A0A096MKP2_PAPAN Loading...

FERM domain containing 7

AlphaFold DB , UniProt , Accession A0A096MKP2, Species PAPAN (Papio anubis, Olive baboon), Gene FRMD7, Length 714 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
1M89.1Confident95.8Very high139 Ų13949.2 Ų49.269%0.68524%0.241SC*.  0147.10-65-55.3178.300111V17 V18 D19M1-V17 HydrophobicContact CB-CG1 3.83Å; M1-V17 HydrophobicContact CG-CG1 4.06Å; M1-V17 HydrophobicContact SD-CG1 4.25Å; M1-V18 CarbonylContact C-O 3.6Å; M1-V18 WeakPolarHBondContact CA-O 3.44Å; M1-D19 VanDerWaalsContact CE-OD1 3.25Å; M1-D19 WeakPolarHBondContact CE-OD1 3.12Å
2L93.7Very high95.8Very high11 Ų1148.8 Ų48.86%0.05825%0.247CC..EExtended strand (participates in β ladder)trans-111.3134.3171.7-66.3175.5000108.8L4 V17 V18 T64 P70 K71L2-L4 HydrophobicContact CB-CD2 4.03Å; L2-L4 HydrophobicContact CB-CG 4.1Å; L2-V17 WeakPolarHBondContact O-CA 3.4Å; L2-V18 HydrophobicContact CB-CG2 3.91Å; L2-V18 HydrophobicContact CD1-CG2 4.46Å; L2-V18 PolarHBondContact N-O 3.39Å; L2-V18 PolarHBondContact O-N 3.47Å; L2-T64 HydrophobicContact CD1-CG2 3.79Å; L2-P70 HydrophobicContact CD1-CG 4.4Å; L2-P70 HydrophobicContact CD2-CG 4.36Å; L2-K71 HydrophobicContact CD2-CG 4.44Å
3H96.1Very high95.9Very high103 Ų10353.1 Ų53.148%0.47727%0.265SS..EExtended strand (participates in β ladder)trans-105.4107.2175.4-67.5-126.1000106.5I15 F16H3-I15 HydrophobicContact CB-CG2 3.88Å; H3-F16 WeakPolarHBondContact CA-O 3.43Å
4L97.7Very high95.9Very high0 Ų054.9 Ų54.90%027%0.271CS..EExtended strand (participates in β ladder)trans-113.1126.9-171.1-56.9-176.7000109.4L2 I15 F16 V18 L27 I63 P70 F75L2-L4 HydrophobicContact CB-CD2 4.03Å; L2-L4 HydrophobicContact CB-CG 4.1Å; L4-I15 WeakPolarHBondContact O-CA 3.42Å; L4-F16 PolarHBondContact N-O 3.2Å; L4-F16 PolarHBondContact O-N 3.41Å; L4-V18 HydrophobicContact CD1-CG2 3.51Å; L4-V18 HydrophobicContact CG-CG2 4.08Å; L4-L27 HydrophobicContact CB-CD1 4.14Å; L4-L27 HydrophobicContact CB-CD2 4.33Å; L4-L27 HydrophobicContact CD1-CD1 4.27Å; L4-L27 HydrophobicContact CD1-CD2 3.83Å; L4-I63 HydrophobicContact CD1-CD1 3.62Å; L4-I63 HydrophobicContact CD1-CG2 4.23Å; L4-P70 HydrophobicContact CD2-CB 3.82Å; L4-P70 HydrophobicContact CD2-CG 4.46Å; L4-P70 WeakPolarHBondContact CD2-O 3.42Å; L4-F75 HydrophobicContact CB-CD2 4.48Å; L4-F75 HydrophobicContact CB-CE2 4.28Å; L4-F75 HydrophobicContact CD1-CE2 4.48Å; L4-F75 HydrophobicContact CD2-CE2 4.25Å
5K97.9Very high96.1Very high79 Ų7958.1 Ų58.134%0.34329%0.288SS..EExtended strand (participates in β ladder)trans-89.3125.3-178.9179.9-179.4-86-158.50110.2Q13 V74 F75K5-Q13 VanDerWaalsContact CD-OE1 3.26Å; K5-V74 HydrophobicContact CD-CG1 4.4Å; K5-V74 HydrophobicContact CD-CG2 3.86Å; K5-V74 HydrophobicContact CG-CG1 4.4Å; K5-F75 PolarHBondContact O-N 2.79Å
6V98.6Very high96.2Very high0 Ų055.4 Ų55.40%027%0.274CS..EExtended strand (participates in β ladder)trans-114.8127.8173.81790000108.9F8 Q13 K14 F16 L27 L45 F75 F77V6-F8 HydrophobicContact CB-CZ 4.47Å; V6-F8 HydrophobicContact CG1-CD1 4.45Å; V6-F8 HydrophobicContact CG1-CE1 4.07Å; V6-F8 HydrophobicContact CG1-CE2 4.19Å; V6-F8 HydrophobicContact CG1-CZ 3.91Å; V6-Q13 CarbonylContact O-C 3.58Å; V6-Q13 VanDerWaalsContact O-CA 3.31Å; V6-Q13 WeakPolarHBondContact O-CA 3.25Å; V6-K14 PolarHBondContact N-O 3.2Å; V6-K14 PolarHBondContact O-N 3.26Å; V6-F16 HydrophobicContact CB-CD2 4.1Å; V6-F16 HydrophobicContact CB-CE2 3.89Å; V6-F16 HydrophobicContact CG2-CD2 3.66Å; V6-F16 HydrophobicContact CG2-CE2 3.86Å; V6-L27 HydrophobicContact CG2-CD1 4.02Å; V6-L27 HydrophobicContact CG2-CD2 4.47Å; V6-L27 HydrophobicContact CG2-CG 4.38Å; V6-L45 HydrophobicContact CG1-CD2 3.81Å; V6-L45 HydrophobicContact CG2-CD2 4.44Å; V6-F75 CarbonylContact C-O 3.57Å; V6-F75 VanDerWaalsContact CA-O 3.23Å; V6-F75 WeakPolarHBondContact CA-O 3.1Å; V6-F75 HydrophobicContact CG2-CB 4.2Å; V6-F77 HydrophobicContact CG1-CB 4.24Å
7Q98.4Very high96.2Very high41 Ų4156.9 Ų56.919%0.19229%0.287CS..EExtended strand (participates in β ladder)trans-99.9129.3170-178.1-179.98.200109.2D11 S12 Q13 V74 F75 F77Q7-D11 PolarHBondContact NE2-OD1 3.38Å; Q7-S12 CarbonylContact C-O 3.54Å; Q7-S12 WeakPolarHBondContact CA-O 3.47Å; Q7-Q13 HydrophobicContact CB-CG 4.12Å; Q7-Q13 HydrophobicContact CG-CG 4.2Å; Q7-V74 HydrophobicContact CB-CG1 3.8Å; Q7-F75 PolarHBondContact N-O 3.17Å; Q7-F77 PolarHBondContact O-N 3.16Å
8F98.1Very high96.2Very high3 Ų354.1 Ų54.11%0.01327%0.273CS..  trans-93.6177.2-177.7-67.3-79.4000113.1V6 D10 D11 S12 K14 F16 H34 L35 F77 K104V6-F8 HydrophobicContact CB-CZ 4.47Å; V6-F8 HydrophobicContact CG1-CD1 4.45Å; V6-F8 HydrophobicContact CG1-CE1 4.07Å; V6-F8 HydrophobicContact CG1-CE2 4.19Å; V6-F8 HydrophobicContact CG1-CZ 3.91Å; F8-D10 VanDerWaalsContact CB-OD1 3.29Å; F8-D10 WeakPolarHBondContact CB-OD1 3.43Å; F8-D10 PolarHBondContact O-N 3.49Å; F8-D11 PolarHBondContact O-N 3.14Å; F8-S12 PolarHBondContact N-O 3.22Å; F8-K14 HydrophobicContact CE2-CB 3.83Å; F8-F16 HydrophobicContact CE2-CE2 4.42Å; F8-F16 AromaticContact CZ-CE2 3.98Å; F8-F16 HydrophobicContact CZ-CE2 3.98Å; F8-F16 HydrophobicContact CZ-CZ 4.05Å; F8-H34 AromaticContact CE2-CD2 3.66Å; F8-H34 AromaticContact CZ-CD2 3.62Å; F8-L35 HydrophobicContact CD1-CD1 3.76Å; F8-L35 HydrophobicContact CD1-CD2 4Å; F8-L35 HydrophobicContact CD1-CG 4.08Å; F8-L35 HydrophobicContact CE1-CD1 3.82Å; F8-L35 HydrophobicContact CE1-CD2 4.12Å; F8-L35 HydrophobicContact CE1-CG 3.87Å; F8-L35 HydrophobicContact CG-CD2 4.47Å; F8-F77 HydrophobicContact CD1-CB 3.81Å; F8-F77 HydrophobicContact CD1-CD1 4.27Å; F8-F77 HydrophobicContact CD1-CD2 4.43Å; F8-F77 AromaticContact CD1-CG 3.93Å; F8-F77 HydrophobicContact CD1-CG 3.93Å; F8-F77 HydrophobicContact CE1-CB 4.31Å; F8-F77 HydrophobicContact CE1-CD2 4.3Å; F8-F77 HydrophobicContact CE1-CG 4.26Å; F8-K104 PolarHBondContact O-NZ 3.31Å; F8-K104 VanDerWaalsContact O-NZ 3.11Å
9L96.6Very high96.2Very high2 Ų256.1 Ų56.11%0.0128%0.284CS..THydrogen-bonded Turntrans-67.9-24.8-176.7-76.3166000112.9D11 F43 F77 M78 V79 L97 L100 Q101 K104L9-D11 VanDerWaalsContact C-N 3.25Å; L9-D11 PolarHBondContact O-N 3.48Å; L9-F43 HydrophobicContact CD1-CD1 4.2Å; L9-F43 HydrophobicContact CD1-CE1 3.88Å; L9-F77 HydrophobicContact CD1-CD1 4.25Å; L9-F77 HydrophobicContact CG-CD1 4.42Å; L9-F77 WeakPolarHBondContact CG-O 3.33Å; L9-M78 HydrophobicContact CD2-SD 4.16Å; L9-V79 HydrophobicContact CD1-CG2 4.26Å; L9-L97 HydrophobicContact CB-CD2 4.3Å; L9-L97 HydrophobicContact CD1-CB 3.94Å; L9-L97 HydrophobicContact CD1-CD2 4.2Å; L9-L97 WeakPolarHBondContact CD1-O 3.07Å; L9-L100 HydrophobicContact CB-CB 3.89Å; L9-L100 HydrophobicContact CB-CD1 3.99Å; L9-Q101 HydrophobicContact CD2-CB 4.2Å; L9-K104 HydrophobicContact CD2-CD 4.28Å; L9-K104 WeakPolarHBondContact O-CE 3.32Å; L9-K104 PolarHBondContact O-NZ 3.21Å
10D93.8Very high96Very high72 Ų7259.8 Ų59.839%0.38530%0.301SS..THydrogen-bonded Turntrans-86.410172.166-12.1000113.3F8 S12 L100F8-D10 VanDerWaalsContact CB-OD1 3.29Å; F8-D10 WeakPolarHBondContact CB-OD1 3.43Å; F8-D10 PolarHBondContact O-N 3.49Å; D10-S12 PolarHBondContact O-N 3.4Å; D10-S12 VanDerWaalsContact O-N 3.12Å; D10-S12 VanDerWaalsContact OD1-CB 3.27Å; D10-S12 WeakPolarHBondContact OD1-CB 3.13Å; D10-S12 PolarHBondContact OD1-N 3.27Å; D10-S12 VanDerWaalsContact OD1-N 3.08Å; D10-S12 PolarHBondContact OD1-OG 3.02Å; D10-S12 PolarHBondContact OD2-OG 3.49Å; D10-L100 HydrophobicContact CB-CD1 3.94Å
11D94.2Very high95.9Very high91 Ų9166 Ų6649%0.48733%0.326SS..SBendtrans66.32-176.6-62.3-47.6000115.9Q7 F8 L9 K104Q7-D11 PolarHBondContact NE2-OD1 3.38Å; F8-D11 PolarHBondContact O-N 3.14Å; L9-D11 VanDerWaalsContact C-N 3.25Å; L9-D11 PolarHBondContact O-N 3.48Å; D11-K104 VanDerWaalsContact OD1-CE 3.23Å; D11-K104 WeakPolarHBondContact OD1-CE 3.27Å; D11-K104 IonicContact OD1-NZ 3.99Å; D11-K104 PolarHBondContact OD1-NZ 3.46Å; D11-K104 IonicContact OD2-NZ 2.96Å
12S95.3Very high96.2Very high45 Ų4560.3 Ų60.332%0.31530%0.299SS..  trans-61.4148.2169.373.10000110.8Q7 F8 D10Q7-S12 CarbonylContact C-O 3.54Å; Q7-S12 WeakPolarHBondContact CA-O 3.47Å; F8-S12 PolarHBondContact N-O 3.22Å; D10-S12 PolarHBondContact O-N 3.4Å; D10-S12 VanDerWaalsContact O-N 3.12Å; D10-S12 VanDerWaalsContact OD1-CB 3.27Å; D10-S12 WeakPolarHBondContact OD1-CB 3.13Å; D10-S12 PolarHBondContact OD1-N 3.27Å; D10-S12 VanDerWaalsContact OD1-N 3.08Å; D10-S12 PolarHBondContact OD1-OG 3.02Å; D10-S12 PolarHBondContact OD2-OG 3.49Å
13Q96.8Very high96.3Very high104 Ų10461.7 Ų61.749%0.48631%0.31SS..EExtended strand (participates in β ladder)trans-120.6138.1178.3-65.6-176.715.300110.8K5 V6 Q7K5-Q13 VanDerWaalsContact CD-OE1 3.26Å; V6-Q13 CarbonylContact O-C 3.58Å; V6-Q13 VanDerWaalsContact O-CA 3.31Å; V6-Q13 WeakPolarHBondContact O-CA 3.25Å; Q7-Q13 HydrophobicContact CB-CG 4.12Å; Q7-Q13 HydrophobicContact CG-CG 4.2Å
14K97Very high96.4Very high78 Ų7856.8 Ų56.834%0.33929%0.288SS..EExtended strand (participates in β ladder)trans-132.1142172.2-171.1172.1176.193.80110.8V6 F8 F16 H34V6-K14 PolarHBondContact N-O 3.2Å; V6-K14 PolarHBondContact O-N 3.26Å; F8-K14 HydrophobicContact CE2-CB 3.83Å; K14-F16 HydrophobicContact CB-CE2 4.06Å; K14-F16 HydrophobicContact CB-CZ 4.34Å; K14-F16 HydrophobicContact CD-CE1 3.85Å; K14-F16 HydrophobicContact CD-CE2 4.1Å; K14-F16 HydrophobicContact CD-CZ 3.55Å; K14-F16 HydrophobicContact CG-CE1 4.43Å; K14-F16 HydrophobicContact CG-CE2 4.12Å; K14-F16 HydrophobicContact CG-CZ 4.07Å; K14-H34 HydrophobicContact CD-CB 4.26Å; K14-H34 VanDerWaalsContact CD-CD2 3.4Å; K14-H34 WeakPolarHBondContact CD-CD2 3.34Å; K14-H34 VanDerWaalsContact CD-CG 3.46Å; K14-H34 WeakPolarHBondContact CD-NE2 3.39Å
15I97.9Very high96.3Very high103 Ų10360 Ų6053%0.52830%0.302SS..EExtended strand (participates in β ladder)trans-96.5126.3171.9-59.7174.4000108.2H3 L4H3-I15 HydrophobicContact CB-CG2 3.88Å; L4-I15 WeakPolarHBondContact O-CA 3.42Å
16F97.8Very high96.3Very high16 Ų1657.9 Ų57.97%0.0730%0.299CS..EExtended strand (participates in β ladder)trans-106.8138.2173.3-66.8-82.1000110.2H3 L4 V6 F8 K14 L27 L30 H34H3-F16 WeakPolarHBondContact CA-O 3.43Å; L4-F16 PolarHBondContact N-O 3.2Å; L4-F16 PolarHBondContact O-N 3.41Å; V6-F16 HydrophobicContact CB-CD2 4.1Å; V6-F16 HydrophobicContact CB-CE2 3.89Å; V6-F16 HydrophobicContact CG2-CD2 3.66Å; V6-F16 HydrophobicContact CG2-CE2 3.86Å; F8-F16 HydrophobicContact CE2-CE2 4.42Å; F8-F16 AromaticContact CZ-CE2 3.98Å; F8-F16 HydrophobicContact CZ-CE2 3.98Å; F8-F16 HydrophobicContact CZ-CZ 4.05Å; K14-F16 HydrophobicContact CB-CE2 4.06Å; K14-F16 HydrophobicContact CB-CZ 4.34Å; K14-F16 HydrophobicContact CD-CE1 3.85Å; K14-F16 HydrophobicContact CD-CE2 4.1Å; K14-F16 HydrophobicContact CD-CZ 3.55Å; K14-F16 HydrophobicContact CG-CE1 4.43Å; K14-F16 HydrophobicContact CG-CE2 4.12Å; K14-F16 HydrophobicContact CG-CZ 4.07Å; F16-L27 HydrophobicContact CB-CD1 3.77Å; F16-L27 HydrophobicContact CD2-CD1 4.07Å; F16-L27 HydrophobicContact CG-CD1 4.15Å; F16-L30 HydrophobicContact CD1-CB 3.76Å; F16-L30 HydrophobicContact CD1-CD1 4.45Å; F16-L30 HydrophobicContact CE1-CB 3.94Å; F16-L30 WeakPolarHBondContact CE1-O 3.46Å; F16-L30 HydrophobicContact CG-CB 4.43Å; F16-H34 HydrophobicContact CE1-CB 4.1Å; F16-H34 HydrophobicContact CZ-CB 3.84Å
17V96.8Very high96.3Very high80 Ų8057.9 Ų57.949%0.48530%0.299SS..EExtended strand (participates in β ladder)trans-98.1121.7174.4-174.30000108.4M1 L2M1-V17 HydrophobicContact CB-CG1 3.83Å; M1-V17 HydrophobicContact CG-CG1 4.06Å; M1-V17 HydrophobicContact SD-CG1 4.25Å; L2-V17 WeakPolarHBondContact O-CA 3.4Å
18V96.1Very high96.3Very high7 Ų756.4 Ų56.44%0.04229%0.292CS..EExtended strand (participates in β ladder)trans-133.5160.2179.9-57.50000111.3M1 L2 L4 L27 L30 I63M1-V18 CarbonylContact C-O 3.6Å; M1-V18 WeakPolarHBondContact CA-O 3.44Å; L2-V18 HydrophobicContact CB-CG2 3.91Å; L2-V18 HydrophobicContact CD1-CG2 4.46Å; L2-V18 PolarHBondContact N-O 3.39Å; L2-V18 PolarHBondContact O-N 3.47Å; L4-V18 HydrophobicContact CD1-CG2 3.51Å; L4-V18 HydrophobicContact CG-CG2 4.08Å; V18-L27 HydrophobicContact CG1-CD1 4.43Å; V18-L30 HydrophobicContact CG1-CD1 3.61Å; V18-I63 HydrophobicContact CG2-CD1 4.41Å
