228 T234 S235Y228-K237 WeakPolarHBondContact CE1-O 3.37Å; Y228-K237 WeakPolarHBondContact OH-CB 3.25Å; Y228-K237 PolarHBondContact OH-O 2.64Å; T234-K237 WeakPolarHBondContact O-CB 3.26Å; T234-K237 PolarHBondContact O-N 3.46Å; S235-K237 PolarHBondContact O-N 2.68Å
238G92.8Very high95.1Very high14 Ų1456.3 Ų56.314%0.14430%0.296CS..  trans-65.7148.7179.900000112.8Y228Y228-G238 CarbonylContact O-C 3.57Å; Y228-G238 VanDerWaalsContact O-CA 3.25Å; Y228-G238 WeakPolarHBondContact O-CA 3.31Å
239T96.2Very high95.2Very high124 Ų12451.1 Ų51.176%0.76128%0.276SS*.SBendtrans-86.4-17.3177.655.30000113.1Y228Y228-T239 HydrophobicContact CD1-CG2 4.33Å; Y228-T239 PolarHBondContact O-N 2.88Å
240K96.8Very high95.4Very high33 Ų3352.3 Ų52.314%0.14328%0.281CS..BIsolated β-bridgetrans-104.6148176.8-69.1-169.1170.4-158.90110.9Y228 C229 D230 E244 E269Y228-K240 PolarHBondContact O-N 2.74Å; C229-K240 CarbonylContact C-O 3.57Å; C229-K240 VanDerWaalsContact CA-O 3.22Å; C229-K240 WeakPolarHBondContact CA-O 3.29Å; D230-K240 WeakPolarHBondContact CB-O 3.29Å; D230-K240 PolarHBondContact N-O 2.84Å; K240-E244 WeakPolarHBondContact CA-OE2 3.33Å; K240-E244 HydrophobicContact CB-CB 4.1Å; K240-E244 HydrophobicContact CD-CB 4.29Å; K240-E244 HydrophobicContact CG-CB 4.41Å; K240-E269 WeakPolarHBondContact CE-OE1 3.31Å; K240-E269 IonicContact NZ-OE1 2.64Å; K240-E269 PolarHBondContact NZ-OE1 3.15Å; K240-E269 IonicContact NZ-OE2 3.88Å; K240-E269 PolarHBondContact NZ-OE2 3.16Å
241T97.4Very high95.6Very high72 Ų7251.6 Ų51.644%0.44227%0.273SS..  trans-67.3165163.463.40000111.2D243 E244 G245T241-D243 PolarHBondContact O-N 3.46Å; T241-E244 PolarHBondContact N-OE2 3.37Å; T241-E244 PolarHBondContact O-N 2.89Å; T241-E244 VanDerWaalsContact OG1-CG 3.31Å; T241-E244 WeakPolarHBondContact OG1-CG 3.47Å; T241-E244 PolarHBondContact OG1-N 3.34Å; T241-E244 VanDerWaalsContact OG1-N 3.13Å; T241-E244 PolarHBondContact OG1-OE2 3.01Å; T241-G245 PolarHBondContact O-N 2.9Å
242A96.5Very high95.9Very high20 Ų2050.8 Ų50.817%0.16527%0.268CS..Hα-helixtrans-60.8-33.4171.500000112.3G245 A246A242-G245 PolarHBondContact O-N 3.03Å; A242-A246 PolarHBondContact O-N 3.42Å
243D96.9Very high96.3Very high68 Ų6847.3 Ų47.336%0.36425%0.25SC..Hα-helixtrans-68-46.6178.6-169.866.5000112.4K20 T241 G245 A246K20-D243 VanDerWaalsContact CE-O 3.23Å; K20-D243 WeakPolarHBondContact CE-O 3.39Å; K20-D243 WeakPolarHBondContact CE-OD1 3.4Å; K20-D243 IonicContact NZ-OD1 2.65Å; K20-D243 PolarHBondContact NZ-OD1 2.92Å; K20-D243 IonicContact NZ-OD2 3.25Å; K20-D243 PolarHBondContact NZ-OD2 3.29Å; T241-D243 PolarHBondContact O-N 3.46Å; D243-G245 PolarHBondContact O-N 2.84Å; D243-A246 WeakPolarHBondContact O-CB 3.45Å; D243-A246 PolarHBondContact O-N 3.2Å; D243-A246 VanDerWaalsContact O-N 3.09Å
244E98.1Very high96.7Very high97 Ų9745 Ų4545%0.45324%0.24SC..Hα-helixtrans-61.5-31.8172.2-70.7167.9130.100111.8K240 T241 D247K240-E244 WeakPolarHBondContact CA-OE2 3.33Å; K240-E244 HydrophobicContact CB-CB 4.1Å; K240-E244 HydrophobicContact CD-CB 4.29Å; K240-E244 HydrophobicContact CG-CB 4.41Å; T241-E244 PolarHBondContact N-OE2 3.37Å; T241-E244 PolarHBondContact O-N 2.89Å; T241-E244 VanDerWaalsContact OG1-CG 3.31Å; T241-E244 WeakPolarHBondContact OG1-CG 3.47Å; T241-E244 PolarHBondContact OG1-N 3.34Å; T241-E244 VanDerWaalsContact OG1-N 3.13Å; T241-E244 PolarHBondContact OG1-OE2 3.01Å; E244-D247 WeakPolarHBondContact O-CB 3.39Å