19D95.6Very high96.2Very high91 Ų9158.6 Ų58.649%0.48730%0.303SS..  trans-68.4154.8174.3-65.5-44.7000111.9M1 K21 S22M1-D19 VanDerWaalsContact CE-OD1 3.25Å; M1-D19 WeakPolarHBondContact CE-OD1 3.12Å; D19-K21 PolarHBondContact O-N 3.5Å; D19-S22 WeakPolarHBondContact CA-OG 3.49Å; D19-S22 WeakPolarHBondContact CB-OG 3.41Å; D19-S22 PolarHBondContact N-OG 3.09Å; D19-S22 VanDerWaalsContact O-CB 3.23Å; D19-S22 WeakPolarHBondContact O-CB 3.42Å; D19-S22 PolarHBondContact O-N 3.07Å; D19-S22 PolarHBondContact O-OG 3.47Å; D19-S22 VanDerWaalsContact O-OG 3.12Å
20Q92.1Very high96.3Very high131 Ų13162 Ų6261%0.61232%0.321SS*.THydrogen-bonded Turntrans-65.1-22.8179.1-164.9173.518.500113.1T64Q20-T64 HydrophobicContact CG-CG2 4.1Å; Q20-T64 WeakPolarHBondContact O-CG2 3.43Å; Q20-T64 PolarHBondContact O-OG1 3.47Å
21K93.8Very high96.5Very high191 Ų19158.5 Ų58.583%0.8330%0.303SS*.THydrogen-bonded Turntrans-94-1.7176.9-63.3179.6-177.8173.80112.8D19D19-K21 PolarHBondContact O-N 3.5Å
22S96Very high96.6Very high18 Ų1854.4 Ų54.413%0.12628%0.281CS..  trans-59.3139.6-177.3-66.70000112.2D19 P62 I63D19-S22 WeakPolarHBondContact CA-OG 3.49Å; D19-S22 WeakPolarHBondContact CB-OG 3.41Å; D19-S22 PolarHBondContact N-OG 3.09Å; D19-S22 VanDerWaalsContact O-CB 3.23Å; D19-S22 WeakPolarHBondContact O-CB 3.42Å; D19-S22 PolarHBondContact O-N 3.07Å; D19-S22 PolarHBondContact O-OG 3.47Å; D19-S22 VanDerWaalsContact O-OG 3.12Å; S22-P62 WeakPolarHBondContact O-CA 3.23Å; S22-I63 PolarHBondContact O-N 2.93Å
23S96.8Very high96.7Very high41 Ų4156.6 Ų56.629%0.28730%0.296SS..BIsolated β-bridgetrans-76.9162.7173.664.90000111.4K25 A26 L59 K61S23-K25 PolarHBondContact O-N 3.36Å; S23-A26 WeakPolarHBondContact O-CB 3.45Å; S23-A26 PolarHBondContact O-N 3.35Å; S23-A26 VanDerWaalsContact O-N 3.09Å; S23-L59 WeakPolarHBondContact CB-O 3.28Å; S23-K61 CarbonylContact C-O 3.59Å; S23-K61 WeakPolarHBondContact CA-O 3.39Å
24G96.9Very high96.6Very high0 Ų055.8 Ų55.80%029%0.292CS..Hα-helixtrans-56-33.5171.100000112.6A26 L27 F28 L59 K61G24-A26 VanDerWaalsContact C-N 3.28Å; G24-A26 PolarHBondContact O-N 3.07Å; G24-L27 PolarHBondContact O-N 3.37Å; G24-F28 WeakPolarHBondContact O-CB 3.48Å; G24-F28 PolarHBondContact O-N 3.04Å; G24-L59 PolarHBondContact N-O 3.46Å; G24-K61 PolarHBondContact N-O 2.83Å
25K96.8Very high96.5Very high68 Ų6853.8 Ų53.830%0.29629%0.285SS..Hα-helixtrans-60-35.7176.6-166.1166.6-174.2166.30112.5S23 N29 L59 S302S23-K25 PolarHBondContact O-N 3.36Å; K25-N29 VanDerWaalsContact O-CB 3.29Å; K25-N29 WeakPolarHBondContact O-CB 3.44Å; K25-N29 VanDerWaalsContact O-CG 3.25Å; K25-N29 PolarHBondContact O-N 3.06Å; K25-N29 PolarHBondContact O-ND2 2.92Å; K25-L59 HydrophobicContact CB-CB 4.03Å; K25-L59 VanDerWaalsContact CB-O 3.31Å; K25-L59 WeakPolarHBondContact CB-O 3.44Å; K25-L59 PolarHBondContact N-O 3.43Å; K25-S302 PolarHBondContact NZ-OG 3.32Å
26A97.3Very high96.2Very high34 Ų3453.4 Ų53.428%0.28128%0.284SS..Hα-helixtrans-66.1-50.817900000111.5S23 G24 F28 N29 L30S23-A26 WeakPolarHBondContact O-CB 3.45Å; S23-A26 PolarHBondContact O-N 3.35Å; S23-A26 VanDerWaalsContact O-N 3.09Å; G24-A26 VanDerWaalsContact C-N 3.28Å; G24-A26 PolarHBondContact O-N 3.07Å; A26-F28 VanDerWaalsContact C-N 3.34Å; A26-F28 PolarHBondContact O-N 3.19Å; A26-N29 PolarHBondContact O-N 2.77Å; A26-L30 WeakPolarHBondContact O-CG 3.41Å; A26-L30 PolarHBondContact O-N 3.36Å
27L97.9Very high96Very high0 Ų053.3 Ų53.30%028%0.284CS..Hα-helixtrans-61.9-43176.3178.665.3000111.5L4 V6 F16 V18 G24 L30 S31 L45 L57 I63 F75L4-L27 HydrophobicContact CB-CD1 4.14Å; L4-L27 HydrophobicContact CB-CD2 4.33Å; L4-L27 HydrophobicContact CD1-CD1 4.27Å; L4-L27 HydrophobicContact CD1-CD2 3.83Å; V6-L27 HydrophobicContact CG2-CD1 4.02Å; V6-L27 HydrophobicContact CG2-CD2 4.47Å; V6-L27 HydrophobicContact CG2-CG 4.38Å; F16-L27 HydrophobicContact CB-CD1 3.77Å; F16-L27 HydrophobicContact CD2-CD1 4.07Å; F16-L27 HydrophobicContact CG-CD1 4.15Å; V18-L27 HydrophobicContact CG1-CD1 4.43Å; G24-L27 PolarHBondContact O-N 3.37Å; L27-L30 PolarHBondContact O-N 3.36Å; L27-S31 PolarHBondContact O-N 2.84Å; L27-S31 PolarHBondContact O-OG 3.14Å; L27-L45 HydrophobicContact CB-CD1 4.45Å; L27-L45 HydrophobicContact CD2-CD1 3.85Å; L27-L45 HydrophobicContact CG-CD1 3.8Å; L27-L57 HydrophobicContact CD2-CD2 4.16Å; L27-I63 HydrophobicContact CB-CD1 3.81Å; L27-I63 HydrophobicContact CD2-CD1 4.16Å; L27-F75 HydrophobicContact CD2-CD1 4.4Å; L27-F75 HydrophobicContact CD2-CD2 4.13Å; L27-F75 HydrophobicContact CD2-CE2 4.35Å; L27-F75 HydrophobicContact CD2-CG 4.17Å
28F98.3Very high95.8Very high10 Ų1051.1 Ų51.14%0.04427%0.274CS..Hα-helixtrans-61.9-47.9178.8-178.8-115.7000111.9G24 A26 L30 S31 C32 K40 F43 L45 L59 F77G24-F28 WeakPolarHBondContact O-CB 3.48Å; G24-F28 PolarHBondContact O-N 3.04Å; A26-F28 VanDerWaalsContact C-N 3.34Å; A26-F28 PolarHBondContact O-N 3.19Å; F28-L30 PolarHBondContact O-N 3.2Å; F28-S31 WeakPolarHBondContact O-CA 3.41Å; F28-S31 WeakPolarHBondContact O-CB 3.23Å; F28-S31 PolarHBondContact O-N 3.32Å; F28-S31 VanDerWaalsContact O-N 3.1Å; F28-C32 PolarHBondContact O-N 2.92Å; F28-C32 PolarHBondContact O-SG 3.14Å; F28-K40 HydrophobicContact CE1-CB 4.42Å; F28-K40 HydrophobicContact CZ-CB 4.48Å; F28-K40 WeakPolarHBondContact CZ-O 3.29Å; F28-F43 HydrophobicContact CE2-CB 4.29Å; F28-F43 HydrophobicContact CZ-CB 4.31Å; F28-F43 VanDerWaalsContact CZ-O 3.25Å; F28-F43 WeakPolarHBondContact CZ-O 3.48Å; F28-L45 HydrophobicContact CB-CD1 4.19Å; F28-L45 HydrophobicContact CD2-CD1 4.33Å; F28-L45 HydrophobicContact CD2-CG 4.06Å; F28-L59 HydrophobicContact CB-CD2 3.82Å; F28-L59 HydrophobicContact CD1-CD1 4.43Å; F28-L59 HydrophobicContact CD1-CD2 4.02Å; F28-L59 HydrophobicContact CG-CD2 3.97Å; F28-F77 HydrophobicContact CD2-CE2 4.34Å; F28-F77 HydrophobicContact CE2-CD2 4.43Å; F28-F77 AromaticContact CE2-CE2 3.79Å; F28-F77 HydrophobicContact CE2-CE2 3.79Å
29N97.5Very high95.7Very high49 Ų4951 Ų5126%0.26227%0.274SS..Hα-helixtrans-61-42.5177.3-78.1-25.2000112.1K25 A26 S31 C32 S33 K40K25-N29 VanDerWaalsContact O-CB 3.29Å; K25-N29 WeakPolarHBondContact O-CB 3.44Å; K25-N29 VanDerWaalsContact O-CG 3.25Å; K25-N29 PolarHBondContact O-N 3.06Å; K25-N29 PolarHBondContact O-ND2 2.92Å; A26-N29 PolarHBondContact O-N 2.77Å; N29-S31 VanDerWaalsContact C-N 3.27Å; N29-S31 PolarHBondContact O-N 2.97Å; N29-C32 PolarHBondContact O-N 3.36Å; N29-S33 WeakPolarHBondContact O-CB 3.31Å; N29-S33 PolarHBondContact O-N 3.48Å; N29-S33 PolarHBondContact O-OG 3.46Å; N29-S33 VanDerWaalsContact O-OG 3.11Å; N29-K40 PolarHBondContact OD1-NZ 2.73Å
30L97.9Very high95.7Very high72 Ų7249.6 Ų49.638%0.37726%0.263SS..Hα-helixtrans-59.5-39.6174.3-73.2170.7000112F16 V18 A26 L27 F28 S33 H34F16-L30 HydrophobicContact CD1-CB 3.76Å; F16-L30 HydrophobicContact CD1-CD1 4.45Å; F16-L30 HydrophobicContact CE1-CB 3.94Å; F16-L30 WeakPolarHBondContact CE1-O 3.46Å; F16-L30 HydrophobicContact CG-CB 4.43Å; V18-L30 HydrophobicContact CG1-CD1 3.61Å; A26-L30 WeakPolarHBondContact O-CG 3.41Å; A26-L30 PolarHBondContact O-N 3.36Å; L27-L30 PolarHBondContact O-N 3.36Å; F28-L30 PolarHBondContact O-N 3.2Å; L30-S33 PolarHBondContact O-N 3.16Å; L30-H34 PolarHBondContact O-N 3.1Å
31S98Very high95.9Very high0 Ų044 Ų440%024%0.237CC..Hα-helixtrans-63.8-45.6176.4-50.30000111.3L27 F28 N29 H34 L35L27-S31 PolarHBondContact O-N 2.84Å; L27-S31 PolarHBondContact O-OG 3.14Å; F28-S31 WeakPolarHBondContact O-CA 3.41Å; F28-S31 WeakPolarHBondContact O-CB 3.23Å; F28-S31 PolarHBondContact O-N 3.32Å; F28-S31 VanDerWaalsContact O-N 3.1Å; N29-S31 VanDerWaalsContact C-N 3.27Å; N29-S31 PolarHBondContact O-N 2.97Å; S31-H34 WeakPolarHBondContact O-CB 3.45Å; S31-H34 PolarHBondContact O-N 3.03Å; S31-L35 PolarHBondContact O-N 3.44Å
32C97.1Very high96.1Very high4 Ų435 Ų353%0.02720%0.198CC..Hα-helixtrans-66.4-39.8176.6-60.40000112.5F28 N29 H34 L35 N36 L37 K40F28-C32 PolarHBondContact O-N 2.92Å; F28-C32 PolarHBondContact O-SG 3.14Å; N29-C32 PolarHBondContact O-N 3.36Å; C32-H34 VanDerWaalsContact C-N 3.31Å; C32-H34 PolarHBondContact O-N 3.32Å; C32-L35 CarbonylContact O-C 3.57Å; C32-L35 PolarHBondContact O-N 3.18Å; C32-N36 PolarHBondContact O-N 2.96Å; C32-L37 HydrophobicContact CB-CB 4.31Å; C32-L37 PolarHBondContact O-N 3.08Å; C32-K40 HydrophobicContact CB-CB 4.04Å; C32-K40 HydrophobicContact CB-CD 4.36Å; C32-K40 VanDerWaalsContact SG-CB 3.55Å
33S96Very high96.2Very high92 Ų9234.4 Ų34.464%0.64319%0.193SC*.Hα-helixtrans-63.7-37.2175.8-68.40000111.9N29 L30 L35 N36N29-S33 WeakPolarHBondContact O-CB 3.31Å; N29-S33 PolarHBondContact O-N 3.48Å; N29-S33 PolarHBondContact O-OG 3.46Å; N29-S33 VanDerWaalsContact O-OG 3.11Å; L30-S33 PolarHBondContact O-N 3.16Å; S33-L35 PolarHBondContact O-N 3.35Å; S33-N36 PolarHBondContact O-N 3.43Å; S33-N36 VanDerWaalsContact O-N 3.1Å
34H95.2Very high96.3Very high87 Ų8732.8 Ų32.840%0.40318%0.182SC..Hα-helixtrans-60.4-36.4174.5177.147.1000112.7F8 K14 F16 L30 S31 C32F8-H34 AromaticContact CE2-CD2 3.66Å; F8-H34 AromaticContact CZ-CD2 3.62Å; K14-H34 HydrophobicContact CD-CB 4.26Å; K14-H34 VanDerWaalsContact CD-CD2 3.4Å; K14-H34 WeakPolarHBondContact CD-CD2 3.34Å; K14-H34 VanDerWaalsContact CD-CG 3.46Å; K14-H34 WeakPolarHBondContact CD-NE2 3.39Å; F16-H34 HydrophobicContact CE1-CB 4.1Å; F16-H34 HydrophobicContact CZ-CB 3.84Å; L30-H34 PolarHBondContact O-N 3.1Å; S31-H34 WeakPolarHBondContact O-CB 3.45Å; S31-H34 PolarHBondContact O-N 3.03Å; C32-H34 VanDerWaalsContact C-N 3.31Å; C32-H34 PolarHBondContact O-N 3.32Å
35L93.9Very high96.3Very high35 Ų3533 Ų3318%0.18318%0.183CC..THydrogen-bonded Turntrans-84.3-7.8176.7-62.6177.9000113.5F8 S31 C32 S33 L37 F77 L93 L97F8-L35 HydrophobicContact CD1-CD1 3.76Å; F8-L35 HydrophobicContact CD1-CD2 4Å; F8-L35 HydrophobicContact CD1-CG 4.08Å; F8-L35 HydrophobicContact CE1-CD1 3.82Å; F8-L35 HydrophobicContact CE1-CD2 4.12Å; F8-L35 HydrophobicContact CE1-CG 3.87Å; F8-L35 HydrophobicContact CG-CD2 4.47Å; S31-L35 PolarHBondContact O-N 3.44Å; C32-L35 CarbonylContact O-C 3.57Å; C32-L35 PolarHBondContact O-N 3.18Å; S33-L35 PolarHBondContact O-N 3.35Å; L35-L37 VanDerWaalsContact C-N 3.26Å; L35-L37 HydrophobicContact CB-CB 4.14Å; L35-L37 PolarHBondContact O-N 2.62Å; L35-F77 HydrophobicContact CD1-CD1 4.29Å; L35-F77 HydrophobicContact CD1-CE1 3.86Å; L35-F77 HydrophobicContact CD1-CE2 4.46Å; L35-F77 HydrophobicContact CD1-CZ 3.97Å; L35-L93 WeakPolarHBondContact O-CD2 3.37Å; L35-L97 HydrophobicContact CD1-CD1 4.29Å
36N92.9Very high96.3Very high96 Ų9631.2 Ų31.251%0.51318%0.176SC..THydrogen-bonded Turntrans55.640.6-168.5-169.945.6000112.9C32 S33 L321C32-N36 PolarHBondContact O-N 2.96Å; S33-N36 PolarHBondContact O-N 3.43Å; S33-N36 VanDerWaalsContact O-N 3.1Å; N36-L321 WeakPolarHBondContact ND2-CD1 3.35Å
37L93.8Very high96.2Very high13 Ų1330.1 Ų30.17%0.06817%0.165CC..  trans-87.8114.9-171.5-176.165.1000112.7C32 L35 K40 F43 F77 L93 L97C32-L37 HydrophobicContact CB-CB 4.31Å; C32-L37 PolarHBondContact O-N 3.08Å; L35-L37 VanDerWaalsContact C-N 3.26Å; L35-L37 HydrophobicContact CB-CB 4.14Å; L35-L37 PolarHBondContact O-N 2.62Å; L37-K40 HydrophobicContact CD2-CB 4.24Å; L37-K40 HydrophobicContact CG-CB 4.39Å; L37-F43 HydrophobicContact CD1-CE2 4.07Å; L37-F43 HydrophobicContact CD2-CD2 3.54Å; L37-F43 HydrophobicContact CD2-CE2 3.71Å; L37-F43 HydrophobicContact CD2-CG 4.17Å; L37-F43 HydrophobicContact CD2-CZ 4.47Å; L37-F43 HydrophobicContact CG-CE2 4.4Å; L37-F77 HydrophobicContact CD2-CE1 4.37Å; L37-F77 HydrophobicContact CD2-CZ 3.71Å; L37-L93 HydrophobicContact CD1-CD2 4.2Å; L37-L93 HydrophobicContact CD1-CG 4.37Å; L37-L97 HydrophobicContact CD1-CD1 3.89Å; L37-L97 HydrophobicContact CD2-CD1 4.31Å
38A91.6Very high96Very high34 Ų3433 Ų3328%0.28119%0.185SC..SBendtrans-81.9-39179.900000114K40 E91 R304 L318A38-K40 VanDerWaalsContact C-N 3.27Å; A38-K40 PolarHBondContact O-N 3.25Å; A38-E91 HydrophobicContact CB-CG 4.27Å; A38-R304 PolarHBondContact O-NH2 3.39Å; A38-L318 HydrophobicContact CB-CD2 3.63Å
39E94.4Very high95.4Very high6 Ų633.5 Ų33.53%0.02819%0.189CC..  trans-93.647.9-179.7-58.1175.8114.200111.1E41 Y42 R90 E91 T94E39-E41 PolarHBondContact O-N 2.75Å; E39-E41 VanDerWaalsContact O-N 3.15Å; E39-Y42 HydrophobicContact CB-CD2 3.93Å; E39-Y42 HydrophobicContact CB-CE2 4.15Å; E39-Y42 PolarHBondContact O-N 3.02Å; E39-R90 WeakPolarHBondContact OE1-CB 3.27Å; E39-R90 PolarHBondContact OE1-N 3.11Å; E39-R90 PolarHBondContact OE2-N 3.07Å; E39-E91 HydrophobicContact CG-CG 4.15Å; E39-E91 WeakPolarHBondContact OE2-CB 3.23Å; E39-E91 PolarHBondContact OE2-N 2.76Å; E39-T94 HydrophobicContact CB-CG2 4.23Å; E39-T94 WeakPolarHBondContact OE2-CB 3.27Å; E39-T94 PolarHBondContact OE2-OG1 3.34Å
40K95.9Very high94.7Very high60 Ų6038 Ų3826%0.26121%0.209SC..G310 helixtrans-60.8-25.8-172.461.7-178.9179-176.80114.5F28 N29 C32 L37 A38 Y42 F43F28-K40 HydrophobicContact CE1-CB 4.42Å; F28-K40 HydrophobicContact CZ-CB 4.48Å; F28-K40 WeakPolarHBondContact CZ-O 3.29Å; N29-K40 PolarHBondContact OD1-NZ 2.73Å; C32-K40 HydrophobicContact CB-CB 4.04Å; C32-K40 HydrophobicContact CB-CD 4.36Å; C32-K40 VanDerWaalsContact SG-CB 3.55Å; L37-K40 HydrophobicContact CD2-CB 4.24Å; L37-K40 HydrophobicContact CG-CB 4.39Å; A38-K40 VanDerWaalsContact C-N 3.27Å; A38-K40 PolarHBondContact O-N 3.25Å; K40-Y42 PolarHBondContact O-N 3.39Å; K40-F43 PolarHBondContact O-N 3.17Å
41E96.2Very high93.9Very high15 Ų1538.1 Ų38.17%0.0722%0.215CC..G310 helixtrans-61.4-25.5-174.7-72.375.9-17500113.1E39 F43 F81 F277 R304 L309E39-E41 PolarHBondContact O-N 2.75Å; E39-E41 VanDerWaalsContact O-N 3.15Å; E41-F43 PolarHBondContact O-N 3.12Å; E41-F81 WeakPolarHBondContact O-CD2 3.38Å; E41-F81 WeakPolarHBondContact O-CE2 3.4Å; E41-F277 HydrophobicContact CB-CE2 3.92Å; E41-R304 HydrophobicContact CG-CB 4.05Å; E41-R304 IonicContact OE1-CZ 3.39Å; E41-R304 IonicContact OE1-NE 2.93Å; E41-R304 PolarHBondContact OE1-NE 3.26Å; E41-R304 IonicContact OE1-NH2 2.75Å; E41-R304 PolarHBondContact OE1-NH2 3.12Å; E41-R304 IonicContact OE2-CZ 2.63Å; E41-R304 IonicContact OE2-NE 3.6Å; E41-R304 IonicContact OE2-NH2 3.4Å; E41-R304 PolarHBondContact OE2-NH2 3.16Å; E41-L309 HydrophobicContact CB-CD1 4.1Å
42Y97.4Very high93.2Very high1 Ų140.7 Ų40.70%0.00424%0.242CC..G310 helixtrans-67.4-12.9175-69.8-68.3000114.1E39 K40 K80 F81 P83 L89 T94 F98 F277 L309E39-Y42 HydrophobicContact CB-CD2 3.93Å; E39-Y42 HydrophobicContact CB-CE2 4.15Å; E39-Y42 PolarHBondContact O-N 3.02Å; K40-Y42 PolarHBondContact O-N 3.39Å; Y42-K80 PolarHBondContact O-N 2.75Å; Y42-F81 HydrophobicContact CD1-CB 4.3Å; Y42-F81 WeakPolarHBondContact CD1-O 3.34Å; Y42-F81 PolarHBondContact O-N 3.26Å; Y42-P83 HydrophobicContact CE1-CB 4.22Å; Y42-P83 HydrophobicContact CE1-CG 4.02Å; Y42-L89 HydrophobicContact CD1-CD2 4.37Å; Y42-L89 HydrophobicContact CD2-CD2 3.9Å; Y42-L89 HydrophobicContact CE1-CD2 4.15Å; Y42-L89 HydrophobicContact CE2-CD2 3.66Å; Y42-L89 HydrophobicContact CG-CD2 4.26Å; Y42-T94 HydrophobicContact CD2-CG2 4.34Å; Y42-F98 HydrophobicContact CD1-CZ 4.15Å; Y42-F98 HydrophobicContact CG-CE2 4.2Å; Y42-F98 HydrophobicContact CG-CZ 4.12Å; Y42-F277 HydrophobicContact CD1-CE1 4.1Å; Y42-F277 AromaticContact CD1-CZ 3.81Å; Y42-F277 HydrophobicContact CD1-CZ 3.81Å; Y42-F277 AromaticContact CE1-CE1 3.86Å; Y42-F277 HydrophobicContact CE1-CE1 3.86Å; Y42-F277 AromaticContact CE1-CZ 3.57Å; Y42-F277 HydrophobicContact CE1-CZ 3.57Å; Y42-L309 HydrophobicContact CD2-CD1 4.42Å; Y42-L309 HydrophobicContact CE2-CD1 3.82Å
43F98.3Very high92.7Very high6 Ų644.7 Ų44.73%0.02626%0.263CS..EExtended strand (participates in β ladder)trans-115.6165.9-170.5-57.3-92.7000112.5L9 F28 L37 K40 E41 F77 M78 V79 T94 L97 F98L9-F43 HydrophobicContact CD1-CD1 4.2Å; L9-F43 HydrophobicContact CD1-CE1 3.88Å; F28-F43 HydrophobicContact CE2-CB 4.29Å; F28-F43 HydrophobicContact CZ-CB 4.31Å; F28-F43 VanDerWaalsContact CZ-O 3.25Å; F28-F43 WeakPolarHBondContact CZ-O 3.48Å; L37-F43 HydrophobicContact CD1-CE2 4.07Å; L37-F43 HydrophobicContact CD2-CD2 3.54Å; L37-F43 HydrophobicContact CD2-CE2 3.71Å; L37-F43 HydrophobicContact CD2-CG 4.17Å; L37-F43 HydrophobicContact CD2-CZ 4.47Å; L37-F43 HydrophobicContact CG-CE2 4.4Å; K40-F43 PolarHBondContact O-N 3.17Å; E41-F43 PolarHBondContact O-N 3.12Å; F43-F77 HydrophobicContact CB-CE1 3.72Å; F43-F77 HydrophobicContact CB-CE2 4.06Å; F43-F77 HydrophobicContact CB-CZ 3.4Å; F43-F77 HydrophobicContact CD1-CD1 4.16Å; F43-F77 AromaticContact CD1-CE1 3.33Å; F43-F77 HydrophobicContact CD1-CE1 3.33Å; F43-F77 AromaticContact CD1-CZ 3.88Å; F43-F77 HydrophobicContact CD1-CZ 3.88Å; F43-F77 HydrophobicContact CD2-CE1 4.47Å; F43-F77 HydrophobicContact CD2-CZ 4.3Å; F43-F77 HydrophobicContact CE1-CE1 4.03Å; F43-F77 AromaticContact CG-CE1 3.58Å; F43-F77 HydrophobicContact CG-CE1 3.58Å; F43-F77 AromaticContact CG-CZ 3.6Å; F43-F77 HydrophobicContact CG-CZ 3.6Å; F43-M78 CarbonylContact C-O 3.52Å; F43-M78 WeakPolarHBondContact CA-O 3.5Å; F43-V79 HydrophobicContact CD1-CG2 4Å; F43-V79 HydrophobicContact CE1-CG2 3.67Å; F43-T94 HydrophobicContact CE2-CG2 4.03Å; F43-T94 HydrophobicContact CZ-CG2 4.14Å; F43-L97 HydrophobicContact CE1-CB 3.7Å; F43-L97 HydrophobicContact CE1-CD1 4.02Å; F43-L97 HydrophobicContact CE1-CG 4.49Å; F43-L97 HydrophobicContact CE2-CD1 4.44Å; F43-L97 HydrophobicContact CZ-CB 3.71Å; F43-L97 HydrophobicContact CZ-CD1 3.78Å; F43-L97 HydrophobicContact CZ-CG 4.42Å; F43-F98 HydrophobicContact CE1-CD2 4.4Å; F43-F98 HydrophobicContact CE1-CE2 4.39Å; F43-F98 HydrophobicContact CE2-CE2 4.34Å; F43-F98 AromaticContact CZ-CD2 3.97Å; F43-F98 HydrophobicContact CZ-CD2 3.97Å; F43-F98 AromaticContact CZ-CE2 3.89Å; F43-F98 HydrophobicContact CZ-CE2 3.89Å
44G98.1Very high92.4Very high6 Ų644.3 Ų44.36%0.06225%0.254CS..EExtended strand (participates in β ladder)trans-154.1173.6173.900000112.2M78G44-M78 PolarHBondContact N-O 3.03Å; G44-M78 PolarHBondContact O-N 2.86Å
45L98.3Very high92.3Very high4 Ų442.2 Ų42.22%0.02125%0.247CC..EExtended strand (participates in β ladder)trans-104.8124.7169.9-68.6169.9000109.4V6 L27 F28 L57 F75 K76 F77V6-L45 HydrophobicContact CG1-CD2 3.81Å; V6-L45 HydrophobicContact CG2-CD2 4.44Å; L27-L45 HydrophobicContact CB-CD1 4.45Å; L27-L45 HydrophobicContact CD2-CD1 3.85Å; L27-L45 HydrophobicContact CG-CD1 3.8Å; F28-L45 HydrophobicContact CB-CD1 4.19Å; F28-L45 HydrophobicContact CD2-CD1 4.33Å; F28-L45 HydrophobicContact CD2-CG 4.06Å; L45-L57 HydrophobicContact CB-CB 4.06Å; L45-L57 HydrophobicContact CB-CD2 4.14Å; L45-L57 HydrophobicContact CD1-CD2 3.92Å; L45-L57 WeakPolarHBondContact O-CB 3.41Å; L45-L57 PolarHBondContact O-N 3.34Å; L45-F75 HydrophobicContact CD2-CB 4.26Å; L45-K76 CarbonylContact C-O 3.54Å; L45-K76 WeakPolarHBondContact CA-O 3.29Å; L45-F77 HydrophobicContact CD2-CB 4.06Å; L45-F77 HydrophobicContact CD2-CD2 4.04Å
46E96.8Very high92.4Very high31 Ų3142.9 Ų42.915%0.14525%0.247CC..EExtended strand (participates in β ladder)trans-106.4146.6173.4-172.2178-119.500109.5N54 V55 W56 F75 K76 M78E46-N54 VanDerWaalsContact CD-CB 3.48Å; E46-N54 HydrophobicContact CG-CB 3.9Å; E46-N54 VanDerWaalsContact OE1-CB 3.31Å; E46-N54 WeakPolarHBondContact OE1-CB 3.44Å; E46-V55 WeakPolarHBondContact CA-O 3.28Å; E46-W56 HydrophobicContact CB-CE3 4.14Å; E46-W56 HydrophobicContact CB-CZ3 4.19Å; E46-F75 CarbonylContact O-C 3.57Å; E46-F75 WeakPolarHBondContact O-CA 3.39Å; E46-K76 PolarHBondContact N-O 2.86Å; E46-K76 PolarHBondContact O-N 2.85Å; E46-M78 HydrophobicContact CB-CG 4.34Å
47F95.7Very high92.6Very high11 Ų1138.6 Ų38.65%0.04822%0.224CC..EExtended strand (participates in β ladder)trans-140.8154.5170.867.3-81.7000110.8S49 V55 L57 V67 I73 F75F47-S49 PolarHBondContact O-N 3.38Å; F47-V55 VanDerWaalsContact CD1-O 3.29Å; F47-V55 WeakPolarHBondContact CD1-O 3.5Å; F47-V55 HydrophobicContact CE1-CB 4.31Å; F47-V55 HydrophobicContact CE1-CG1 4.37Å; F47-V55 HydrophobicContact CZ-CB 4.21Å; F47-V55 HydrophobicContact CZ-CG1 4.31Å; F47-V55 PolarHBondContact N-O 2.98Å; F47-V55 PolarHBondContact O-N 3.49Å; F47-L57 HydrophobicContact CD1-CB 4.43Å; F47-L57 HydrophobicContact CE1-CB 4.47Å; F47-L57 HydrophobicContact CE1-CD1 4.38Å; F47-V67 HydrophobicContact CD1-CG2 4.33Å; F47-V67 HydrophobicContact CD2-CG1 4.33Å; F47-V67 HydrophobicContact CD2-CG2 4.18Å; F47-V67 HydrophobicContact CE1-CG2 3.95Å; F47-V67 HydrophobicContact CE2-CB 4.46Å; F47-V67 HydrophobicContact CE2-CG1 4.31Å; F47-V67 HydrophobicContact CE2-CG2 3.79Å; F47-V67 HydrophobicContact CG-CG2 4.45Å; F47-V67 HydrophobicContact CZ-CG2 3.67Å; F47-I73 HydrophobicContact CB-CG2 3.62Å; F47-I73 HydrophobicContact CD2-CG2 4.26Å; F47-I73 HydrophobicContact CG-CG2 4.26Å; F47-F75 HydrophobicContact CB-CD1 3.92Å; F47-F75 HydrophobicContact CB-CE1 4.13Å; F47-F75 HydrophobicContact CD1-CD1 4.26Å; F47-F75 HydrophobicContact CD1-CE1 4.05Å; F47-F75 HydrophobicContact CG-CD1 4.34Å; F47-F75 HydrophobicContact CG-CE1 4.15Å
48C92.4Very high92.7Very high61 Ų6139 Ų3941%0.41223%0.225SC..EExtended strand (participates in β ladder)trans-77.3120.3172.6-1700000109.3
49S87.1Confident92.9Very high20 Ų2039 Ų3914%0.1422%0.22CC..  trans-70.2162173.5670000111.2F47 S51 G52 N53F47-S49 PolarHBondContact O-N 3.38Å; S49-S51 PolarHBondContact O-N 2.65Å; S49-G52 PolarHBondContact O-N 3.31Å; S49-N53 WeakPolarHBondContact CB-O 3.46Å; S49-N53 PolarHBondContact N-O 2.9Å; S49-N53 PolarHBondContact OG-N 2.84Å; S49-N53 PolarHBondContact OG-O 3.12Å
50H82.6Confident92.8Very high144 Ų14442.1 Ų42.167%0.66724%0.237SC*.THydrogen-bonded Turntrans-55.8-18.4173.468.4-76.4000114.5G52H50-G52 VanDerWaalsContact C-N 3.34Å
51S80.8Confident92.8Very high74 Ų7442.5 Ų42.552%0.51724%0.239SC..THydrogen-bonded Turntrans-92.39176.5-42.20000113S49 N53S49-S51 PolarHBondContact O-N 2.65Å; S51-N53 VanDerWaalsContact C-N 3.25Å; S51-N53 PolarHBondContact O-N 3.08Å
52G82.9Confident92.8Very high54 Ų5443.5 Ų43.556%0.55725%0.247SC*.SBendtrans78.7-1.2-17800000115.1S49 H50S49-G52 PolarHBondContact O-N 3.31Å; H50-G52 VanDerWaalsContact C-N 3.34Å
53N85.6Confident92.7Very high88 Ų8843.5 Ų43.547%0.47125%0.247SC..  trans-87.3139.1-179.4-61-62.6000111.1S49 S51S49-N53 WeakPolarHBondContact CB-O 3.46Å; S49-N53 PolarHBondContact N-O 2.9Å; S49-N53 PolarHBondContact OG-N 2.84Å; S49-N53 PolarHBondContact OG-O 3.12Å; S51-N53 VanDerWaalsContact C-N 3.25Å; S51-N53 PolarHBondContact O-N 3.08Å
54N90.2Very high92.5Very high84 Ų8445.9 Ų45.945%0.44926%0.262SS..EExtended strand (participates in β ladder)trans-73.5130.5169.9-66-37.6000110.9E46E46-N54 VanDerWaalsContact CD-CB 3.48Å; E46-N54 HydrophobicContact CG-CB 3.9Å; E46-N54 VanDerWaalsContact OE1-CB 3.31Å; E46-N54 WeakPolarHBondContact OE1-CB 3.44Å
55V92.9Very high92.3Very high43 Ų4353.9 Ų53.926%0.26130%0.295SS..EExtended strand (participates in β ladder)trans-135.5134.8-175.5-177.80000110E46 F47E46-V55 WeakPolarHBondContact CA-O 3.28Å; F47-V55 VanDerWaalsContact CD1-O 3.29Å; F47-V55 WeakPolarHBondContact CD1-O 3.5Å; F47-V55 HydrophobicContact CE1-CB 4.31Å; F47-V55 HydrophobicContact CE1-CG1 4.37Å; F47-V55 HydrophobicContact CZ-CB 4.21Å; F47-V55 HydrophobicContact CZ-CG1 4.31Å; F47-V55 PolarHBondContact N-O 2.98Å; F47-V55 PolarHBondContact O-N 3.49Å
56W96.3Very high92.1Very high50 Ų5055.6 Ų55.619%0.18930%0.303CS..EExtended strand (participates in β ladder)trans-69.7133.6171.6-65106.6000111.8E46 E58 M78 K80E46-W56 HydrophobicContact CB-CE3 4.14Å; E46-W56 HydrophobicContact CB-CZ3 4.19Å; W56-E58 PolarHBondContact O-N 3.34Å; W56-M78 HydrophobicContact CH2-CB 3.86Å; W56-M78 HydrophobicContact CZ3-CB 4.1Å; W56-K80 HydrophobicContact CD2-CD 4.16Å; W56-K80 HydrophobicContact CD2-CG 4.37Å; W56-K80 HydrophobicContact CE3-CD 4.12Å; W56-K80 HydrophobicContact CE3-CG 4.43Å; W56-K80 HydrophobicContact CH2-CB 3.75Å; W56-K80 HydrophobicContact CH2-CG 4.01Å; W56-K80 HydrophobicContact CZ2-CB 4.14Å; W56-K80 HydrophobicContact CZ2-CG 3.94Å; W56-K80 HydrophobicContact CZ3-CB 4.04Å; W56-K80 HydrophobicContact CZ3-CD 4.32Å; W56-K80 HydrophobicContact CZ3-CG 4.26Å
57L96.9Very high91.9Very high5 Ų554.4 Ų54.43%0.02630%0.298CS..PPolyproline II helixtrans-66.7120.4171.9-176.865.3000110L27 L45 F47 L59 I63 V67 F75L27-L57 HydrophobicContact CD2-CD2 4.16Å; L45-L57 HydrophobicContact CB-CB 4.06Å; L45-L57 HydrophobicContact CB-CD2 4.14Å; L45-L57 HydrophobicContact CD1-CD2 3.92Å; L45-L57 WeakPolarHBondContact O-CB 3.41Å; L45-L57 PolarHBondContact O-N 3.34Å; F47-L57 HydrophobicContact CD1-CB 4.43Å; F47-L57 HydrophobicContact CE1-CB 4.47Å; F47-L57 HydrophobicContact CE1-CD1 4.38Å; L57-L59 PolarHBondContact O-N 2.91Å; L57-I63 HydrophobicContact CD1-CG1 4.46Å; L57-V67 HydrophobicContact CD1-CG2 4.39Å; L57-F75 HydrophobicContact CD1-CE1 4.2Å; L57-F75 HydrophobicContact CD2-CD1 4.35Å; L57-F75 HydrophobicContact CD2-CE1 4.32Å