245G98Very high97Very high0 Ų044.1 Ų44.10%023%0.234CC..Hα-helixtrans-70-30.3174.500000114.6P226 C229 T241 A242 D243 D247 P249P226-G245 WeakPolarHBondContact CB-O 3.36Å; P226-G245 WeakPolarHBondContact O-CA 3.24Å; C229-G245 WeakPolarHBondContact SG-CA 3.49Å; T241-G245 PolarHBondContact O-N 2.9Å; A242-G245 PolarHBondContact O-N 3.03Å; D243-G245 PolarHBondContact O-N 2.84Å; G245-D247 VanDerWaalsContact C-N 3.25Å; G245-D247 PolarHBondContact O-N 2.76Å; G245-P249 VanDerWaalsContact O-CD 3.32Å; G245-P249 WeakPolarHBondContact O-CD 3.2Å
246A98.6Very high97.3Very high0 Ų045.8 Ų45.80%024%0.243CC..Hα-helixtrans-75.4-14.517900000113I17 K20 A242 D243 T248 P249 F250I17-A246 HydrophobicContact CG1-CB 3.65Å; K20-A246 HydrophobicContact CD-CB 4.08Å; A242-A246 PolarHBondContact O-N 3.42Å; D243-A246 WeakPolarHBondContact O-CB 3.45Å; D243-A246 PolarHBondContact O-N 3.2Å; D243-A246 VanDerWaalsContact O-N 3.09Å; A246-T248 PolarHBondContact O-N 2.69Å; A246-P249 WeakPolarHBondContact O-CD 3.44Å; A246-F250 WeakPolarHBondContact O-CB 3.22Å; A246-F250 PolarHBondContact O-N 3.13Å
247D98.7Very high97.5Very high45 Ų4545.8 Ų45.824%0.24125%0.246CC..Hα-helixtrans-55.5-54.1-175.5-17973.6000113.9E244 G245 F250 Y251 R270E244-D247 WeakPolarHBondContact O-CB 3.39Å; G245-D247 VanDerWaalsContact C-N 3.25Å; G245-D247 PolarHBondContact O-N 2.76Å; D247-F250 PolarHBondContact O-N 3.37Å; D247-Y251 WeakPolarHBondContact O-CB 3.48Å; D247-Y251 PolarHBondContact O-N 2.94Å; D247-R270 IonicContact OD1-CZ 3.35Å; D247-R270 IonicContact OD1-NE 3.31Å; D247-R270 PolarHBondContact OD1-NE 3.22Å; D247-R270 IonicContact OD1-NH2 2.94Å; D247-R270 PolarHBondContact OD1-NH2 3.41Å; D247-R270 WeakPolarHBondContact OD2-CG 3.4Å; D247-R270 IonicContact OD2-CZ 3.65Å; D247-R270 IonicContact OD2-NE 2.78Å; D247-R270 PolarHBondContact OD2-NE 2.97Å; D247-R270 IonicContact OD2-NH2 3.39Å
248T98.8Very high97.6Very high4 Ų440.6 Ų40.63%0.02524%0.236CC..Hα-helixtrans-68-46.8-178.8-68.50000112.3C224 A246 F250 Y251 L252 V267 E269 R270C224-T248 HydrophobicContact CB-CG2 3.68Å; A246-T248 PolarHBondContact O-N 2.69Å; T248-F250 VanDerWaalsContact C-N 3.32Å; T248-F250 PolarHBondContact O-N 3Å; T248-Y251 WeakPolarHBondContact O-CB 3.4Å; T248-Y251 PolarHBondContact O-N 3.4Å; T248-L252 HydrophobicContact CG2-CD1 4.29Å; T248-L252 WeakPolarHBondContact O-CG 3.38Å; T248-L252 PolarHBondContact O-N 3.22Å; T248-L252 VanDerWaalsContact O-N 3.08Å; T248-V267 HydrophobicContact CG2-CB 4.32Å; T248-V267 HydrophobicContact CG2-CG1 3.88Å; T248-E269 PolarHBondContact OG1-N 3.02Å; T248-R270 PolarHBondContact OG1-N 3.43Å; T248-R270 VanDerWaalsContact OG1-N 3.07Å
249P98.8Very high97.7Very high0 Ų041.1 Ų41.10%024%0.238CC..Hα-helixtrans-56.9-42.4173.3-25.632.5000113.7I17 V137 V139 G245 A246 L252 A253I17-P249 HydrophobicContact CD1-CB 3.49Å; I17-P249 VanDerWaalsContact CD1-CB 3.49Å; I17-P249 HydrophobicContact CD1-CG 3.92Å; I17-P249 HydrophobicContact CG1-CB 3.97Å; I17-P249 HydrophobicContact CG1-CG 4.5Å; V137-P249 HydrophobicContact CG1-CB 4.13Å; V139-P249 HydrophobicContact CG2-CB 4.43Å; V139-P249 HydrophobicContact CG2-CG 4.29Å; G245-P249 VanDerWaalsContact O-CD 3.32Å; G245-P249 WeakPolarHBondContact O-CD 3.2Å; A246-P249 WeakPolarHBondContact O-CD 3.44Å; P249-L252 PolarHBondContact O-N 2.91Å; P249-A253 WeakPolarHBondContact O-CB 3.4Å; P249-A253 PolarHBondContact O-N 2.66Å