58E96.1Very high91.7Very high21 Ų2160.9 Ų60.910%0.09833%0.326CS..PPolyproline II helixtrans-74.9123.6176.9-53.5178.7-14500110.1W56 L60 K61 Q66 K269 F299W56-E58 PolarHBondContact O-N 3.34Å; E58-L60 PolarHBondContact O-N 3.05Å; E58-K61 HydrophobicContact CB-CB 4.33Å; E58-K61 HydrophobicContact CB-CD 4.49Å; E58-K61 PolarHBondContact O-N 3.11Å; E58-K61 IonicContact OE1-NZ 2.63Å; E58-K61 PolarHBondContact OE1-NZ 3.39Å; E58-K61 WeakPolarHBondContact OE2-CD 3.24Å; E58-K61 WeakPolarHBondContact OE2-CE 3.21Å; E58-K61 IonicContact OE2-NZ 3.42Å; E58-K61 PolarHBondContact OE2-NZ 3.42Å; E58-Q66 PolarHBondContact O-NE2 3.49Å; E58-K269 WeakPolarHBondContact OE1-CE 3.34Å; E58-K269 IonicContact OE1-NZ 2.72Å; E58-K269 PolarHBondContact OE1-NZ 3.34Å; E58-F299 HydrophobicContact CB-CE2 4.41Å; E58-F299 HydrophobicContact CG-CD2 4.42Å; E58-F299 HydrophobicContact CG-CE2 4.05Å; E58-F299 WeakPolarHBondContact OE2-CD2 3.42Å
59L95.7Very high91.6Very high34 Ų3463 Ų6318%0.17833%0.333CS..THydrogen-bonded Turntrans-64.7-39-174-59.7-174.5000112.8S23 G24 K25 F28 L57 K61S23-L59 WeakPolarHBondContact CB-O 3.28Å; G24-L59 PolarHBondContact N-O 3.46Å; K25-L59 HydrophobicContact CB-CB 4.03Å; K25-L59 VanDerWaalsContact CB-O 3.31Å; K25-L59 WeakPolarHBondContact CB-O 3.44Å; K25-L59 PolarHBondContact N-O 3.43Å; F28-L59 HydrophobicContact CB-CD2 3.82Å; F28-L59 HydrophobicContact CD1-CD1 4.43Å; F28-L59 HydrophobicContact CD1-CD2 4.02Å; F28-L59 HydrophobicContact CG-CD2 3.97Å; L57-L59 PolarHBondContact O-N 2.91Å; L59-K61 VanDerWaalsContact C-N 3.34Å; L59-K61 PolarHBondContact O-N 3.39Å
60L93.9Very high91.8Very high73 Ų7362.7 Ų62.738%0.38233%0.331SS..THydrogen-bonded Turntrans-83.7-5.8-173.6-61.1-179000114.3E58 R300E58-L60 PolarHBondContact O-N 3.05Å; L60-R300 HydrophobicContact CD1-CG 3.72Å
61K94.4Very high92.1Very high68 Ų6862.3 Ų62.330%0.29633%0.327SS..SBendtrans-104.8146.9-178.7-75.3-172.9-173.3156.10111.7S23 G24 E58 L59 Q66S23-K61 CarbonylContact C-O 3.59Å; S23-K61 WeakPolarHBondContact CA-O 3.39Å; G24-K61 PolarHBondContact N-O 2.83Å; E58-K61 HydrophobicContact CB-CB 4.33Å; E58-K61 HydrophobicContact CB-CD 4.49Å; E58-K61 PolarHBondContact O-N 3.11Å; E58-K61 IonicContact OE1-NZ 2.63Å; E58-K61 PolarHBondContact OE1-NZ 3.39Å; E58-K61 WeakPolarHBondContact OE2-CD 3.24Å; E58-K61 WeakPolarHBondContact OE2-CE 3.21Å; E58-K61 IonicContact OE2-NZ 3.42Å; E58-K61 PolarHBondContact OE2-NZ 3.42Å; L59-K61 VanDerWaalsContact C-N 3.34Å; L59-K61 PolarHBondContact O-N 3.39Å; K61-Q66 HydrophobicContact CB-CG 3.93Å; K61-Q66 VanDerWaalsContact CB-NE2 3.29Å; K61-Q66 HydrophobicContact CD-CG 4.32Å; K61-Q66 PolarHBondContact O-NE2 3.25Å
62P95.8Very high92.6Very high36 Ų3666.1 Ų66.123%0.23434%0.337CS..BIsolated β-bridgetrans-56.7137.8169.5-25.235000111.8S22 T64 K65 Q66S22-P62 WeakPolarHBondContact O-CA 3.23Å; P62-T64 VanDerWaalsContact C-N 3.31Å; P62-T64 PolarHBondContact O-N 3.1Å; P62-K65 HydrophobicContact CB-CB 4.39Å; P62-K65 HydrophobicContact CB-CD 4.26Å; P62-K65 HydrophobicContact CB-CG 4.1Å; P62-K65 HydrophobicContact CG-CD 4Å; P62-K65 HydrophobicContact CG-CG 4.4Å; P62-K65 PolarHBondContact O-N 2.96Å; P62-K65 VanDerWaalsContact O-N 3.11Å; P62-Q66 WeakPolarHBondContact O-CG 3.19Å; P62-Q66 PolarHBondContact O-NE2 3.27Å
63I96.1Very high93.2Very high1 Ų165.3 Ų65.31%0.00532%0.319CS..G310 helixtrans-60.8-43.1-177-62167.8000110.6L4 V18 S22 L27 L57 K65 Q66 V67 P70 F75L4-I63 HydrophobicContact CD1-CD1 3.62Å; L4-I63 HydrophobicContact CD1-CG2 4.23Å; V18-I63 HydrophobicContact CG2-CD1 4.41Å; S22-I63 PolarHBondContact O-N 2.93Å; L27-I63 HydrophobicContact CB-CD1 3.81Å; L27-I63 HydrophobicContact CD2-CD1 4.16Å; L57-I63 HydrophobicContact CD1-CG1 4.46Å; I63-K65 PolarHBondContact O-N 2.76Å; I63-K65 VanDerWaalsContact O-N 3.12Å; I63-Q66 PolarHBondContact O-N 2.99Å; I63-V67 HydrophobicContact CG2-CB 4.49Å; I63-V67 HydrophobicContact CG2-CG2 4.22Å; I63-V67 PolarHBondContact O-N 2.98Å; I63-P70 HydrophobicContact CG2-CB 4.1Å; I63-F75 HydrophobicContact CG2-CZ 4.13Å
64T94.9Very high93.7Very high56 Ų5663.5 Ų63.534%0.34431%0.311SS..G310 helixtrans-62.7-17.3178.448.90000114.4L2 Q20 P62L2-T64 HydrophobicContact CD1-CG2 3.79Å; Q20-T64 HydrophobicContact CG-CG2 4.1Å; Q20-T64 WeakPolarHBondContact O-CG2 3.43Å; Q20-T64 PolarHBondContact O-OG1 3.47Å; P62-T64 VanDerWaalsContact C-N 3.31Å; P62-T64 PolarHBondContact O-N 3.1Å
65K93.9Very high94.1Very high173 Ų17359.5 Ų59.575%0.75229%0.29SS*.G310 helixtrans-90.7-8.3174.8-67.3-171.8179.7-177.70113.5P62 I63P62-K65 HydrophobicContact CB-CB 4.39Å; P62-K65 HydrophobicContact CB-CD 4.26Å; P62-K65 HydrophobicContact CB-CG 4.1Å; P62-K65 HydrophobicContact CG-CD 4Å; P62-K65 HydrophobicContact CG-CG 4.4Å; P62-K65 PolarHBondContact O-N 2.96Å; P62-K65 VanDerWaalsContact O-N 3.11Å; I63-K65 PolarHBondContact O-N 2.76Å; I63-K65 VanDerWaalsContact O-N 3.12Å
66Q92.9Very high94.3Very high41 Ų4161.7 Ų61.719%0.19230%0.296CS..THydrogen-bonded Turntrans-114-34.4-175.1-58.9-17872.700111.9E58 K61 P62 I63E58-Q66 PolarHBondContact O-NE2 3.49Å; K61-Q66 HydrophobicContact CB-CG 3.93Å; K61-Q66 VanDerWaalsContact CB-NE2 3.29Å; K61-Q66 HydrophobicContact CD-CG 4.32Å; K61-Q66 PolarHBondContact O-NE2 3.25Å; P62-Q66 WeakPolarHBondContact O-CG 3.19Å; P62-Q66 PolarHBondContact O-NE2 3.27Å; I63-Q66 PolarHBondContact O-N 2.99Å
67V93.1Very high94.4Very high6 Ų659.4 Ų59.44%0.03629%0.287CS..  trans-119.2122.9-171.1-171.10000109.1F47 L57 I63 P70 I73 F75F47-V67 HydrophobicContact CD1-CG2 4.33Å; F47-V67 HydrophobicContact CD2-CG1 4.33Å; F47-V67 HydrophobicContact CD2-CG2 4.18Å; F47-V67 HydrophobicContact CE1-CG2 3.95Å; F47-V67 HydrophobicContact CE2-CB 4.46Å; F47-V67 HydrophobicContact CE2-CG1 4.31Å; F47-V67 HydrophobicContact CE2-CG2 3.79Å; F47-V67 HydrophobicContact CG-CG2 4.45Å; F47-V67 HydrophobicContact CZ-CG2 3.67Å; L57-V67 HydrophobicContact CD1-CG2 4.39Å; I63-V67 HydrophobicContact CG2-CB 4.49Å; I63-V67 HydrophobicContact CG2-CG2 4.22Å; I63-V67 PolarHBondContact O-N 2.98Å; V67-P70 HydrophobicContact CB-CB 4.15Å; V67-P70 HydrophobicContact CG1-CB 4Å; V67-I73 HydrophobicContact CG1-CB 4.15Å; V67-I73 HydrophobicContact CG1-CG1 3.62Å; V67-I73 HydrophobicContact CG1-CG2 4.31Å; V67-F75 HydrophobicContact CG1-CZ 4.31Å; V67-F75 HydrophobicContact CG2-CE1 3.99Å; V67-F75 HydrophobicContact CG2-CZ 4.04Å
68K90.8Very high94.5Very high146 Ų14660.2 Ų60.264%0.63529%0.291SS*.SBendtrans-74.9135.2168.6-66.4-179.2178177.20108.1
69N90.7Very high94.6Very high106 Ų10659.3 Ų59.357%0.56729%0.287SS*.SBendtrans45.860.5-179.7-60.5-8000113.8K71 E72N69-K71 PolarHBondContact O-N 3Å; N69-E72 PolarHBondContact O-N 3.01Å
70P90.9Very high94.6Very high14 Ų1458.3 Ų58.39%0.09128%0.281CS..THydrogen-bonded Turntrans-61.6-16.8-170.426.6-36.4000114.8L2 L4 I63 V67 E72 I73L2-P70 HydrophobicContact CD1-CG 4.4Å; L2-P70 HydrophobicContact CD2-CG 4.36Å; L4-P70 HydrophobicContact CD2-CB 3.82Å; L4-P70 HydrophobicContact CD2-CG 4.46Å; L4-P70 WeakPolarHBondContact CD2-O 3.42Å; I63-P70 HydrophobicContact CG2-CB 4.1Å; V67-P70 HydrophobicContact CB-CB 4.15Å; V67-P70 HydrophobicContact CG1-CB 4Å; P70-E72 VanDerWaalsContact C-N 3.31Å; P70-I73 PolarHBondContact O-N 3Å
71K90Very high94.8Very high136 Ų13655 Ų5559%0.59126%0.264SS*.THydrogen-bonded Turntrans-70.7-24.9176.2-63.1-177.4-179.7-1780113.2L2 N69L2-K71 HydrophobicContact CD2-CG 4.44Å; N69-K71 PolarHBondContact O-N 3Å
72E91.6Very high94.8Very high153 Ų15352.2 Ų52.272%0.71525%0.252SS*.SBendtrans-91.6-7.9-179.8-66.8169-170.800112.1N69 P70N69-E72 PolarHBondContact O-N 3.01Å; P70-E72 VanDerWaalsContact C-N 3.31Å
73I94.5Very high94.6Very high37 Ų3750.5 Ų50.519%0.1924%0.241CC..  trans-93.5133.9-175.1-62.4-62000110.3F47 V67 P70 F75F47-I73 HydrophobicContact CB-CG2 3.62Å; F47-I73 HydrophobicContact CD2-CG2 4.26Å; F47-I73 HydrophobicContact CG-CG2 4.26Å; V67-I73 HydrophobicContact CG1-CB 4.15Å; V67-I73 HydrophobicContact CG1-CG1 3.62Å; V67-I73 HydrophobicContact CG1-CG2 4.31Å; P70-I73 PolarHBondContact O-N 3Å; I73-F75 HydrophobicContact CB-CE2 4.33Å; I73-F75 HydrophobicContact CG2-CD2 4.38Å; I73-F75 HydrophobicContact CG2-CE1 4.37Å; I73-F75 HydrophobicContact CG2-CE2 4.13Å; I73-F75 HydrophobicContact CG2-CZ 4.13Å
74V96.3Very high94.1Very high51 Ų5154 Ų5431%0.30926%0.262SS..EExtended strand (participates in β ladder)trans-91.2115.9166.6-173.10000108.4K5 Q7K5-V74 HydrophobicContact CD-CG1 4.4Å; K5-V74 HydrophobicContact CD-CG2 3.86Å; K5-V74 HydrophobicContact CG-CG1 4.4Å; Q7-V74 HydrophobicContact CB-CG1 3.8Å
75F98.2Very high93.7Very high0 Ų054.5 Ų54.50%026%0.263CS..EExtended strand (participates in β ladder)trans-84129170.9-63.1-89.5000108.9L4 K5 V6 Q7 L27 L45 E46 F47 L57 I63 V67 I73L4-F75 HydrophobicContact CB-CD2 4.48Å; L4-F75 HydrophobicContact CB-CE2 4.28Å; L4-F75 HydrophobicContact CD1-CE2 4.48Å; L4-F75 HydrophobicContact CD2-CE2 4.25Å; K5-F75 PolarHBondContact O-N 2.79Å; V6-F75 CarbonylContact C-O 3.57Å; V6-F75 VanDerWaalsContact CA-O 3.23Å; V6-F75 WeakPolarHBondContact CA-O 3.1Å; V6-F75 HydrophobicContact CG2-CB 4.2Å; Q7-F75 PolarHBondContact N-O 3.17Å; L27-F75 HydrophobicContact CD2-CD1 4.4Å; L27-F75 HydrophobicContact CD2-CD2 4.13Å; L27-F75 HydrophobicContact CD2-CE2 4.35Å; L27-F75 HydrophobicContact CD2-CG 4.17Å; L45-F75 HydrophobicContact CD2-CB 4.26Å; E46-F75 CarbonylContact O-C 3.57Å; E46-F75 WeakPolarHBondContact O-CA 3.39Å; F47-F75 HydrophobicContact CB-CD1 3.92Å; F47-F75 HydrophobicContact CB-CE1 4.13Å; F47-F75 HydrophobicContact CD1-CD1 4.26Å; F47-F75 HydrophobicContact CD1-CE1 4.05Å; F47-F75 HydrophobicContact CG-CD1 4.34Å; F47-F75 HydrophobicContact CG-CE1 4.15Å; L57-F75 HydrophobicContact CD1-CE1 4.2Å; L57-F75 HydrophobicContact CD2-CD1 4.35Å; L57-F75 HydrophobicContact CD2-CE1 4.32Å; I63-F75 HydrophobicContact CG2-CZ 4.13Å; V67-F75 HydrophobicContact CG1-CZ 4.31Å; V67-F75 HydrophobicContact CG2-CE1 3.99Å; V67-F75 HydrophobicContact CG2-CZ 4.04Å; I73-F75 HydrophobicContact CB-CE2 4.33Å; I73-F75 HydrophobicContact CG2-CD2 4.38Å; I73-F75 HydrophobicContact CG2-CE1 4.37Å; I73-F75 HydrophobicContact CG2-CE2 4.13Å; I73-F75 HydrophobicContact CG2-CZ 4.13Å
76K98.2Very high93.1Very high89 Ų8946.7 Ų46.739%0.38723%0.229SC..EExtended strand (participates in β ladder)trans-99.9121.4179.3-62.9-177.9178.6-178.40109.3L45 E46 M78L45-K76 CarbonylContact C-O 3.54Å; L45-K76 WeakPolarHBondContact CA-O 3.29Å; E46-K76 PolarHBondContact N-O 2.86Å; E46-K76 PolarHBondContact O-N 2.85Å; K76-M78 HydrophobicContact CB-CG 3.93Å; K76-M78 HydrophobicContact CB-SD 4.1Å; K76-M78 PolarHBondContact O-N 2.9Å
77F98.6Very high92.7Very high1 Ų147.4 Ų47.40%0.00425%0.248CC..EExtended strand (participates in β ladder)trans-77.9117.6170.6-170.4-87.2000108.7V6 Q7 F8 L9 F28 L35 L37 F43 L45V6-F77 HydrophobicContact CG1-CB 4.24Å; Q7-F77 PolarHBondContact O-N 3.16Å; F8-F77 HydrophobicContact CD1-CB 3.81Å; F8-F77 HydrophobicContact CD1-CD1 4.27Å; F8-F77 HydrophobicContact CD1-CD2 4.43Å; F8-F77 AromaticContact CD1-CG 3.93Å; F8-F77 HydrophobicContact CD1-CG 3.93Å; F8-F77 HydrophobicContact CE1-CB 4.31Å; F8-F77 HydrophobicContact CE1-CD2 4.3Å; F8-F77 HydrophobicContact CE1-CG 4.26Å; L9-F77 HydrophobicContact CD1-CD1 4.25Å; L9-F77 HydrophobicContact CG-CD1 4.42Å; L9-F77 WeakPolarHBondContact CG-O 3.33Å; F28-F77 HydrophobicContact CD2-CE2 4.34Å; F28-F77 HydrophobicContact CE2-CD2 4.43Å; F28-F77 AromaticContact CE2-CE2 3.79Å; F28-F77 HydrophobicContact CE2-CE2 3.79Å; L35-F77 HydrophobicContact CD1-CD1 4.29Å; L35-F77 HydrophobicContact CD1-CE1 3.86Å; L35-F77 HydrophobicContact CD1-CE2 4.46Å; L35-F77 HydrophobicContact CD1-CZ 3.97Å; L37-F77 HydrophobicContact CD2-CE1 4.37Å; L37-F77 HydrophobicContact CD2-CZ 3.71Å; F43-F77 HydrophobicContact CB-CE1 3.72Å; F43-F77 HydrophobicContact CB-CE2 4.06Å; F43-F77 HydrophobicContact CB-CZ 3.4Å; F43-F77 HydrophobicContact CD1-CD1 4.16Å; F43-F77 AromaticContact CD1-CE1 3.33Å; F43-F77 HydrophobicContact CD1-CE1 3.33Å; F43-F77 AromaticContact CD1-CZ 3.88Å; F43-F77 HydrophobicContact CD1-CZ 3.88Å; F43-F77 HydrophobicContact CD2-CE1 4.47Å; F43-F77 HydrophobicContact CD2-CZ 4.3Å; F43-F77 HydrophobicContact CE1-CE1 4.03Å; F43-F77 AromaticContact CG-CE1 3.58Å; F43-F77 HydrophobicContact CG-CE1 3.58Å; F43-F77 AromaticContact CG-CZ 3.6Å; F43-F77 HydrophobicContact CG-CZ 3.6Å; L45-F77 HydrophobicContact CD2-CB 4.06Å; L45-F77 HydrophobicContact CD2-CD2 4.04Å
78M97.9Very high92.4Very high22 Ų2249.9 Ų49.911%0.10826%0.259CS..EExtended strand (participates in β ladder)trans-136.4155.3-170.1-59.1-61.5-71.100110.7L9 F43 G44 E46 W56 K76 K80L9-M78 HydrophobicContact CD2-SD 4.16Å; F43-M78 CarbonylContact C-O 3.52Å; F43-M78 WeakPolarHBondContact CA-O 3.5Å; G44-M78 PolarHBondContact N-O 3.03Å; G44-M78 PolarHBondContact O-N 2.86Å; E46-M78 HydrophobicContact CB-CG 4.34Å; W56-M78 HydrophobicContact CH2-CB 3.86Å; W56-M78 HydrophobicContact CZ3-CB 4.1Å; K76-M78 HydrophobicContact CB-CG 3.93Å; K76-M78 HydrophobicContact CB-SD 4.1Å; K76-M78 PolarHBondContact O-N 2.9Å; M78-K80 PolarHBondContact O-N 3.24Å
79V97.8Very high92.5Very high2 Ų243 Ų431%0.01223%0.229CC..EExtended strand (participates in β ladder)trans-69.6130167.6179.90000108.6L9 F43 F82 F98 Q101L9-V79 HydrophobicContact CD1-CG2 4.26Å; F43-V79 HydrophobicContact CD1-CG2 4Å; F43-V79 HydrophobicContact CE1-CG2 3.67Å; V79-F82 HydrophobicContact CB-CE1 4.26Å; V79-F82 HydrophobicContact CB-CE2 4.08Å; V79-F82 HydrophobicContact CB-CZ 3.75Å; V79-F82 HydrophobicContact CG1-CD1 4.11Å; V79-F82 HydrophobicContact CG1-CD2 3.97Å; V79-F82 HydrophobicContact CG1-CE1 3.8Å; V79-F82 HydrophobicContact CG1-CE2 3.63Å; V79-F82 HydrophobicContact CG1-CG 4.2Å; V79-F82 HydrophobicContact CG1-CZ 3.55Å; V79-F98 HydrophobicContact CG1-CD1 4.15Å; V79-F98 HydrophobicContact CG1-CE1 3.51Å; V79-F98 HydrophobicContact CG1-CE2 4.01Å; V79-F98 HydrophobicContact CG1-CZ 3.45Å; V79-F98 VanDerWaalsContact CG1-CZ 3.45Å; V79-F98 HydrophobicContact CG2-CD1 4.42Å; V79-F98 HydrophobicContact CG2-CD2 4.1Å; V79-F98 HydrophobicContact CG2-CE2 4.21Å; V79-F98 HydrophobicContact CG2-CG 4.23Å; V79-F98 HydrophobicContact CG2-CZ 4.42Å; V79-Q101 HydrophobicContact CB-CB 4.28Å; V79-Q101 HydrophobicContact CB-CG 3.84Å; V79-Q101 HydrophobicContact CG2-CB 3.57Å; V79-Q101 HydrophobicContact CG2-CG 3.72Å; V79-Q101 VanDerWaalsContact N-OE1 3.1Å
80K96.9Very high92.5Very high13 Ų1342.9 Ų42.96%0.05722%0.221CC..  trans-108.5-41.9-177.7-174.5173.5-176.7173.90112.7Y42 W56 M78 E273 Y274Y42-K80 PolarHBondContact O-N 2.75Å; W56-K80 HydrophobicContact CD2-CD 4.16Å; W56-K80 HydrophobicContact CD2-CG 4.37Å; W56-K80 HydrophobicContact CE3-CD 4.12Å; W56-K80 HydrophobicContact CE3-CG 4.43Å; W56-K80 HydrophobicContact CH2-CB 3.75Å; W56-K80 HydrophobicContact CH2-CG 4.01Å; W56-K80 HydrophobicContact CZ2-CB 4.14Å; W56-K80 HydrophobicContact CZ2-CG 3.94Å; W56-K80 HydrophobicContact CZ3-CB 4.04Å; W56-K80 HydrophobicContact CZ3-CD 4.32Å; W56-K80 HydrophobicContact CZ3-CG 4.26Å; M78-K80 PolarHBondContact O-N 3.24Å; K80-E273 WeakPolarHBondContact CE-OE2 3.31Å; K80-E273 IonicContact NZ-OE1 3.54Å; K80-E273 PolarHBondContact NZ-OE1 3.39Å; K80-E273 IonicContact NZ-OE2 2.91Å; K80-E273 PolarHBondContact NZ-OE2 3.33Å; K80-Y274 PolarHBondContact O-OH 2.83Å
81F96.8Very high92.5Very high3 Ų343.2 Ų43.21%0.01322%0.221CC..  trans-116.8124.2178.6-54.8-72.4000110E41 Y42 F98 E273 Y274 F277 F278 Y301E41-F81 WeakPolarHBondContact O-CD2 3.38Å; E41-F81 WeakPolarHBondContact O-CE2 3.4Å; Y42-F81 HydrophobicContact CD1-CB 4.3Å; Y42-F81 WeakPolarHBondContact CD1-O 3.34Å; Y42-F81 PolarHBondContact O-N 3.26Å; F81-F98 WeakPolarHBondContact O-CZ 3.3Å; F81-E273 HydrophobicContact CE1-CB 4.13Å; F81-E273 HydrophobicContact CZ-CB 3.99Å; F81-Y274 HydrophobicContact CD1-CD1 4.27Å; F81-Y274 AromaticContact CD1-CD2 3.77Å; F81-Y274 HydrophobicContact CD1-CD2 3.77Å; F81-Y274 HydrophobicContact CD1-CE1 4.33Å; F81-Y274 AromaticContact CD1-CE2 3.81Å; F81-Y274 HydrophobicContact CD1-CE2 3.81Å; F81-Y274 HydrophobicContact CD1-CG 4.03Å; F81-Y274 AromaticContact CE1-CD2 3.62Å; F81-Y274 HydrophobicContact CE1-CD2 3.62Å; F81-Y274 AromaticContact CE1-CE2 3.97Å; F81-Y274 HydrophobicContact CE1-CE2 3.97Å; F81-Y274 HydrophobicContact CE1-CG 4.08Å; F81-F277 HydrophobicContact CB-CD1 3.65Å; F81-F277 HydrophobicContact CB-CE1 3.53Å; F81-F277 HydrophobicContact CB-CZ 4.32Å; F81-F277 HydrophobicContact CD1-CB 4.21Å; F81-F277 AromaticContact CD1-CD1 3.87Å; F81-F277 HydrophobicContact CD1-CD1 3.87Å; F81-F277 HydrophobicContact CD1-CG 4.2Å; F81-F277 AromaticContact CD2-CD1 3.93Å; F81-F277 HydrophobicContact CD2-CD1 3.93Å; F81-F277 HydrophobicContact CD2-CD2 4.27Å; F81-F277 HydrophobicContact CD2-CE1 4.17Å; F81-F277 HydrophobicContact CD2-CE2 4.48Å; F81-F277 AromaticContact CD2-CG 3.97Å; F81-F277 HydrophobicContact CD2-CG 3.97Å; F81-F277 HydrophobicContact CD2-CZ 4.43Å; F81-F277 HydrophobicContact CE1-CB 4Å; F81-F277 HydrophobicContact CE1-CD1 4.49Å; F81-F277 HydrophobicContact CE1-CG 4.38Å; F81-F277 HydrophobicContact CE2-CB 4.34Å; F81-F277 HydrophobicContact CE2-CD2 4.39Å; F81-F277 HydrophobicContact CE2-CG 4.17Å; F81-F277 HydrophobicContact CG-CB 4.47Å; F81-F277 AromaticContact CG-CD1 3.55Å; F81-F277 HydrophobicContact CG-CD1 3.55Å; F81-F277 AromaticContact CG-CE1 3.88Å; F81-F277 HydrophobicContact CG-CE1 3.88Å; F81-F277 AromaticContact CG-CG 3.98Å; F81-F277 HydrophobicContact CG-CG 3.98Å; F81-F277 HydrophobicContact CZ-CB 4.05Å; F81-F277 HydrophobicContact CZ-CG 4.35Å; F81-F278 HydrophobicContact CB-CE2 4.01Å; F81-F278 HydrophobicContact CB-CZ 3.9Å; F81-F278 HydrophobicContact CD1-CE2 4.01Å; F81-F278 HydrophobicContact CG-CE2 4.4Å; F81-Y301 HydrophobicContact CE2-CE2 4.11Å; F81-Y301 HydrophobicContact CZ-CD2 4.48Å; F81-Y301 AromaticContact CZ-CE2 4Å; F81-Y301 HydrophobicContact CZ-CE2 4Å
82F94.9Very high92.6Very high10 Ų1039.9 Ų39.94%0.04421%0.208CC..  trans-102.3110.6179.4-69.6-100.8000109.1V79 F98 Q101 Y187 G188 F278V79-F82 HydrophobicContact CB-CE1 4.26Å; V79-F82 HydrophobicContact CB-CE2 4.08Å; V79-F82 HydrophobicContact CB-CZ 3.75Å; V79-F82 HydrophobicContact CG1-CD1 4.11Å; V79-F82 HydrophobicContact CG1-CD2 3.97Å; V79-F82 HydrophobicContact CG1-CE1 3.8Å; V79-F82 HydrophobicContact CG1-CE2 3.63Å; V79-F82 HydrophobicContact CG1-CG 4.2Å; V79-F82 HydrophobicContact CG1-CZ 3.55Å; F82-F98 HydrophobicContact CD1-CD1 4.35Å; F82-F98 HydrophobicContact CD1-CE1 4.01Å; F82-F98 HydrophobicContact CE1-CE1 4.45Å; F82-F98 HydrophobicContact CG-CE1 4.5Å; F82-Q101 HydrophobicContact CE1-CG 4.15Å; F82-Q101 HydrophobicContact CZ-CG 3.86Å; F82-Y187 HydrophobicContact CB-CE1 4.02Å; F82-Y187 HydrophobicContact CD1-CE1 4.23Å; F82-Y187 HydrophobicContact CD1-CE2 4Å; F82-Y187 AromaticContact CD1-CZ 3.79Å; F82-G188 VanDerWaalsContact CD2-CA 3.42Å; F82-F278 WeakPolarHBondContact O-CZ 3.45Å
83P91.1Very high92.8Very high1 Ų133.7 Ų33.71%0.00618%0.18CC..  trans-68.4152.817530.2-33.2000110.7Y42 D85 H88 L89Y42-P83 HydrophobicContact CE1-CB 4.22Å; Y42-P83 HydrophobicContact CE1-CG 4.02Å; P83-D85 VanDerWaalsContact C-N 3.32Å; P83-H88 HydrophobicContact CB-CB 4.36Å; P83-L89 HydrophobicContact CG-CD2 3.85Å; P83-L89 HydrophobicContact CG-CG 4.2Å
84V86.4Confident92.8Very high75 Ų7532 Ų3246%0.45517%0.171SC..SBendtrans-63.3-42.7178.1-165.90000111.6H208V84-H208 HydrophobicContact CG2-CB 4.28Å; V84-H208 WeakPolarHBondContact CG2-CD2 3.31Å; V84-H208 VanDerWaalsContact CG2-CE1 3.5Å; V84-H208 WeakPolarHBondContact CG2-CE1 3.32Å; V84-H208 VanDerWaalsContact CG2-CG 3.43Å; V84-H208 VanDerWaalsContact CG2-NE2 3.27Å; V84-H208 WeakPolarHBondContact CG2-NE2 3.42Å
85D85.9Confident92.8Very high66 Ų6631.8 Ų31.835%0.35316%0.164SC..  trans-113.1116.1-179.8179.67.8000108.4P83 G87 H88P83-D85 VanDerWaalsContact C-N 3.32Å; D85-G87 PolarHBondContact O-N 2.69Å; D85-G87 PolarHBondContact OD1-N 3.16Å; D85-H88 VanDerWaalsContact O-CB 3.32Å; D85-H88 WeakPolarHBondContact O-CB 3.34Å; D85-H88 PolarHBondContact O-N 3.26Å; D85-H88 VanDerWaalsContact O-N 3.07Å; D85-H88 PolarHBondContact O-ND1 3.42Å; D85-H88 VanDerWaalsContact O-ND1 3.15Å
86P81.2Confident92.7Very high8 Ų833.5 Ų33.55%0.05217%0.171CC..G310 helixtrans-64.1-16.617528.7-35.2000112.2H88 L89 L178P86-H88 PolarHBondContact O-N 2.96Å; P86-H88 VanDerWaalsContact O-N 3.17Å; P86-L89 VanDerWaalsContact O-CB 3.26Å; P86-L89 WeakPolarHBondContact O-CB 3.45Å; P86-L89 WeakPolarHBondContact O-CG 3.23Å; P86-L89 PolarHBondContact O-N 3.49Å; P86-L178 HydrophobicContact CB-CB 3.82Å; P86-L178 HydrophobicContact CB-CD1 4.23Å; P86-L178 HydrophobicContact CG-CB 4.1Å
87G84.1Confident92.7Very high57 Ų5729.7 Ų29.759%0.58816%0.155SC*.G310 helixtrans-60.3-18168.800000113.7D85 L89D85-G87 PolarHBondContact O-N 2.69Å; D85-G87 PolarHBondContact OD1-N 3.16Å; G87-L89 PolarHBondContact O-N 2.88Å
88H88.6Confident92.7Very high58 Ų5829.7 Ų29.727%0.26916%0.155SC..G310 helixtrans-71.6-16.5170-65134.5000113.8P83 D85 P86 R90 L310P83-H88 HydrophobicContact CB-CB 4.36Å; D85-H88 VanDerWaalsContact O-CB 3.32Å; D85-H88 WeakPolarHBondContact O-CB 3.34Å; D85-H88 PolarHBondContact O-N 3.26Å; D85-H88 VanDerWaalsContact O-N 3.07Å; D85-H88 PolarHBondContact O-ND1 3.42Å; D85-H88 VanDerWaalsContact O-ND1 3.15Å; P86-H88 PolarHBondContact O-N 2.96Å; P86-H88 VanDerWaalsContact O-N 3.17Å; H88-R90 PolarHBondContact O-N 2.65Å; H88-L310 HydrophobicContact CB-CD2 4.04Å
89L92.4Very high92.6Very high1 Ų128.8 Ų28.81%0.00515%0.151CC..  trans-81.7109.1174.6-54.1179.2000108.1Y42 P83 P86 G87 T94 R95 F98 L178Y42-L89 HydrophobicContact CD1-CD2 4.37Å; Y42-L89 HydrophobicContact CD2-CD2 3.9Å; Y42-L89 HydrophobicContact CE1-CD2 4.15Å; Y42-L89 HydrophobicContact CE2-CD2 3.66Å; Y42-L89 HydrophobicContact CG-CD2 4.26Å; P83-L89 HydrophobicContact CG-CD2 3.85Å; P83-L89 HydrophobicContact CG-CG 4.2Å; P86-L89 VanDerWaalsContact O-CB 3.26Å; P86-L89 WeakPolarHBondContact O-CB 3.45Å; P86-L89 WeakPolarHBondContact O-CG 3.23Å; P86-L89 PolarHBondContact O-N 3.49Å; G87-L89 PolarHBondContact O-N 2.88Å; L89-T94 HydrophobicContact CB-CG2 4.28Å; L89-T94 HydrophobicContact CD1-CG2 4.44Å; L89-T94 HydrophobicContact CD2-CG2 3.83Å; L89-T94 HydrophobicContact CG-CG2 4.41Å; L89-R95 HydrophobicContact CB-CG 3.77Å; L89-R95 HydrophobicContact CD1-CG 4.22Å; L89-R95 PolarHBondContact O-NH1 2.99Å; L89-F98 HydrophobicContact CD1-CB 4.17Å; L89-F98 HydrophobicContact CD1-CD1 3.96Å; L89-F98 HydrophobicContact CD1-CD2 3.72Å; L89-F98 HydrophobicContact CD1-CE1 4.23Å; L89-F98 HydrophobicContact CD1-CE2 3.99Å; L89-F98 HydrophobicContact CD1-CG 3.68Å; L89-F98 HydrophobicContact CD1-CZ 4.23Å; L89-F98 HydrophobicContact CD2-CD2 4.42Å; L89-F98 HydrophobicContact CD2-CE2 3.88Å; L89-F98 HydrophobicContact CD2-CZ 3.99Å; L89-L178 HydrophobicContact CD1-CD1 4.32Å
90R89.6Confident92.6Very high103 Ų10329.2 Ų29.239%0.38915%0.153SC..  trans-84.9-41.2-170.4-58.4-175.171.3-1237.2112E39 H88 R95 G313E39-R90 WeakPolarHBondContact OE1-CB 3.27Å; E39-R90 PolarHBondContact OE1-N 3.11Å; E39-R90 PolarHBondContact OE2-N 3.07Å; H88-R90 PolarHBondContact O-N 2.65Å; R90-R95 VanDerWaalsContact C-NH1 3.28Å; R90-R95 PolarHBondContact O-NH1 3.27Å; R90-G313 VanDerWaalsContact CZ-C 3.5Å; R90-G313 VanDerWaalsContact NH2-C 3.34Å; R90-G313 PolarHBondContact NH2-O 2.87Å
91E91.5Very high92.7Very high21 Ų2128.6 Ų28.610%0.09815%0.15CC..SBendtrans-83.6140.1-176.6-57.9-65.8155.700111.2A38 E39 L93 T94 R95 S320A38-E91 HydrophobicContact CB-CG 4.27Å; E39-E91 HydrophobicContact CG-CG 4.15Å; E39-E91 WeakPolarHBondContact OE2-CB 3.23Å; E39-E91 PolarHBondContact OE2-N 2.76Å; E91-L93 VanDerWaalsContact C-N 3.34Å; E91-L93 PolarHBondContact O-N 3.08Å; E91-T94 WeakPolarHBondContact O-CB 3.31Å; E91-T94 PolarHBondContact O-N 3.24Å; E91-T94 VanDerWaalsContact O-N 3.16Å; E91-R95 PolarHBondContact O-N 2.99Å; E91-S320 VanDerWaalsContact OE2-CB 3.28Å; E91-S320 WeakPolarHBondContact OE2-CB 3.44Å; E91-S320 PolarHBondContact OE2-OG 3.41Å
92E92.9Very high92.7Very high66 Ų6628.4 Ų28.431%0.30815%0.149SC..Hα-helixtrans-62.7-42176.6-170.4-177.7146.700111.9T94 R95 Y96 A171 F323E92-T94 PolarHBondContact O-N 3.39Å; E92-R95 PolarHBondContact O-N 2.99Å; E92-R95 VanDerWaalsContact O-N 3.11Å; E92-Y96 PolarHBondContact O-N 3.12Å; E92-A171 HydrophobicContact CG-CB 4.17Å; E92-F323 HydrophobicContact CB-CD1 4.25Å; E92-F323 HydrophobicContact CG-CD1 3.91Å