250F98.8Very high97.6Very high27 Ų2744 Ų4412%0.11824%0.24CC..Hα-helixtrans-62.2-49.2176170.6-103000111.4K20 L21 F24 A246 D247 T248 L252 A253 T254K20-F250 HydrophobicContact CB-CB 4.39Å; K20-F250 HydrophobicContact CB-CD2 3.6Å; K20-F250 HydrophobicContact CB-CE2 3.97Å; K20-F250 HydrophobicContact CB-CG 3.94Å; K20-F250 HydrophobicContact CD-CB 4.1Å; K20-F250 HydrophobicContact CD-CD1 4.37Å; K20-F250 HydrophobicContact CD-CG 4.12Å; K20-F250 WeakPolarHBondContact O-CE2 3.17Å; L21-F250 HydrophobicContact CD2-CD2 4.03Å; L21-F250 HydrophobicContact CD2-CE2 4.23Å; L21-F250 HydrophobicContact CG-CD2 4.33Å; F24-F250 HydrophobicContact CB-CE2 3.76Å; F24-F250 HydrophobicContact CB-CZ 3.75Å; F24-F250 HydrophobicContact CD1-CZ 4.36Å; F24-F250 AromaticContact CD2-CZ 3.78Å; F24-F250 HydrophobicContact CD2-CZ 3.78Å; F24-F250 HydrophobicContact CE2-CZ 4.48Å; F24-F250 HydrophobicContact CG-CE2 4.06Å; F24-F250 AromaticContact CG-CZ 3.71Å; F24-F250 HydrophobicContact CG-CZ 3.71Å; A246-F250 WeakPolarHBondContact O-CB 3.22Å; A246-F250 PolarHBondContact O-N 3.13Å; D247-F250 PolarHBondContact O-N 3.37Å; T248-F250 VanDerWaalsContact C-N 3.32Å; T248-F250 PolarHBondContact O-N 3Å; F250-L252 VanDerWaalsContact C-N 3.25Å; F250-L252 PolarHBondContact O-N 3.29Å; F250-A253 WeakPolarHBondContact O-CB 3.24Å; F250-A253 PolarHBondContact O-N 3.49Å; F250-T254 HydrophobicContact CD2-CG2 3.89Å; F250-T254 HydrophobicContact CE2-CG2 3.49Å; F250-T254 VanDerWaalsContact CE2-CG2 3.49Å; F250-T254 HydrophobicContact CZ-CG2 3.85Å; F250-T254 PolarHBondContact O-N 3.03Å; F250-T254 PolarHBondContact O-OG1 3.37Å
251Y98.8Very high97.5Very high55 Ų5548.4 Ų48.422%0.21626%0.261CS..Hα-helixtrans-51.4-44.1175.6161.4-107.5000112.6D247 T248 L255 P262 R270D247-Y251 WeakPolarHBondContact O-CB 3.48Å; D247-Y251 PolarHBondContact O-N 2.94Å; T248-Y251 WeakPolarHBondContact O-CB 3.4Å; T248-Y251 PolarHBondContact O-N 3.4Å; Y251-L255 HydrophobicContact CD2-CD2 4.46Å; Y251-L255 HydrophobicContact CE1-CD2 4.3Å; Y251-L255 HydrophobicContact CE2-CD2 3.81Å; Y251-L255 PolarHBondContact O-N 3.13Å; Y251-P262 HydrophobicContact CE1-CG 4.15Å; Y251-P262 VanDerWaalsContact OH-CD 3.31Å; Y251-P262 WeakPolarHBondContact OH-CD 3.21Å; Y251-R270 HydrophobicContact CD1-CB 3.78Å; Y251-R270 HydrophobicContact CD1-CG 3.73Å; Y251-R270 HydrophobicContact CD2-CG 4.33Å; Y251-R270 HydrophobicContact CE1-CB 3.91Å; Y251-R270 HydrophobicContact CE1-CG 4.36Å; Y251-R270 HydrophobicContact CG-CB 4.15Å; Y251-R270 HydrophobicContact CG-CG 3.71Å
252L98.9Very high97.5Very high2 Ų245.1 Ų45.11%0.0124%0.241CC..Hα-helixtrans-70.1-38.5178.3-65.6175.4000112.8V137 N222 C224 T248 P249 F250 T254 L255 P262 V267V137-L252 HydrophobicContact CG1-CB 4.23Å; V137-L252 HydrophobicContact CG1-CD1 4.1Å; V137-L252 HydrophobicContact CG2-CB 3.61Å; N222-L252 HydrophobicContact CB-CD1 3.89Å; N222-L252 HydrophobicContact CB-CD2 3.95Å; N222-L252 HydrophobicContact CB-CG 4.43Å; C224-L252 HydrophobicContact CB-CD1 3.58Å; T248-L252 HydrophobicContact CG2-CD1 4.29Å; T248-L252 WeakPolarHBondContact O-CG 3.38Å; T248-L252 PolarHBondContact O-N 3.22Å; T248-L252 VanDerWaalsContact O-N 3.08Å; P249-L252 PolarHBondContact O-N 2.91Å; F250-L252 VanDerWaalsContact C-N 3.25Å; F250-L252 PolarHBondContact O-N 3.29Å; L252-T254 PolarHBondContact O-N 3.27Å; L252-L255 HydrophobicContact CD2-CD1 4.15Å; L252-P262 HydrophobicContact CD2-CB 4.45Å; L252-P262 HydrophobicContact CD2-CG 3.33Å; L252-V267 HydrophobicContact CD1-CB 4.19Å; L252-V267 HydrophobicContact CD1-CG2 4.45Å; L252-V267 HydrophobicContact CD2-CB 4.34Å; L252-V267 HydrophobicContact CD2-CG1 4.32Å; L252-V267 HydrophobicContact CD2-CG2 4.04Å