93L94.3Very high92.8Very high24 Ų2430.4 Ų30.413%0.12616%0.158CC..Hα-helixtrans-54.7-41.5173.617363.4000111.6L35 L37 E91 Y96 L97 F323L35-L93 WeakPolarHBondContact O-CD2 3.37Å; L37-L93 HydrophobicContact CD1-CD2 4.2Å; L37-L93 HydrophobicContact CD1-CG 4.37Å; E91-L93 VanDerWaalsContact C-N 3.34Å; E91-L93 PolarHBondContact O-N 3.08Å; L93-Y96 HydrophobicContact CD1-CD1 4.43Å; L93-Y96 PolarHBondContact O-N 3.43Å; L93-L97 HydrophobicContact CD1-CD1 4.24Å; L93-L97 HydrophobicContact CD1-CG 4.15Å; L93-L97 HydrophobicContact CG-CD1 4.23Å; L93-L97 VanDerWaalsContact O-CG 3.28Å; L93-L97 WeakPolarHBondContact O-CG 3.4Å; L93-L97 PolarHBondContact O-N 3.11Å; L93-F323 HydrophobicContact CB-CB 4.24Å; L93-F323 HydrophobicContact CB-CD2 3.9Å; L93-F323 HydrophobicContact CB-CE2 4.45Å; L93-F323 HydrophobicContact CB-CG 3.97Å; L93-F323 HydrophobicContact CD1-CD2 3.72Å; L93-F323 HydrophobicContact CD1-CE2 3.54Å; L93-F323 HydrophobicContact CD1-CZ 4.23Å; L93-F323 HydrophobicContact CG-CD2 4.32Å
94T96Very high93.1Very high0 Ų032.2 Ų32.20%017%0.166CC..Hα-helixtrans-64.1-46.5178.6-54.60000110.6E39 Y42 F43 L89 E91 E92 Y96 L97 F98E39-T94 HydrophobicContact CB-CG2 4.23Å; E39-T94 WeakPolarHBondContact OE2-CB 3.27Å; E39-T94 PolarHBondContact OE2-OG1 3.34Å; Y42-T94 HydrophobicContact CD2-CG2 4.34Å; F43-T94 HydrophobicContact CE2-CG2 4.03Å; F43-T94 HydrophobicContact CZ-CG2 4.14Å; L89-T94 HydrophobicContact CB-CG2 4.28Å; L89-T94 HydrophobicContact CD1-CG2 4.44Å; L89-T94 HydrophobicContact CD2-CG2 3.83Å; L89-T94 HydrophobicContact CG-CG2 4.41Å; E91-T94 WeakPolarHBondContact O-CB 3.31Å; E91-T94 PolarHBondContact O-N 3.24Å; E91-T94 VanDerWaalsContact O-N 3.16Å; E92-T94 PolarHBondContact O-N 3.39Å; T94-Y96 VanDerWaalsContact C-N 3.34Å; T94-Y96 PolarHBondContact O-N 2.74Å; T94-L97 PolarHBondContact O-N 3.27Å; T94-F98 HydrophobicContact CG2-CD2 4.07Å; T94-F98 HydrophobicContact CG2-CE2 3.99Å; T94-F98 VanDerWaalsContact O-CD2 3.3Å; T94-F98 WeakPolarHBondContact O-CD2 3.48Å; T94-F98 PolarHBondContact O-N 3.34Å
95R95.9Very high93.6Very high47 Ų4728.7 Ų28.718%0.17714%0.144CC..Hα-helixtrans-59.4-44.5176.3-69.8-173.2-68.3-87.20.2111.7L89 R90 E91 E92 L97 F98 T99 L178L89-R95 HydrophobicContact CB-CG 3.77Å; L89-R95 HydrophobicContact CD1-CG 4.22Å; L89-R95 PolarHBondContact O-NH1 2.99Å; R90-R95 VanDerWaalsContact C-NH1 3.28Å; R90-R95 PolarHBondContact O-NH1 3.27Å; E91-R95 PolarHBondContact O-N 2.99Å; E92-R95 PolarHBondContact O-N 2.99Å; E92-R95 VanDerWaalsContact O-N 3.11Å; R95-L97 PolarHBondContact O-N 3.34Å; R95-F98 CarbonylContact O-C 3.57Å; R95-F98 WeakPolarHBondContact O-CA 3.3Å; R95-F98 WeakPolarHBondContact O-CB 3.38Å; R95-F98 PolarHBondContact O-N 2.78Å; R95-F98 VanDerWaalsContact O-N 3.13Å; R95-T99 PolarHBondContact O-N 3.04Å; R95-T99 PolarHBondContact O-OG1 3.47Å; R95-L178 HydrophobicContact CB-CD1 4.08Å; R95-L178 HydrophobicContact CG-CD1 4.28Å
96Y96.2Very high94.1Very high37 Ų3725.8 Ų25.815%0.14513%0.129CC..Hα-helixtrans-59-45.9175.6171.1-119.5000112.7E92 L93 T94 F98 T99 L100 D174 F323 R325E92-Y96 PolarHBondContact O-N 3.12Å; L93-Y96 HydrophobicContact CD1-CD1 4.43Å; L93-Y96 PolarHBondContact O-N 3.43Å; T94-Y96 VanDerWaalsContact C-N 3.34Å; T94-Y96 PolarHBondContact O-N 2.74Å; Y96-F98 VanDerWaalsContact C-N 3.28Å; Y96-F98 PolarHBondContact O-N 2.84Å; Y96-T99 VanDerWaalsContact O-CB 3.32Å; Y96-T99 WeakPolarHBondContact O-CB 3.43Å; Y96-T99 PolarHBondContact O-N 3.23Å; Y96-T99 VanDerWaalsContact O-N 3.11Å; Y96-L100 HydrophobicContact CD1-CD1 4.38Å; Y96-L100 HydrophobicContact CD2-CG 4.39Å; Y96-L100 HydrophobicContact CE1-CD1 3.76Å; Y96-L100 HydrophobicContact CE1-CG 4.37Å; Y96-L100 HydrophobicContact CE2-CD1 4.17Å; Y96-L100 HydrophobicContact CE2-CD2 3.95Å; Y96-L100 HydrophobicContact CE2-CG 3.92Å; Y96-L100 PolarHBondContact O-N 3.5Å; Y96-D174 WeakPolarHBondContact CA-OD2 3.33Å; Y96-F323 HydrophobicContact CD1-CE1 4.11Å; Y96-F323 HydrophobicContact CD1-CE2 4.16Å; Y96-F323 AromaticContact CD1-CZ 3.4Å; Y96-F323 HydrophobicContact CD1-CZ 3.4Å; Y96-F323 AromaticContact CE1-CZ 3.94Å; Y96-F323 HydrophobicContact CE1-CZ 3.94Å; Y96-F323 HydrophobicContact CG-CE1 4.12Å; Y96-F323 AromaticContact CG-CZ 3.87Å; Y96-F323 HydrophobicContact CG-CZ 3.87Å; Y96-R325 VanDerWaalsContact CD2-NH2 3.28Å; Y96-R325 HydrophobicContact CE2-CG 4.4Å
97L97.4Very high94.8Very high9 Ų927.5 Ų27.55%0.04714%0.143CC..Hα-helixtrans-62.4-36.6176.2-68.8174.2000111.7L9 L35 L37 F43 L93 T94 R95 L100 Q101L9-L97 HydrophobicContact CB-CD2 4.3Å; L9-L97 HydrophobicContact CD1-CB 3.94Å; L9-L97 HydrophobicContact CD1-CD2 4.2Å; L9-L97 WeakPolarHBondContact CD1-O 3.07Å; L35-L97 HydrophobicContact CD1-CD1 4.29Å; L37-L97 HydrophobicContact CD1-CD1 3.89Å; L37-L97 HydrophobicContact CD2-CD1 4.31Å; F43-L97 HydrophobicContact CE1-CB 3.7Å; F43-L97 HydrophobicContact CE1-CD1 4.02Å; F43-L97 HydrophobicContact CE1-CG 4.49Å; F43-L97 HydrophobicContact CE2-CD1 4.44Å; F43-L97 HydrophobicContact CZ-CB 3.71Å; F43-L97 HydrophobicContact CZ-CD1 3.78Å; F43-L97 HydrophobicContact CZ-CG 4.42Å; L93-L97 HydrophobicContact CD1-CD1 4.24Å; L93-L97 HydrophobicContact CD1-CG 4.15Å; L93-L97 HydrophobicContact CG-CD1 4.23Å; L93-L97 VanDerWaalsContact O-CG 3.28Å; L93-L97 WeakPolarHBondContact O-CG 3.4Å; L93-L97 PolarHBondContact O-N 3.11Å; T94-L97 PolarHBondContact O-N 3.27Å; R95-L97 PolarHBondContact O-N 3.34Å; L97-L100 HydrophobicContact CD2-CD1 4.33Å; L97-L100 PolarHBondContact O-N 3.36Å; L97-Q101 PolarHBondContact O-N 2.94Å
98F97.9Very high95.2Very high0 Ų030 Ų300%014%0.143CC..Hα-helixtrans-64.3-42.9171.5-90.1-108.6000111.9Y42 F43 V79 F81 F82 L89 T94 R95 Y96 L100 Q101 I102 L178Y42-F98 HydrophobicContact CD1-CZ 4.15Å; Y42-F98 HydrophobicContact CG-CE2 4.2Å; Y42-F98 HydrophobicContact CG-CZ 4.12Å; F43-F98 HydrophobicContact CE1-CD2 4.4Å; F43-F98 HydrophobicContact CE1-CE2 4.39Å; F43-F98 HydrophobicContact CE2-CE2 4.34Å; F43-F98 AromaticContact CZ-CD2 3.97Å; F43-F98 HydrophobicContact CZ-CD2 3.97Å; F43-F98 AromaticContact CZ-CE2 3.89Å; F43-F98 HydrophobicContact CZ-CE2 3.89Å; V79-F98 HydrophobicContact CG1-CD1 4.15Å; V79-F98 HydrophobicContact CG1-CE1 3.51Å; V79-F98 HydrophobicContact CG1-CE2 4.01Å; V79-F98 HydrophobicContact CG1-CZ 3.45Å; V79-F98 VanDerWaalsContact CG1-CZ 3.45Å; V79-F98 HydrophobicContact CG2-CD1 4.42Å; V79-F98 HydrophobicContact CG2-CD2 4.1Å; V79-F98 HydrophobicContact CG2-CE2 4.21Å; V79-F98 HydrophobicContact CG2-CG 4.23Å; V79-F98 HydrophobicContact CG2-CZ 4.42Å; F81-F98 WeakPolarHBondContact O-CZ 3.3Å; F82-F98 HydrophobicContact CD1-CD1 4.35Å; F82-F98 HydrophobicContact CD1-CE1 4.01Å; F82-F98 HydrophobicContact CE1-CE1 4.45Å; F82-F98 HydrophobicContact CG-CE1 4.5Å; L89-F98 HydrophobicContact CD1-CB 4.17Å; L89-F98 HydrophobicContact CD1-CD1 3.96Å; L89-F98 HydrophobicContact CD1-CD2 3.72Å; L89-F98 HydrophobicContact CD1-CE1 4.23Å; L89-F98 HydrophobicContact CD1-CE2 3.99Å; L89-F98 HydrophobicContact CD1-CG 3.68Å; L89-F98 HydrophobicContact CD1-CZ 4.23Å; L89-F98 HydrophobicContact CD2-CD2 4.42Å; L89-F98 HydrophobicContact CD2-CE2 3.88Å; L89-F98 HydrophobicContact CD2-CZ 3.99Å; T94-F98 HydrophobicContact CG2-CD2 4.07Å; T94-F98 HydrophobicContact CG2-CE2 3.99Å; T94-F98 VanDerWaalsContact O-CD2 3.3Å; T94-F98 WeakPolarHBondContact O-CD2 3.48Å; T94-F98 PolarHBondContact O-N 3.34Å; R95-F98 CarbonylContact O-C 3.57Å; R95-F98 WeakPolarHBondContact O-CA 3.3Å; R95-F98 WeakPolarHBondContact O-CB 3.38Å; R95-F98 PolarHBondContact O-N 2.78Å; R95-F98 VanDerWaalsContact O-N 3.13Å; Y96-F98 VanDerWaalsContact C-N 3.28Å; Y96-F98 PolarHBondContact O-N 2.84Å; F98-L100 VanDerWaalsContact C-N 3.3Å; F98-L100 PolarHBondContact O-N 3.02Å; F98-Q101 WeakPolarHBondContact O-CA 3.31Å; F98-Q101 WeakPolarHBondContact O-CB 3.45Å; F98-Q101 PolarHBondContact O-N 2.84Å; F98-I102 WeakPolarHBondContact O-CG1 3.44Å; F98-I102 PolarHBondContact O-N 3.31Å; F98-L178 HydrophobicContact CB-CD1 4.14Å; F98-L178 HydrophobicContact CB-CD2 3.81Å
99T97.4Very high95.5Very high4 Ų429.4 Ų29.43%0.02515%0.152CC..Hα-helixtrans-54.6-45.5172.4-69.10000111.5R95 Y96 Q101 I102 K103 D174 L177R95-T99 PolarHBondContact O-N 3.04Å; R95-T99 PolarHBondContact O-OG1 3.47Å; Y96-T99 VanDerWaalsContact O-CB 3.32Å; Y96-T99 WeakPolarHBondContact O-CB 3.43Å; Y96-T99 PolarHBondContact O-N 3.23Å; Y96-T99 VanDerWaalsContact O-N 3.11Å; T99-Q101 VanDerWaalsContact C-N 3.31Å; T99-Q101 PolarHBondContact O-N 2.89Å; T99-I102 PolarHBondContact O-N 3.41Å; T99-I102 VanDerWaalsContact O-N 3.14Å; T99-K103 PolarHBondContact O-N 2.93Å; T99-D174 WeakPolarHBondContact CG2-OD1 3.36Å; T99-D174 WeakPolarHBondContact OG1-CB 3.46Å; T99-D174 VanDerWaalsContact OG1-CG 3.3Å; T99-D174 PolarHBondContact OG1-OD1 3.14Å; T99-D174 VanDerWaalsContact OG1-OD1 3.1Å; T99-L177 HydrophobicContact CG2-CD2 3.4Å; T99-L177 VanDerWaalsContact CG2-CD2 3.4Å
100L97.5Very high95.5Very high10 Ų1034 Ų345%0.05217%0.169CC..Hα-helixtrans-62.4-37.1176.2-66.6179.1000112.6L9 D10 Y96 L97 F98 K103 K104L9-L100 HydrophobicContact CB-CB 3.89Å; L9-L100 HydrophobicContact CB-CD1 3.99Å; D10-L100 HydrophobicContact CB-CD1 3.94Å; Y96-L100 HydrophobicContact CD1-CD1 4.38Å; Y96-L100 HydrophobicContact CD2-CG 4.39Å; Y96-L100 HydrophobicContact CE1-CD1 3.76Å; Y96-L100 HydrophobicContact CE1-CG 4.37Å; Y96-L100 HydrophobicContact CE2-CD1 4.17Å; Y96-L100 HydrophobicContact CE2-CD2 3.95Å; Y96-L100 HydrophobicContact CE2-CG 3.92Å; Y96-L100 PolarHBondContact O-N 3.5Å; L97-L100 HydrophobicContact CD2-CD1 4.33Å; L97-L100 PolarHBondContact O-N 3.36Å; F98-L100 VanDerWaalsContact C-N 3.3Å; F98-L100 PolarHBondContact O-N 3.02Å; L100-K103 PolarHBondContact O-N 2.79Å; L100-K104 WeakPolarHBondContact O-CG 3.36Å; L100-K104 PolarHBondContact O-N 2.88Å
101Q97.9Very high95.7Very high0 Ų029.3 Ų29.30%015%0.152CC..Hα-helixtrans-64.2-41.4173.5-179.468.269.700112L9 V79 F82 L97 F98 T99 K104 D105L9-Q101 HydrophobicContact CD2-CB 4.2Å; V79-Q101 HydrophobicContact CB-CB 4.28Å; V79-Q101 HydrophobicContact CB-CG 3.84Å; V79-Q101 HydrophobicContact CG2-CB 3.57Å; V79-Q101 HydrophobicContact CG2-CG 3.72Å; V79-Q101 VanDerWaalsContact N-OE1 3.1Å; F82-Q101 HydrophobicContact CE1-CG 4.15Å; F82-Q101 HydrophobicContact CZ-CG 3.86Å; L97-Q101 PolarHBondContact O-N 2.94Å; F98-Q101 WeakPolarHBondContact O-CA 3.31Å; F98-Q101 WeakPolarHBondContact O-CB 3.45Å; F98-Q101 PolarHBondContact O-N 2.84Å; T99-Q101 VanDerWaalsContact C-N 3.31Å; T99-Q101 PolarHBondContact O-N 2.89Å; Q101-K104 PolarHBondContact O-N 3.47Å; Q101-D105 PolarHBondContact NE2-OD1 3.06Å; Q101-D105 PolarHBondContact O-N 3.39Å
102I97.8Very high95.7Very high0 Ų031.1 Ų31.10%017%0.166CC..Hα-helixtrans-66.3-43.1176.5-62.9-52.8000111.1F98 T99 K104 D105 L106 L111 M121 L177 L178 A181 Y187F98-I102 WeakPolarHBondContact O-CG1 3.44Å; F98-I102 PolarHBondContact O-N 3.31Å; T99-I102 PolarHBondContact O-N 3.41Å; T99-I102 VanDerWaalsContact O-N 3.14Å; I102-K104 VanDerWaalsContact C-N 3.29Å; I102-K104 PolarHBondContact O-N 2.87Å; I102-D105 PolarHBondContact O-N 2.94Å; I102-D105 VanDerWaalsContact O-N 3.12Å; I102-L106 HydrophobicContact CG2-CD1 4.35Å; I102-L106 HydrophobicContact CG2-CG 4.49Å; I102-L106 WeakPolarHBondContact O-CG 3.33Å; I102-L106 PolarHBondContact O-N 3.22Å; I102-L111 HydrophobicContact CD1-CD1 4.03Å; I102-L111 HydrophobicContact CG2-CD1 3.94Å; I102-M121 HydrophobicContact CG2-CE 3.39Å; I102-L177 HydrophobicContact CG2-CD1 4.29Å; I102-L177 HydrophobicContact CG2-CD2 4.41Å; I102-L177 HydrophobicContact CG2-CG 4.38Å; I102-L178 HydrophobicContact CG1-CD2 4.02Å; I102-A181 HydrophobicContact CD1-CB 4.15Å; I102-A181 HydrophobicContact CG1-CB 4.19Å; I102-A181 HydrophobicContact CG2-CB 4.16Å; I102-Y187 HydrophobicContact CD1-CD2 3.93Å; I102-Y187 HydrophobicContact CD1-CE2 3.76Å