253A98.8Very high97.6Very high1 Ų147.7 Ų47.71%0.00825%0.251CS..Hα-helixtrans-66.5-28.1178.500000112.3L21 I87 V89 R135 V137 P249 F250L21-A253 HydrophobicContact CD2-CB 4.2Å; I87-A253 HydrophobicContact CD1-CB 4.49Å; I87-A253 VanDerWaalsContact CD1-O 3.3Å; I87-A253 WeakPolarHBondContact CD1-O 3.38Å; I87-A253 HydrophobicContact CG2-CB 3.81Å; V89-A253 HydrophobicContact CG2-CB 4.28Å; R135-A253 WeakPolarHBondContact CB-O 3.36Å; R135-A253 WeakPolarHBondContact CG-O 3.4Å; V137-A253 HydrophobicContact CG2-CB 3.99Å; P249-A253 WeakPolarHBondContact O-CB 3.4Å; P249-A253 PolarHBondContact O-N 2.66Å; F250-A253 WeakPolarHBondContact O-CB 3.24Å; F250-A253 PolarHBondContact O-N 3.49Å
254T98.5Very high97.6Very high25 Ų2545.9 Ų45.915%0.15324%0.241CC..THydrogen-bonded Turntrans-108.417.3-176.966.80000113.7L21 F24 Y25 F250 L252L21-T254 HydrophobicContact CD2-CG2 4.04Å; F24-T254 HydrophobicContact CD1-CG2 4.07Å; F24-T254 HydrophobicContact CE1-CG2 4.22Å; Y25-T254 HydrophobicContact CE2-CG2 3.79Å; F250-T254 HydrophobicContact CD2-CG2 3.89Å; F250-T254 HydrophobicContact CE2-CG2 3.49Å; F250-T254 VanDerWaalsContact CE2-CG2 3.49Å; F250-T254 HydrophobicContact CZ-CG2 3.85Å; F250-T254 PolarHBondContact O-N 3.03Å; F250-T254 PolarHBondContact O-OG1 3.37Å; L252-T254 PolarHBondContact O-N 3.27Å
255L98.3Very high97.6Very high10 Ų1044.7 Ų44.75%0.05224%0.236CC..PPolyproline II helixtrans-55.1126.3177.5-78.9172.2000110.8R135 V220 Y251 L252 P262R135-L255 PolarHBondContact NE-O 3.2Å; R135-L255 VanDerWaalsContact NE-O 3.09Å; V220-L255 HydrophobicContact CG1-CD1 4.29Å; Y251-L255 HydrophobicContact CD2-CD2 4.46Å; Y251-L255 HydrophobicContact CE1-CD2 4.3Å; Y251-L255 HydrophobicContact CE2-CD2 3.81Å; Y251-L255 PolarHBondContact O-N 3.13Å; L252-L255 HydrophobicContact CD2-CD1 4.15Å; L255-P262 HydrophobicContact CD1-CG 4.04Å
256P97.3Very high97.6Very high92 Ų9244.8 Ų44.860%0.59724%0.236SC*.PPolyproline II helixtrans-52.5151.2178.6-27.734.4000113.1R135 G258 S259R135-P256 PolarHBondContact NH2-O 2.95Å; P256-G258 PolarHBondContact O-N 2.78Å; P256-S259 WeakPolarHBondContact CD-OG 3.29Å; P256-S259 WeakPolarHBondContact O-CB 3.49Å; P256-S259 PolarHBondContact O-N 2.91Å; P256-S259 VanDerWaalsContact O-N 3.16Å; P256-S259 PolarHBondContact O-OG 3.48Å
257I97Very high97.6Very high119 Ų11944.9 Ų44.961%0.6124%0.236SC*.THydrogen-bonded Turntrans-60136.3170.1-62175000108.4H133 S259H133-I257 HydrophobicContact CB-CD1 4.17Å; H133-I257 HydrophobicContact CB-CG1 3.99Å; I257-S259 VanDerWaalsContact C-N 3.31Å; I257-S259 PolarHBondContact O-N 3.18Å
258G95Very high97.6Very high44 Ų4446.4 Ų46.445%0.45424%0.24SC..THydrogen-bonded Turntrans81.41.5-176.700000115.5P256 K260P256-G258 PolarHBondContact O-N 2.78Å; G258-K260 PolarHBondContact O-N 3.19Å
259S94.8Very high97.6Very high26 Ų2649.7 Ų49.718%0.18226%0.255CS..  trans-50135.3171.1-64.90000110.7P256 I257P256-S259 WeakPolarHBondContact CD-OG 3.29Å; P256-S259 WeakPolarHBondContact O-CB 3.49Å; P256-S259 PolarHBondContact O-N 2.91Å; P256-S259 VanDerWaalsContact O-N 3.16Å; P256-S259 PolarHBondContact O-OG 3.48Å; I257-S259 VanDerWaalsContact C-N 3.31Å; I257-S259 PolarHBondContact O-N 3.18Å
260K94Very high97.5Very high184 Ų18454.9 Ų54.980%0.827%0.274SS*.  trans-98-21.9180-59-57.7-179.3-176.10113.3G258G258-K260 PolarHBondContact O-N 3.19Å
261E95.7Very high97.5Very high126 Ų12662.7 Ų62.759%0.58930%0.303SS*.SBendtrans-151.1144.4176.6-169.8177.3-154.400109.1V272E261-V272 HydrophobicContact CG-CG2 3.92Å; E261-V272 VanDerWaalsContact OE1-CG2 3.3Å; E261-V272 WeakPolarHBondContact OE1-CG2 3.46Å
262P97.8Very high97.4Very high3 Ų362.6 Ų62.62%0.01931%0.308CS..SBendcis-78.6139.2-7.831.6-34000112.8N222 Y251 L252 L255 Q265 V267 V272N222-P262 PolarHBondContact ND2-O 3.42Å; Y251-P262 HydrophobicContact CE1-CG 4.15Å; Y251-P262 VanDerWaalsContact OH-CD 3.31Å; Y251-P262 WeakPolarHBondContact OH-CD 3.21Å; L252-P262 HydrophobicContact CD2-CB 4.45Å; L252-P262 HydrophobicContact CD2-CG 3.33Å; L255-P262 HydrophobicContact CD1-CG 4.04Å; P262-Q265 HydrophobicContact CB-CB 3.98Å; P262-Q265 HydrophobicContact CB-CG 4.11Å; P262-V267 HydrophobicContact CB-CG2 3.71Å; P262-V267 HydrophobicContact CG-CG2 3.87Å; P262-V272 HydrophobicContact CB-CG2 3.86Å
263I97.5Very high97.3Very high73 Ų7364.6 Ų64.637%0.37432%0.32SS..SBendtrans-132.8124.1169.3-58.8173.4000108V220 Q265V220-I263 HydrophobicContact CG1-CG1 4.19Å; V220-I263 HydrophobicContact CG2-CG1 4.23Å; I263-Q265 VanDerWaalsContact C-N 3.27Å; I263-Q265 WeakPolarHBondContact O-CG 3.32Å; I263-Q265 PolarHBondContact O-N 3.15Å; I263-Q265 PolarHBondContact O-NE2 3.42Å; I263-Q265 VanDerWaalsContact O-NE2 3.13Å
264N97.9Very high97.2Very high31 Ų3171.7 Ų71.717%0.16635%0.351CS..SBendtrans57.238.1-178.7-158.124.6000113.7S205 F206 G209 E210 I221 N222S205-N264 PolarHBondContact O-OD1 2.94Å; F206-N264 WeakPolarHBondContact CA-OD1 3.49Å; F206-N264 PolarHBondContact O-ND2 2.87Å; F206-N264 PolarHBondContact O-OD1 2.96Å; G209-N264 WeakPolarHBondContact CA-OD1 3.31Å; E210-N264 PolarHBondContact N-ND2 3.16Å; I221-N264 WeakPolarHBondContact O-CA 3.41Å; I221-N264 PolarHBondContact O-N 3.42Å; N222-N264 PolarHBondContact OD1-N 3.16Å; N222-N264 VanDerWaalsContact OD1-N 3.16Å
265Q98.1Very high97Very high71 Ų7171.8 Ų71.833%0.33235%0.348SS..  trans-114164.2-176.1-60.7-55.3-46.200112.8N222 S223 P262 I263 V267 V272N222-Q265 PolarHBondContact OD1-N 2.88Å; S223-Q265 PolarHBondContact N-O 3.07Å; S223-Q265 PolarHBondContact OG-O 2.87Å; P262-Q265 HydrophobicContact CB-CB 3.98Å; P262-Q265 HydrophobicContact CB-CG 4.11Å; I263-Q265 VanDerWaalsContact C-N 3.27Å; I263-Q265 WeakPolarHBondContact O-CG 3.32Å; I263-Q265 PolarHBondContact O-N 3.15Å; I263-Q265 PolarHBondContact O-NE2 3.42Å; I263-Q265 VanDerWaalsContact O-NE2 3.13Å; Q265-V267 HydrophobicContact CB-CG2 4.12Å; Q265-V272 HydrophobicContact CB-CG1 4.09Å; Q265-V272 HydrophobicContact CB-CG2 3.98Å; Q265-V272 HydrophobicContact CG-CG1 4.02Å; Q265-V272 HydrophobicContact CG-CG2 3.9Å
266F98.5Very high96.8Very high3 Ų372.7 Ų72.71%0.01336%0.356CS..EExtended strand (participates in β ladder)trans-97.2125.1162.8-179.9-92.1000109.2T202 F206 S223 C225 V273 W275T202-F266 HydrophobicContact CG2-CB 4.34Å; T202-F266 HydrophobicContact CG2-CD2 3.82Å; T202-F266 HydrophobicContact CG2-CG 4.42Å; F206-F266 HydrophobicContact CE1-CB 4.29Å; F206-F266 HydrophobicContact CZ-CB 3.89Å; S223-F266 CarbonylContact O-C 3.58Å; S223-F266 WeakPolarHBondContact O-CA 3.43Å; S223-F266 WeakPolarHBondContact OG-CA 3.39Å; S223-F266 WeakPolarHBondContact OG-CD2 3.48Å; C225-F266 HydrophobicContact CB-CE1 4.43Å; C225-F266 HydrophobicContact CB-CZ 3.75Å; F266-V273 HydrophobicContact CD1-CB 3.97Å; F266-V273 HydrophobicContact CD1-CG1 4.32Å; F266-V273 HydrophobicContact CE1-CB 4.38Å; F266-V273 PolarHBondContact O-N 3.37Å; F266-W275 HydrophobicContact CB-CB 4.47Å; F266-W275 HydrophobicContact CB-CD2 4.45Å; F266-W275 HydrophobicContact CB-CE3 3.94Å; F266-W275 HydrophobicContact CB-CZ3 4.4Å; F266-W275 AromaticContact CD1-CE3 3.46Å; F266-W275 HydrophobicContact CD1-CE3 3.46Å; F266-W275 VanDerWaalsContact CD1-CE3 3.46Å; F266-W275 AromaticContact CD1-CZ3 