103K97.3Very high95.7Very high52 Ų5229.8 Ų29.823%0.22616%0.163CC..Hα-helixtrans-53.5-46.7171.7178.3178.3174.7172.60111.4T99 L100 L106 A107 I125 E129 Y147T99-K103 PolarHBondContact O-N 2.93Å; L100-K103 PolarHBondContact O-N 2.79Å; K103-L106 PolarHBondContact O-N 3.3Å; K103-A107 PolarHBondContact O-N 3.13Å; K103-A107 VanDerWaalsContact O-N 3.1Å; K103-I125 HydrophobicContact CB-CD1 3.95Å; K103-I125 HydrophobicContact CD-CG2 4.1Å; K103-I125 HydrophobicContact CG-CD1 4.23Å; K103-E129 IonicContact NZ-OE1 2.73Å; K103-E129 PolarHBondContact NZ-OE1 3.48Å; K103-E129 IonicContact NZ-OE2 2.87Å; K103-E129 PolarHBondContact NZ-OE2 3.41Å; K103-Y147 HydrophobicContact CD-CD1 4.33Å; K103-Y147 HydrophobicContact CD-CE1 4.08Å; K103-Y147 VanDerWaalsContact CE-CE1 3.41Å; K103-Y147 HydrophobicContact CG-CD1 4.17Å; K103-Y147 HydrophobicContact CG-CE1 4.43Å
104K96.3Very high95.8Very high39 Ų3932.2 Ų32.217%0.1718%0.182CC..Hα-helixtrans-63.4-42.2175.9-77.9179.9166.2176.30112.7F8 L9 D11 L100 Q101 I102 A107 L108F8-K104 PolarHBondContact O-NZ 3.31Å; F8-K104 VanDerWaalsContact O-NZ 3.11Å; L9-K104 HydrophobicContact CD2-CD 4.28Å; L9-K104 WeakPolarHBondContact O-CE 3.32Å; L9-K104 PolarHBondContact O-NZ 3.21Å; D11-K104 VanDerWaalsContact OD1-CE 3.23Å; D11-K104 WeakPolarHBondContact OD1-CE 3.27Å; D11-K104 IonicContact OD1-NZ 3.99Å; D11-K104 PolarHBondContact OD1-NZ 3.46Å; D11-K104 IonicContact OD2-NZ 2.96Å; L100-K104 WeakPolarHBondContact O-CG 3.36Å; L100-K104 PolarHBondContact O-N 2.88Å; Q101-K104 PolarHBondContact O-N 3.47Å; I102-K104 VanDerWaalsContact C-N 3.29Å; I102-K104 PolarHBondContact O-N 2.87Å; K104-A107 PolarHBondContact O-N 3.45Å; K104-L108 WeakPolarHBondContact O-CB 3.44Å; K104-L108 VanDerWaalsContact O-CG 3.27Å; K104-L108 WeakPolarHBondContact O-CG 3.32Å; K104-L108 PolarHBondContact O-N 3.02Å; K104-L108 VanDerWaalsContact O-N 3.09Å
105D96.6Very high95.8Very high0 Ų035.7 Ų35.70%020%0.201CC..Hα-helixtrans-69.2-34.1-179.7-76.3-14.5000112.5Q101 I102 G109 R110 L111 R190Q101-D105 PolarHBondContact NE2-OD1 3.06Å; Q101-D105 PolarHBondContact O-N 3.39Å; I102-D105 PolarHBondContact O-N 2.94Å; I102-D105 VanDerWaalsContact O-N 3.12Å; D105-G109 PolarHBondContact O-N 3.47Å; D105-R110 HydrophobicContact CB-CB 4.12Å; D105-R110 WeakPolarHBondContact O-CB 3.25Å; D105-R110 PolarHBondContact O-N 3Å; D105-R110 WeakPolarHBondContact OD1-CD 3.38Å; D105-R110 IonicContact OD1-NH1 3.67Å; D105-L111 HydrophobicContact CB-CD1 3.68Å; D105-L111 HydrophobicContact CB-CG 3.89Å; D105-R190 VanDerWaalsContact CG-NH2 3.31Å; D105-R190 IonicContact OD1-CZ 2.63Å; D105-R190 IonicContact OD1-NH1 3.47Å; D105-R190 IonicContact OD1-NH2 3.54Å; D105-R190 PolarHBondContact OD1-NH2 3.07Å; D105-R190 VanDerWaalsContact OD1-NH2 3.07Å; D105-R190 IonicContact OD2-CZ 3.25Å; D105-R190 VanDerWaalsContact OD2-CZ 3.28Å; D105-R190 IonicContact OD2-NH1 3.54Å; D105-R190 PolarHBondContact OD2-NH1 3.45Å; D105-R190 IonicContact OD2-NH2 3.45Å; D105-R190 PolarHBondContact OD2-NH2 3.37Å
106L96.8Very high95.8Very high6 Ų637.7 Ų37.73%0.03122%0.215CC..Hα-helixtrans-63-49.9170.9-75.6173.1000111.7I102 K103 L108 G109 L111 T118 M121 V122 I125 Y147 L148I102-L106 HydrophobicContact CG2-CD1 4.35Å; I102-L106 HydrophobicContact CG2-CG 4.49Å; I102-L106 WeakPolarHBondContact O-CG 3.33Å; I102-L106 PolarHBondContact O-N 3.22Å; K103-L106 PolarHBondContact O-N 3.3Å; L106-L108 PolarHBondContact O-N 2.92Å; L106-G109 PolarHBondContact O-N 3.39Å; L106-L111 HydrophobicContact CD2-CB 4.18Å; L106-L111 HydrophobicContact CG-CD1 4.4Å; L106-T118 HydrophobicContact CD2-CG2 4.38Å; L106-M121 HydrophobicContact CD1-CB 4.1Å; L106-M121 HydrophobicContact CD1-CE 4.16Å; L106-M121 HydrophobicContact CD2-CE 4.29Å; L106-M121 HydrophobicContact CD2-SD 4.33Å; L106-M121 HydrophobicContact CG-CE 4.42Å; L106-V122 HydrophobicContact CD1-CG2 4.37Å; L106-I125 HydrophobicContact CD1-CD1 3.93Å; L106-Y147 CarbonylContact C-O 3.53Å; L106-L148 HydrophobicContact CB-CD2 3.98Å; L106-L148 HydrophobicContact CD2-CD2 4.16Å
107A95.6Very high95.9Very high43 Ų4337.1 Ų37.136%0.35522%0.216SC..Hα-helixtrans-61.7-32.2-179.600000112.6K103 K104 G109 Y147K103-A107 PolarHBondContact O-N 3.13Å; K103-A107 VanDerWaalsContact O-N 3.1Å; K104-A107 PolarHBondContact O-N 3.45Å; A107-G109 VanDerWaalsContact C-N 3.32Å; A107-Y147 WeakPolarHBondContact CA-O 3.45Å; A107-Y147 PolarHBondContact N-O 3.04Å; A107-Y147 VanDerWaalsContact N-O 3.08Å
108L94.3Very high95.8Very high111 Ų11137.3 Ų37.358%0.58122%0.218SC*.THydrogen-bonded Turntrans-84.5-0.1175.7-65.7174.9000113.9K104 L106 R110K104-L108 WeakPolarHBondContact O-CB 3.44Å; K104-L108 VanDerWaalsContact O-CG 3.27Å; K104-L108 WeakPolarHBondContact O-CG 3.32Å; K104-L108 PolarHBondContact O-N 3.02Å; K104-L108 VanDerWaalsContact O-N 3.09Å; L106-L108 PolarHBondContact O-N 2.92Å; L108-R110 VanDerWaalsContact C-N 3.29Å; L108-R110 HydrophobicContact CB-CG 3.97Å; L108-R110 PolarHBondContact O-N 2.93Å
109G93.6Very high95.8Very high45 Ų4537.3 Ų37.346%0.46422%0.218SC..THydrogen-bonded Turntrans67.224.7-178.300000114.4D105 L106 A107D105-G109 PolarHBondContact O-N 3.47Å; L106-G109 PolarHBondContact O-N 3.39Å; A107-G109 VanDerWaalsContact C-N 3.32Å
110R93.3Very high95.9Very high96 Ų9639.2 Ų39.236%0.36223%0.227SC..  trans-85.4-14-177-67.9177170.6-178.9-3.4114.1D105 L108 P112D105-R110 HydrophobicContact CB-CB 4.12Å; D105-R110 WeakPolarHBondContact O-CB 3.25Å; D105-R110 PolarHBondContact O-N 3Å; D105-R110 WeakPolarHBondContact OD1-CD 3.38Å; D105-R110 IonicContact OD1-NH1 3.67Å; L108-R110 VanDerWaalsContact C-N 3.29Å; L108-R110 HydrophobicContact CB-CG 3.97Å; L108-R110 PolarHBondContact O-N 2.93Å; R110-P112 WeakPolarHBondContact O-CD 3.41Å
111L93.8Very high95.9Very high6 Ų638.7 Ų38.73%0.03123%0.225CC..SBendtrans-113.971.7178.6-66.9171.4000109.6I102 D105 L106 C113 L184 M186I102-L111 HydrophobicContact CD1-CD1 4.03Å; I102-L111 HydrophobicContact CG2-CD1 3.94Å; D105-L111 HydrophobicContact CB-CD1 3.68Å; D105-L111 HydrophobicContact CB-CG 3.89Å; L106-L111 HydrophobicContact CD2-CB 4.18Å; L106-L111 HydrophobicContact CG-CD1 4.4Å; L111-C113 PolarHBondContact O-N 2.97Å; L111-L184 HydrophobicContact CB-CD1 4.13Å; L111-L184 HydrophobicContact CD2-CD1 4.48Å; L111-M186 HydrophobicContact CD2-CB 4.45Å
112P91.9Very high95.9Very high59 Ų5938.7 Ų38.738%0.38323%0.225SC..  trans-62.2123.917729.2-37000109.8R110 M186 N217R110-P112 WeakPolarHBondContact O-CD 3.41Å; P112-M186 HydrophobicContact CG-CB 4.4Å; P112-M186 HydrophobicContact CG-CG 3.82Å; P112-N217 HydrophobicContact CG-CB 4.21Å
113C92.3Very high95.9Very high38 Ų3838.7 Ų38.726%0.25723%0.225SC..  trans-153177.4174.458.50000109.9L111 C117 T118 L184L111-C113 PolarHBondContact O-N 2.97Å; C113-C117 HydrophobicContact CB-CB 4.11Å; C113-T118 PolarHBondContact SG-OG1 3.37Å; C113-L184 HydrophobicContact CB-CD1 4.09Å; C113-L184 HydrophobicContact CB-CD2 3.61Å; C113-L184 HydrophobicContact CB-CG 4.5Å
114S95.4Very high96Very high74 Ų7436.6 Ų36.652%0.51722%0.216SC..  trans-65.4155.517966.50000111.5N116 C117 T118S114-N116 PolarHBondContact O-N 3.24Å; S114-C117 PolarHBondContact O-N 3.09Å; S114-C117 VanDerWaalsContact O-N 3.07Å; S114-C117 WeakPolarHBondContact OG-CB 3.43Å; S114-C117 PolarHBondContact OG-N 2.79Å; S114-T118 WeakPolarHBondContact O-CB 3.13Å; S114-T118 PolarHBondContact O-N 2.83Å; S114-T118 PolarHBondContact O-OG1 2.73Å
115D96.1Very high96.1Very high74 Ų7434.8 Ų34.840%0.39621%0.208SC..Hα-helixtrans-52.1-41176.1-74.3-3.7000112.8T118 A119 L154 K157D115-T118 PolarHBondContact O-N 3.04Å; D115-A119 WeakPolarHBondContact O-CB 3.3Å; D115-A119 PolarHBondContact O-N 3.48Å; D115-L154 HydrophobicContact CB-CD2 3.57Å; D115-K157 IonicContact OD2-NZ 3.91Å
116N96.9Very high96.1Very high89 Ų8934.8 Ų34.848%0.47621%0.208SC..Hα-helixtrans-68.1-41.4179.7-68-8.6000111.4S114 L120 K157S114-N116 PolarHBondContact O-N 3.24Å; N116-L120 VanDerWaalsContact O-CB 3.27Å; N116-L120 WeakPolarHBondContact O-CB 3.25Å; N116-L120 PolarHBondContact O-N 3.05Å; N116-K157 PolarHBondContact OD1-NZ 3.37Å
117C97.3Very high96.2Very high25 Ų2534.5 Ų34.517%0.16921%0.207CC..Hα-helixtrans-65.5-45176.5-175.60000110.9C113 S114 L120 M121C113-C117 HydrophobicContact CB-CB 4.11Å; S114-C117 PolarHBondContact O-N 3.09Å; S114-C117 VanDerWaalsContact O-N 3.07Å; S114-C117 WeakPolarHBondContact OG-CB 3.43Å; S114-C117 PolarHBondContact OG-N 2.79Å; C117-L120 PolarHBondContact O-N 2.82Å; C117-M121 WeakPolarHBondContact O-CG 3.15Å; C117-M121 PolarHBondContact O-N 3.11Å
118T96.8Very high96.2Very high12 Ų1232.6 Ų32.67%0.07419%0.19CC..Hα-helixtrans-61.2-47.9178-50.50000111.2L106 C113 S114 D115 L120 M121 V122 L148 L154L106-T118 HydrophobicContact CD2-CG2 4.38Å; C113-T118 PolarHBondContact SG-OG1 3.37Å; S114-T118 WeakPolarHBondContact O-CB 3.13Å; S114-T118 PolarHBondContact O-N 2.83Å; S114-T118 PolarHBondContact O-OG1 2.73Å; D115-T118 PolarHBondContact O-N 3.04Å; T118-L120 VanDerWaalsContact C-N 3.35Å; T118-L120 PolarHBondContact O-N 3.22Å; T118-M121 PolarHBondContact O-N 3.46Å; T118-V122 WeakPolarHBondContact O-CG2 3.49Å; T118-V122 PolarHBondContact O-N 2.87Å; T118-L148 HydrophobicContact CG2-CD1 3.4Å; T118-L148 HydrophobicContact CG2-CD2 3.2Å; T118-L148 HydrophobicContact CG2-CG 3.9Å; T118-L154 HydrophobicContact CG2-CD1 4.41Å
119A97.8Very high96.1Very high0 Ų029.5 Ų29.50%017%0.173CC..Hα-helixtrans-62.6-41177.800000112.1D115 V122 S123 K157 I158 F161D115-A119 WeakPolarHBondContact O-CB 3.3Å; D115-A119 PolarHBondContact O-N 3.48Å; A119-V122 PolarHBondContact O-N 3.11Å; A119-S123 WeakPolarHBondContact O-CB 3.39Å; A119-S123 PolarHBondContact O-N 2.69Å; A119-K157 HydrophobicContact CB-CB 3.78Å; A119-I158 HydrophobicContact CB-CG1 3.84Å; A119-F161 HydrophobicContact CB-CD2 4.02Å; A119-F161 HydrophobicContact CB-CE2 4.19Å
120L98.3Very high96.2Very high44 Ų4430.2 Ų30.223%0.2317%0.166CC..Hα-helixtrans-61-46.1174.5177.763.6000111.5N116 C117 T118 V122 S123 H124 F161 V180N116-L120 VanDerWaalsContact O-CB 3.27Å; N116-L120 WeakPolarHBondContact O-CB 3.25Å; N116-L120 PolarHBondContact O-N 3.05Å; C117-L120 PolarHBondContact O-N 2.82Å; T118-L120 VanDerWaalsContact C-N 3.35Å; T118-L120 PolarHBondContact O-N 3.22Å; L120-V122 PolarHBondContact O-N 3.37Å; L120-S123 PolarHBondContact O-N 3.41Å; L120-S123 PolarHBondContact O-OG 2.57Å; L120-H124 PolarHBondContact O-CD2 3.38Å; L120-H124 VanDerWaalsContact O-CD2 3.31Å; L120-H124 PolarHBondContact O-N 3.38Å; L120-F161 HydrophobicContact CB-CD2 4.27Å; L120-F161 HydrophobicContact CB-CE2 4.33Å; L120-F161 HydrophobicContact CB-CG 4.42Å; L120-F161 HydrophobicContact CD1-CB 4.39Å; L120-F161 HydrophobicContact CD1-CD1 3.85Å; L120-F161 HydrophobicContact CD1-CE1 4.3Å; L120-F161 HydrophobicContact CD1-CG 4.13Å; L120-V180 HydrophobicContact CD2-CG2 4.17Å
121M98.3Very high96.3Very high0 Ų026.9 Ų26.90%016%0.161CC..Hα-helixtrans-60.9-45.6177.3-70.4179.772.200111.8I102 L106 C117 T118 S123 H124 I125 L177 V180 A181 L184I102-M121 HydrophobicContact CG2-CE 3.39Å; L106-M121 HydrophobicContact CD1-CB 4.1Å; L106-M121 HydrophobicContact CD1-CE 4.16Å; L106-M121 HydrophobicContact CD2-CE 4.29Å; L106-M121 HydrophobicContact CD2-SD 4.33Å; L106-M121 HydrophobicContact CG-CE 4.42Å; C117-M121 WeakPolarHBondContact O-CG 3.15Å; C117-M121 PolarHBondContact O-N 3.11Å; T118-M121 PolarHBondContact O-N 3.46Å; M121-S123 VanDerWaalsContact C-N 3.31Å; M121-S123 PolarHBondContact O-N 2.86Å; M121-H124 PolarHBondContact O-N 3.46Å; M121-I125 PolarHBondContact O-N 2.83Å; M121-L177 HydrophobicContact CB-CD1 3.59Å; M121-L177 HydrophobicContact CE-CD1 3.81Å; M121-L177 HydrophobicContact CG-CD1 3.89Å; M121-L177 WeakPolarHBondContact O-CD1 3.48Å; M121-V180 HydrophobicContact CG-CB 4.24Å; M121-V180 HydrophobicContact CG-CG1 3.64Å; M121-V180 HydrophobicContact SD-CG1 4.1Å; M121-A181 HydrophobicContact CE-CB 3.68Å; M121-L184 HydrophobicContact CE-CD1 4.4Å; M121-L184 HydrophobicContact SD-CD1 3.87Å
122V98.1Very high96.5Very high0 Ų030.7 Ų30.70%018%0.182CC..Hα-helixtrans-64.2-37.1177.1177.10000111.6L106 T118 A119 L120 H124 I125 L126 Y147 L148 I158L106-V122 HydrophobicContact CD1-CG2 4.37Å; T118-V122 WeakPolarHBondContact O-CG2 3.49Å; T118-V122 PolarHBondContact O-N 2.87Å; A119-V122 PolarHBondContact O-N 3.11Å; L120-V122 PolarHBondContact O-N 3.37Å; V122-H124 VanDerWaalsContact C-N 3.29Å; V122-H124 PolarHBondContact O-N 3.31Å; V122-I125 WeakPolarHBondContact O-CA 3.43Å; V122-I125 WeakPolarHBondContact O-CB 3.42Å; V122-I125 PolarHBondContact O-N 2.62Å; V122-L126 PolarHBondContact O-N 2.92Å; V122-Y147 HydrophobicContact CG1-CD1 4.47Å; V122-Y147 HydrophobicContact CG1-CD2 4.02Å; V122-Y147 HydrophobicContact CG1-CG 3.9Å; V122-L148 HydrophobicContact CG2-CD1 3.79Å; V122-L148 HydrophobicContact CG2-CD2 3.94Å; V122-L148 HydrophobicContact CG2-CG 3.81Å; V122-I158 HydrophobicContact CB-CD1 4.26Å; V122-I158 HydrophobicContact CB-CG1 4.24Å; V122-I158 HydrophobicContact CB-CG2 4.38Å; V122-I158 HydrophobicContact CG1-CD1 3.99Å; V122-I158 HydrophobicContact CG1-CG1 4.28Å; V122-I158 HydrophobicContact CG1-CG2 3.88Å