3.42Å; F266-W275 HydrophobicContact CD1-CZ3 3.42Å; F266-W275 VanDerWaalsContact CD1-CZ3 3.42Å; F266-W275 AromaticContact CD2-CE3 3.8Å; F266-W275 HydrophobicContact CD2-CE3 3.8Å; F266-W275 AromaticContact CD2-CH2 3.72Å; F266-W275 HydrophobicContact CD2-CH2 3.72Å; F266-W275 AromaticContact CD2-CZ3 3.38Å; F266-W275 HydrophobicContact CD2-CZ3 3.38Å; F266-W275 AromaticContact CE1-CE3 3.87Å; F266-W275 HydrophobicContact CE1-CE3 3.87Å; F266-W275 HydrophobicContact CE1-CH2 4.35Å; F266-W275 AromaticContact CE1-CZ3 3.36Å; F266-W275 HydrophobicContact CE1-CZ3 3.36Å; F266-W275 HydrophobicContact CE2-CE3 4.14Å; F266-W275 AromaticContact CE2-CH2 3.49Å; F266-W275 HydrophobicContact CE2-CH2 3.49Å; F266-W275 VanDerWaalsContact CE2-CH2 3.49Å; F266-W275 AromaticContact CE2-CZ3 3.28Å; F266-W275 HydrophobicContact CE2-CZ3 3.28Å; F266-W275 HydrophobicContact CG-CD2 4.3Å; F266-W275 AromaticContact CG-CE3 3.43Å; F266-W275 HydrophobicContact CG-CE3 3.43Å; F266-W275 VanDerWaalsContact CG-CE3 3.43Å; F266-W275 HydrophobicContact CG-CH2 4.22Å; F266-W275 AromaticContact CG-CZ3 3.45Å; F266-W275 HydrophobicContact CG-CZ3 3.45Å; F266-W275 VanDerWaalsContact CG-CZ3 3.45Å; F266-W275 HydrophobicContact CZ-CE3 4.18Å; F266-W275 AromaticContact CZ-CH2 3.84Å; F266-W275 HydrophobicContact CZ-CH2 3.84Å; F266-W275 AromaticContact CZ-CZ3 3.26Å; F266-W275 HydrophobicContact CZ-CZ3 3.26Å
267V98.7Very high96.3Very high1 Ų174 Ų741%0.00635%0.352CS..EExtended strand (participates in β ladder)trans-123.7137.1-169-174.90000111.2S223 C224 C225 T248 L252 P262 Q265 R271 V272S223-V267 PolarHBondContact O-N 3.42Å; C224-V267 CarbonylContact C-O 3.58Å; C224-V267 WeakPolarHBondContact CA-O 3.25Å; C224-V267 HydrophobicContact CB-CB 4.39Å; C224-V267 VanDerWaalsContact CB-O 3.23Å; C224-V267 WeakPolarHBondContact CB-O 3.36Å; C225-V267 PolarHBondContact N-O 2.96Å; T248-V267 HydrophobicContact CG2-CB 4.32Å; T248-V267 HydrophobicContact CG2-CG1 3.88Å; L252-V267 HydrophobicContact CD1-CB 4.19Å; L252-V267 HydrophobicContact CD1-CG2 4.45Å; L252-V267 HydrophobicContact CD2-CB 4.34Å; L252-V267 HydrophobicContact CD2-CG1 4.32Å; L252-V267 HydrophobicContact CD2-CG2 4.04Å; P262-V267 HydrophobicContact CB-CG2 3.71Å; P262-V267 HydrophobicContact CG-CG2 3.87Å; Q265-V267 HydrophobicContact CB-CG2 4.12Å; V267-R271 CarbonylContact C-O 3.42Å; V267-R271 VanDerWaalsContact CA-O 3.31Å; V267-R271 WeakPolarHBondContact CA-O 3.26Å; V267-R271 WeakPolarHBondContact CG1-O 3.45Å; V267-V272 HydrophobicContact CG2-CG2 4.45Å
268Y98.1Very high96.2Very high78 Ų7871.8 Ų71.831%0.30634%0.339SS..EExtended strand (participates in β ladder)trans-142.4134.4175177.4-128000109.5C225 R270 R271C225-Y268 HydrophobicContact CB-CD2 3.65Å; C225-Y268 HydrophobicContact CB-CE2 4.38Å; C225-Y268 HydrophobicContact CB-CG 4.18Å; C225-Y268 WeakPolarHBondContact O-CD2 3.49Å; Y268-R270 PolarHBondContact O-N 3.34Å; Y268-R271 PolarHBondContact N-O 2.53Å; Y268-R271 WeakPolarHBondContact O-CB 3.41Å; Y268-R271 PolarHBondContact O-N 3.13Å
269E97.4Very high96.3Very high73 Ų7373.2 Ų73.234%0.34133%0.333SS..THydrogen-bonded Turntrans52.642.2-173.6-51.4-64.5174.500112.1K240 T248 R271K240-E269 WeakPolarHBondContact CE-OE1 3.31Å; K240-E269 IonicContact NZ-OE1 2.64Å; K240-E269 PolarHBondContact NZ-OE1 3.15Å; K240-E269 IonicContact NZ-OE2 3.88Å; K240-E269 PolarHBondContact NZ-OE2 3.16Å; T248-E269 PolarHBondContact OG1-N 3.02Å; E269-R271 PolarHBondContact O-N 3.24Å
270R97.9Very high96.4Very high109 Ų10975.8 Ų75.841%0.41134%0.341SS..THydrogen-bonded Turntrans5518.9-173.4-50.5-174.8179.7-157-2.8115.1D247 T248 Y251 Y268D247-R270 IonicContact OD1-CZ 3.35Å; D247-R270 IonicContact OD1-NE 3.31Å; D247-R270 PolarHBondContact OD1-NE 3.22Å; D247-R270 IonicContact OD1-NH2 2.94Å; D247-R270 PolarHBondContact OD1-NH2 3.41Å; D247-R270 WeakPolarHBondContact OD2-CG 3.4Å; D247-R270 IonicContact OD2-CZ 3.65Å; D247-R270 IonicContact OD2-NE 2.78Å; D247-R270 PolarHBondContact OD2-NE 2.97Å; D247-R270 IonicContact OD2-NH2 3.39Å; T248-R270 PolarHBondContact OG1-N 3.43Å; T248-R270 VanDerWaalsContact OG1-N 3.07Å; Y251-R270 HydrophobicContact CD1-CB 3.78Å; Y251-R270 HydrophobicContact CD1-CG 3.73Å; Y251-R270 HydrophobicContact CD2-CG 4.33Å; Y251-R270 HydrophobicContact CE1-CB 3.91Å; Y251-R270 HydrophobicContact CE1-CG 4.36Å; Y251-R270 HydrophobicContact CG-CB 4.15Å; Y251-R270 HydrophobicContact CG-CG 3.71Å; Y268-R270 PolarHBondContact O-N 3.34Å
271R97.9Very high96.5Very high191 Ų19169.5 Ų69.572%0.72131%0.314SS*.EExtended strand (participates in β ladder)trans-114.9139.3177.1-64.6175.5-173.3-168.61.1110.6V267 Y268 E269 V273V267-R271 CarbonylContact C-O 3.42Å; V267-R271 VanDerWaalsContact CA-O 3.31Å; V267-R271 WeakPolarHBondContact CA-O 3.26Å; V267-R271 WeakPolarHBondContact CG1-O 3.45Å; Y268-R271 PolarHBondContact N-O 2.53Å; Y268-R271 WeakPolarHBondContact O-CB 3.41Å; Y268-R271 PolarHBondContact O-N 3.13Å; E269-R271 PolarHBondContact O-N 3.24Å; R271-V273 PolarHBondContact O-N 2.92Å
272V97.9Very high96.6Very high52 Ų5265.9 Ų65.932%0.31530%0.297SS..EExtended strand (participates in β ladder)trans-64.8129.2171174.40000108.9E261 P262 Q265 V267E261-V272 HydrophobicContact CG-CG2 3.92Å; E261-V272 VanDerWaalsContact OE1-CG2 3.3Å; E261-V272 WeakPolarHBondContact OE1-CG2 3.46Å; P262-V272 HydrophobicContact CB-CG2 3.86Å; Q265-V272 HydrophobicContact CB-CG1 4.09Å; Q265-V272 HydrophobicContact CB-CG2 3.98Å; Q265-V272 HydrophobicContact CG-CG1 4.02Å; Q265-V272 HydrophobicContact CG-CG2 3.9Å; V267-V272 HydrophobicContact CG2-CG2 4.45Å
273V96.4Very high96.5Very high44 Ų4470.1 Ų70.127%0.26732%0.316SS..  trans-117.4124177.4172.70000108.3L145 F266 R271 W275L145-V273 HydrophobicContact CD2-CG1 4.05Å; F266-V273 HydrophobicContact CD1-CB 3.97Å; F266-V273 HydrophobicContact CD1-CG1 4.32Å; F266-V273 HydrophobicContact CE1-CB 4.38Å; F266-V273 PolarHBondContact O-N 3.37Å; R271-V273 PolarHBondContact O-N 2.92Å; V273-W275 PolarHBondContact O-N 3.01Å
274K95.8Very high96.4Very high150 Ų15069.9 Ų69.965%0.65231%0.311SS*.  trans-57.8121.3177.1-174.8-176.8179.2-1630110.2S276K274-S276 WeakPolarHBondContact CE-OG 3.27Å; K274-S276 WeakPolarHBondContact CG-OG 3.47Å; K274-S276 PolarHBondContact O-N 2.88Å
275W95.8Very high96.3Very high27 Ų2772.9 Ų72.910%0.10232%0.323CS..  trans-92.263.5-179.9-163.4-100.2000112.9S144 L145 L148 T202 F206 F266 V273S144-W275 VanDerWaalsContact CB-CH2 3.45Å; S144-W275 WeakPolarHBondContact OG-CH2 3.47Å; S144-W275 WeakPolarHBondContact OG-CZ2 3.37Å; L145-W275 HydrophobicContact CB-CE3 3.84Å; L145-W275 HydrophobicContact CB-CH2 4.25Å; L145-W275 HydrophobicContact CB-CZ3 3.63Å; L145-W275 HydrophobicContact CD1-CD2 4.36Å; L145-W275 HydrophobicContact CD1-CE3 4.19Å; L145-W275 HydrophobicContact CG-CE3 4.45Å; L145-W275 VanDerWaalsContact N-CH2 3.32Å; L148-W275 HydrophobicContact CD2-CG 4.48Å; T202-W275 HydrophobicContact CG2-CD2 3.8Å; T202-W275 VanDerWaalsContact CG2-CE2 3.4Å; T202-W275 HydrophobicContact CG2-CE3 4.32Å; T202-W275 HydrophobicContact CG2-CG 4.21Å; T202-W275 HydrophobicContact CG2-CH2 3.86Å; T202-W275 HydrophobicContact CG2-CZ2 3.39Å; T202-W275 HydrophobicContact CG2-CZ3 4.39Å; T202-W275 WeakPolarHBondContact OG1-CH2 3.4Å; T202-W275 WeakPolarHBondContact OG1-CZ2 3.5Å; F206-W275 HydrophobicContact CE2-CB 3.83Å; F206-W275 AromaticContact CE2-CD1 3.81Å; F206-W275 AromaticContact CE2-CG 3.89Å; F206-W275 HydrophobicContact CE2-CG 3.89Å; F206-W275 HydrophobicContact CZ-CB 3.92Å; F206-W275 HydrophobicContact CZ-CG 4.17Å; F266-W275 HydrophobicContact CB-CB 4.47Å; F266-W275 HydrophobicContact CB-CD2 4.45Å; F266-W275 HydrophobicContact CB-CE3 3.94Å; F266-W275 HydrophobicContact CB-CZ3 4.4Å; F266-W275 AromaticContact CD1-CE3 3.46Å; F266-W275 HydrophobicContact CD1-CE3 3.46Å; F266-W275 VanDerWaalsContact CD1-CE3 3.46Å; F266-W275 AromaticContact CD1-CZ3 3.42Å; F266-W275 HydrophobicContact CD1-CZ3 3.42Å; F266-W275 VanDerWaalsContact CD1-CZ3 3.42Å; F266-W275 AromaticContact CD2-CE3 3.8Å; F266-W275 HydrophobicContact CD2-CE3 3.8Å; F266-W275 AromaticContact CD2-CH2 3.72Å; F266-W275 HydrophobicContact CD2-CH2 3.72Å; F266-W275 AromaticContact CD2-CZ3 3.38Å; F266-W275 HydrophobicContact CD2-CZ3 3.38Å; F266-W275 AromaticContact CE1-CE3 3.87Å; F266-W275 HydrophobicContact CE1-CE3 3.87Å; F266-W275 HydrophobicContact CE1-CH2 4.35Å; F266-W275 AromaticContact CE1-CZ3 3.36Å; F266-W275 HydrophobicContact CE1-CZ3 3.36Å; F266-W275 HydrophobicContact CE2-CE3 4.14Å; F266-W275 AromaticContact CE2-CH2 3.49Å; F266-W275 HydrophobicContact CE2-CH2 3.49Å; F266-W275 VanDerWaalsContact CE2-CH2 3.49Å; F266-W275 AromaticContact CE2-CZ3 3.28Å; F266-W275 HydrophobicContact CE2-CZ3 3.28Å; F266-W275 HydrophobicContact CG-CD2 4.3Å; F266-W275 AromaticContact CG-CE3 3.43Å; F266-W275 HydrophobicContact CG-CE3 3.43Å; F266-W275 VanDerWaalsContact CG-CE3 3.43Å; F266-W275 HydrophobicContact CG-CH2 4.22Å; F266-W275 AromaticContact CG-CZ3 3.45Å; F266-W275 HydrophobicContact CG-CZ3 3.45Å; F266-W275 VanDerWaalsContact CG-CZ3 3.45Å; F266-W275 HydrophobicContact CZ-CE3 4.18Å; F266-W275 AromaticContact CZ-CH2 3.84Å; F266-W275 HydrophobicContact CZ-CH2 3.84Å; F266-W275 AromaticContact CZ-CZ3 3.26Å; F266-W275 HydrophobicContact CZ-CZ3 3.26Å; V273-W275 PolarHBondContact O-N 3.01Å
276S93.6Very high96.1Very high30 Ų3073.1 Ų73.121%0.2132%0.322CS..  trans-160.8169.5177.711.60000110.7Y156 K274Y156-S276 VanDerWaalsContact OH-CB 3.23Å; Y156-S276 WeakPolarHBondContact OH-CB 3.19Å; K274-S276 WeakPolarHBondContact CE-OG 3.27Å; K274-S276 WeakPolarHBondContact CG-OG 3.47Å; K274-S276 PolarHBondContact O-N 2.88Å
277K85.7Confident95.9Very high119 Ų11979.5 Ų79.552%0.51735%0.35SS..  trans-58.90164-74.2173.2-175.6-179.20110.6K149 D153 Y156K149-K277 HydrophobicContact CB-CG 4.48Å; K149-K277 HydrophobicContact CG-CG 3.91Å; K149-K277 WeakPolarHBondContact O-CE 3.21Å; D153-K277 IonicContact OD1-NZ 2.69Å; D153-K277 PolarHBondContact OD1-NZ 3.22Å; D153-K277 VanDerWaalsContact OD1-NZ 3.16Å; Y156-K277 HydrophobicContact CD1-CD 4.32Å; Y156-K277 HydrophobicContact CD2-CD 3.95Å; Y156-K277 HydrophobicContact CD2-CG 4.15Å; Y156-K277 HydrophobicContact CE1-CD 4.14Å; Y156-K277 HydrophobicContact CE1-CG 4.49Å; Y156-K277 HydrophobicContact CE2-CB 4.07Å; Y156-K277 HydrophobicContact CE2-CD 3.76Å; Y156-K277 HydrophobicContact CE2-CG 3.53Å; Y156-K277 HydrophobicContact CG-CD 4.24Å; Y156-K277 WeakPolarHBondContact OH-CB 3.38Å; Y156-K277 PolarHBondContact OH-N 3.29Å

Retrieved 277 of 277 residues in 104.6 ms (Link to these results)

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