123S98.3Very high96.7Very high0 Ų030.1 Ų30.10%017%0.173CC..Hα-helixtrans-62.2-34176.7740000113.4A119 L120 M121 L126 Q127 F161 H165A119-S123 WeakPolarHBondContact O-CB 3.39Å; A119-S123 PolarHBondContact O-N 2.69Å; L120-S123 PolarHBondContact O-N 3.41Å; L120-S123 PolarHBondContact O-OG 2.57Å; M121-S123 VanDerWaalsContact C-N 3.31Å; M121-S123 PolarHBondContact O-N 2.86Å; S123-L126 PolarHBondContact O-N 3.41Å; S123-Q127 PolarHBondContact O-N 3.46Å; S123-F161 VanDerWaalsContact OG-CB 3.3Å; S123-F161 WeakPolarHBondContact OG-CB 3.39Å; S123-H165 PolarHBondContact OG-NE2 3.44Å
124H98.4Very high96.9Very high7 Ų733.1 Ų33.13%0.03218%0.183CC..Hα-helixtrans-69.3-35.6172.2-75.6-60.8000112.2L120 M121 V122 S128 H165 L177L120-H124 PolarHBondContact O-CD2 3.38Å; L120-H124 VanDerWaalsContact O-CD2 3.31Å; L120-H124 PolarHBondContact O-N 3.38Å; M121-H124 PolarHBondContact O-N 3.46Å; V122-H124 VanDerWaalsContact C-N 3.29Å; V122-H124 PolarHBondContact O-N 3.31Å; H124-S128 WeakPolarHBondContact O-CB 3.46Å; H124-S128 PolarHBondContact O-N 3.18Å; H124-S128 VanDerWaalsContact O-N 3.08Å; H124-H165 AromaticContact CE1-CE1 3.33Å; H124-H165 PolarHBondContact CE1-CE1 3.4Å; H124-H165 AromaticContact CE1-ND1 3.76Å; H124-H165 AromaticContact CE1-NE2 3.58Å; H124-H165 AromaticContact ND1-CD2 3.97Å; H124-H165 AromaticContact ND1-CE1 3.89Å; H124-H165 AromaticContact ND1-NE2 3.72Å; H124-H165 AromaticContact NE2-CE1 3.73Å; H124-H165 AromaticContact NE2-NE2 3.88Å; H124-L177 HydrophobicContact CB-CB 4.02Å
125I97.7Very high96.9Very high1 Ų134.1 Ų34.11%0.00518%0.18CC..Hα-helixtrans-63.1-45.2173.6-62.5168.4000109.8K103 L106 M121 V122 S128 E129 Y147 L177K103-I125 HydrophobicContact CB-CD1 3.95Å; K103-I125 HydrophobicContact CD-CG2 4.1Å; K103-I125 HydrophobicContact CG-CD1 4.23Å; L106-I125 HydrophobicContact CD1-CD1 3.93Å; M121-I125 PolarHBondContact O-N 2.83Å; V122-I125 WeakPolarHBondContact O-CA 3.43Å; V122-I125 WeakPolarHBondContact O-CB 3.42Å; V122-I125 PolarHBondContact O-N 2.62Å; I125-S128 PolarHBondContact O-N 3.43Å; I125-S128 PolarHBondContact O-OG 3.12Å; I125-E129 HydrophobicContact CG2-CG 4.32Å; I125-E129 WeakPolarHBondContact O-CB 3.43Å; I125-E129 WeakPolarHBondContact O-CG 3.43Å; I125-E129 PolarHBondContact O-N 3.05Å; I125-Y147 HydrophobicContact CB-CE1 4.45Å; I125-Y147 HydrophobicContact CG2-CD1 4.09Å; I125-Y147 HydrophobicContact CG2-CE1 3.5Å; I125-Y147 VanDerWaalsContact CG2-CE1 3.5Å; I125-L177 HydrophobicContact CD1-CD2 4.31Å; I125-L177 HydrophobicContact CG1-CD1 4.4Å; I125-L177 HydrophobicContact CG1-CD2 3.73Å
126L97.4Very high96.8Very high0 Ų037.8 Ų37.80%020%0.195CC..Hα-helixtrans-58.8-50.6175.8-66.9-174.7000112.1V122 S123 S128 E129 L130 L142 Y147 I158V122-L126 PolarHBondContact O-N 2.92Å; S123-L126 PolarHBondContact O-N 3.41Å; L126-S128 PolarHBondContact O-N 3.4Å; L126-S128 VanDerWaalsContact O-N 3.17Å; L126-E129 PolarHBondContact O-N 3.37Å; L126-L130 HydrophobicContact CD2-CD1 4.1Å; L126-L130 WeakPolarHBondContact O-CB 3.26Å; L126-L130 PolarHBondContact O-N 3.11Å; L126-L142 HydrophobicContact CD1-CD1 4.18Å; L126-L142 HydrophobicContact CD1-CD2 4.16Å; L126-L142 HydrophobicContact CD1-CG 4.3Å; L126-L142 HydrophobicContact CD2-CD2 4.2Å; L126-Y147 HydrophobicContact CD2-CE2 3.93Å; L126-I158 HydrophobicContact CD1-CG2 3.52Å; L126-I158 HydrophobicContact CG-CG2 4.44Å
127Q97.7Very high96.7Very high1 Ų136.8 Ų36.81%0.00519%0.192CC..Hα-helixtrans-55-38.9177.5-176.268.631.100111.3S123 G131 D132 H162 H165 R168 S173S123-Q127 PolarHBondContact O-N 3.46Å; Q127-G131 WeakPolarHBondContact O-CA 3.47Å; Q127-G131 PolarHBondContact O-N 3.37Å; Q127-G131 VanDerWaalsContact O-N 3.12Å; Q127-G131 PolarHBondContact OE1-O 3.21Å; Q127-D132 PolarHBondContact NE2-OD1 3.01Å; Q127-H162 VanDerWaalsContact CA-NE2 3.34Å; Q127-H162 WeakPolarHBondContact CA-NE2 3.39Å; Q127-H162 PolarHBondContact N-NE2 3.17Å; Q127-H162 PolarHBondContact OE1-CD2 2.69Å; Q127-H162 VanDerWaalsContact OE1-CD2 3.24Å; Q127-H162 PolarHBondContact OE1-NE2 3.02Å; Q127-H162 VanDerWaalsContact OE1-NE2 3.11Å; Q127-H165 HydrophobicContact CB-CB 4.2Å; Q127-H165 HydrophobicContact CG-CB 3.93Å; Q127-H165 PolarHBondContact NE2-O 2.84Å; Q127-H165 PolarHBondContact OE1-O 3.21Å; Q127-R168 HydrophobicContact CG-CB 4.19Å; Q127-R168 PolarHBondContact NE2-O 3.36Å; Q127-S173 WeakPolarHBondContact CG-OG 3.34Å
128S95.9Very high96.6Very high2 Ų235.7 Ų35.71%0.01418%0.184CC..Hα-helixtrans-74.7-27-179.589.40000113.8H124 I125 L126 R325H124-S128 WeakPolarHBondContact O-CB 3.46Å; H124-S128 PolarHBondContact O-N 3.18Å; H124-S128 VanDerWaalsContact O-N 3.08Å; I125-S128 PolarHBondContact O-N 3.43Å; I125-S128 PolarHBondContact O-OG 3.12Å; L126-S128 PolarHBondContact O-N 3.4Å; L126-S128 VanDerWaalsContact O-N 3.17Å; S128-R325 VanDerWaalsContact C-NH1 3.28Å; S128-R325 PolarHBondContact O-NH1 3.25Å; S128-R325 PolarHBondContact OG-NH1 3.2Å
129E93.7Very high96.6Very high47 Ų4740.9 Ų40.922%0.2220%0.202CC..Hα-helixtrans-95.7-40.6-176-72.4-176.3170.600112.8K103 I125 L126 H141 Y147 H327K103-E129 IonicContact NZ-OE1 2.73Å; K103-E129 PolarHBondContact NZ-OE1 3.48Å; K103-E129 IonicContact NZ-OE2 2.87Å; K103-E129 PolarHBondContact NZ-OE2 3.41Å; I125-E129 HydrophobicContact CG2-CG 4.32Å; I125-E129 WeakPolarHBondContact O-CB 3.43Å; I125-E129 WeakPolarHBondContact O-CG 3.43Å; I125-E129 PolarHBondContact O-N 3.05Å; L126-E129 PolarHBondContact O-N 3.37Å; E129-H141 IonicContact OE2-NE2 3.87Å; E129-Y147 PolarHBondContact OE2-OH 3.37Å; E129-H327 PolarHBondContact O-ND1 2.76Å
130L94.8Very high96.4Very high60 Ų6047 Ų4731%0.31423%0.229SC..Hα-helixtrans-103.3-22.6-173.3-57.4-177.5000113.5L126 H141L126-L130 HydrophobicContact CD2-CD1 4.1Å; L126-L130 WeakPolarHBondContact O-CB 3.26Å; L126-L130 PolarHBondContact O-N 3.11Å; L130-H141 HydrophobicContact CD1-CB 3.96Å; L130-H141 HydrophobicContact CD2-CB 4.48Å
131G95.3Very high96.3Very high26 Ų2645.5 Ų45.527%0.26822%0.221SC..  trans83.6-151.8-167.800000111.4Q127 H162Q127-G131 WeakPolarHBondContact O-CA 3.47Å; Q127-G131 PolarHBondContact O-N 3.37Å; Q127-G131 VanDerWaalsContact O-N 3.12Å; Q127-G131 PolarHBondContact OE1-O 3.21Å; G131-H162 PolarHBondContact O-CE1 2.96Å; G131-H162 PolarHBondContact O-NE2 3.37Å
132D97.2Very high96.2Very high85 Ų8545.6 Ų45.646%0.45522%0.221SC..SBendtrans-63146.4-175.6-68.5-24.2000113.3Q127 H134 I166 G167Q127-D132 PolarHBondContact NE2-OD1 3.01Å; D132-H134 PolarHBondContact O-N 2.82Å; D132-I166 WeakPolarHBondContact OD1-CA 3.38Å; D132-G167 PolarHBondContact OD1-N 2.96Å
133F97.1Very high96Very high47 Ų4749.6 Ų49.621%0.20625%0.254CS..  trans-53.1126.3-176.4174.9-102.5000113.6E135 D138 M159 H162 Q163F133-E135 HydrophobicContact CE1-CB 4.17Å; F133-E135 HydrophobicContact CZ-CB 3.83Å; F133-E135 HydrophobicContact CZ-CG 4.39Å; F133-D138 VanDerWaalsContact CD2-OD2 3.25Å; F133-D138 WeakPolarHBondContact CD2-OD2 3.37Å; F133-D138 HydrophobicContact CE2-CB 4.25Å; F133-M159 HydrophobicContact CE2-CB 3.97Å; F133-M159 HydrophobicContact CE2-CG 4.26Å; F133-M159 HydrophobicContact CZ-CB 4.49Å; F133-H162 HydrophobicContact CD2-CB 4.05Å; F133-H162 AromaticContact CD2-ND1 3.71Å; F133-Q163 HydrophobicContact CD1-CB 4.01Å; F133-Q163 HydrophobicContact CD1-CG 4.01Å; F133-Q163 HydrophobicContact CE1-CB 4.36Å; F133-Q163 HydrophobicContact CE1-CG 4.35Å; F133-Q163 HydrophobicContact CG-CB 4.13Å
134H96.4Very high95.7Very high102 Ų10255.3 Ų55.347%0.47228%0.281SS..  trans-137.7111.9166.1-179-11.1000109.9D132 E136 T137 D138D132-H134 PolarHBondContact O-N 2.82Å; H134-E136 PolarHBondContact O-N 3.21Å; H134-T137 PolarHBondContact O-N 3.42Å; H134-D138 PolarHBondContact N-OD1 3.45Å; H134-D138 WeakPolarHBondContact O-CB 3.26Å; H134-D138 PolarHBondContact O-N 3.17Å; H134-D138 VanDerWaalsContact O-OD1 3.12Å
135E94.9Very high95.5Very high94 Ų9456.2 Ų56.244%0.43929%0.287SS..Hα-helixtrans-47.8-50.5-170.5-175.1169.8-159.300115.5F133 T137 R139F133-E135 HydrophobicContact CE1-CB 4.17Å; F133-E135 HydrophobicContact CZ-CB 3.83Å; F133-E135 HydrophobicContact CZ-CG 4.39Å; E135-T137 PolarHBondContact O-N 2.63Å; E135-R139 WeakPolarHBondContact O-CB 3.46Å; E135-R139 VanDerWaalsContact O-CG 3.31Å; E135-R139 WeakPolarHBondContact O-CG 3.39Å; E135-R139 PolarHBondContact O-N 2.81Å; E135-R139 IonicContact OE1-CZ 2.61Å; E135-R139 VanDerWaalsContact OE1-CZ 3.25Å; E135-R139 IonicContact OE1-NE 2.85Å; E135-R139 PolarHBondContact OE1-NE 2.92Å; E135-R139 IonicContact OE1-NH2 2.71Å; E135-R139 PolarHBondContact OE1-NH2 3.41Å
136E95.1Very high95.3Very high151 Ų15162.8 Ų62.871%0.70631%0.312SS*.Hα-helixtrans-65-40.1179.7-65-171.9171.100113H134 K140H134-E136 PolarHBondContact O-N 3.21Å; E136-K140 VanDerWaalsContact O-CB 3.3Å; E136-K140 WeakPolarHBondContact O-CB 3.4Å; E136-K140 PolarHBondContact O-N 3.46Å
137T94.5Very high95.2Very high69 Ų6962.9 Ų62.942%0.42331%0.312SS..Hα-helixtrans-68.5-44.9-179.7-60.50000110.3H134 E135 K140 H141H134-T137 PolarHBondContact O-N 3.42Å; E135-T137 PolarHBondContact O-N 2.63Å; T137-K140 PolarHBondContact O-N 3.31Å; T137-H141 VanDerWaalsContact O-CB 3.3Å; T137-H141 WeakPolarHBondContact O-CB 3.29Å; T137-H141 PolarHBondContact O-N 2.87Å
138D95.4Very high95.1Very high1 Ų163.1 Ų63.11%0.00531%0.314CS..Hα-helixtrans-59.2-53.4177-8651.7000113.1F133 H134 K140 H141 L142 H162F133-D138 VanDerWaalsContact CD2-OD2 3.25Å; F133-D138 WeakPolarHBondContact CD2-OD2 3.37Å; F133-D138 HydrophobicContact CE2-CB 4.25Å; H134-D138 PolarHBondContact N-OD1 3.45Å; H134-D138 WeakPolarHBondContact O-CB 3.26Å; H134-D138 PolarHBondContact O-N 3.17Å; H134-D138 VanDerWaalsContact O-OD1 3.12Å; D138-K140 VanDerWaalsContact C-N 3.31Å; D138-K140 PolarHBondContact O-N 2.63Å; D138-H141 PolarHBondContact O-N 3.13Å; D138-H141 VanDerWaalsContact O-N 3.12Å; D138-L142 WeakPolarHBondContact O-CB 3.35Å; D138-L142 WeakPolarHBondContact O-CG 3.33Å; D138-L142 PolarHBondContact O-N 3.45Å; D138-H162 IonicContact OD1-CE1 3.63Å; D138-H162 IonicContact OD1-ND1 3.81Å; D138-H162 IonicContact OD2-CE1 3.22Å; D138-H162 PolarHBondContact OD2-CE1 3.27Å; D138-H162 IonicContact OD2-CG 3.47Å; D138-H162 IonicContact OD2-ND1 2.81Å; D138-H162 PolarHBondContact OD2-ND1 3.35Å
139R95.4Very high95Very high121 Ų12167.6 Ų67.646%0.45734%0.342SS..Hα-helixtrans-58.9-45.2179.1-73.8-179.3-177.2-161.92.5111.1E135 H141 L142 A143 M159E135-R139 WeakPolarHBondContact O-CB 3.46Å; E135-R139 VanDerWaalsContact O-CG 3.31Å; E135-R139 WeakPolarHBondContact O-CG 3.39Å; E135-R139 PolarHBondContact O-N 2.81Å; E135-R139 IonicContact OE1-CZ 2.61Å; E135-R139 VanDerWaalsContact OE1-CZ 3.25Å; E135-R139 IonicContact OE1-NE 2.85Å; E135-R139 PolarHBondContact OE1-NE 2.92Å; E135-R139 IonicContact OE1-NH2 2.71Å; E135-R139 PolarHBondContact OE1-NH2 3.41Å; R139-H141 VanDerWaalsContact C-N 3.3Å; R139-H141 PolarHBondContact O-N 3Å; R139-L142 PolarHBondContact O-N 3.26Å; R139-A143 WeakPolarHBondContact O-CB 3.45Å; R139-A143 PolarHBondContact O-N 3.45Å; R139-M159 HydrophobicContact CG-CE 4.24Å; R139-M159 HydrophobicContact CG-SD 3.46Å; R139-M159 WeakPolarHBondContact CG-SD 3.48Å
140K95.4Very high94.8Very high129 Ų12968.8 Ų68.856%0.56135%0.351SS*.Hα-helixtrans-61.3-41.2177.1-176.8178.7178.5-179.60111.4E136 T137 D138 A143 Q144E136-K140 VanDerWaalsContact O-CB 3.3Å; E136-K140 WeakPolarHBondContact O-CB 3.4Å; E136-K140 PolarHBondContact O-N 3.46Å; T137-K140 PolarHBondContact O-N 3.31Å; D138-K140 VanDerWaalsContact C-N 3.31Å; D138-K140 PolarHBondContact O-N 2.63Å; K140-A143 PolarHBondContact O-N 3.15Å; K140-Q144 VanDerWaalsContact O-CG 3.27Å; K140-Q144 WeakPolarHBondContact O-CG 3.39Å; K140-Q144 PolarHBondContact O-N 3.17Å
141H95.3Very high94.8Very high13 Ų1366 Ų666%0.0634%0.336CS..Hα-helixtrans-69.9-42.4179.9-173.673.8000112.6E129 L130 T137 D138 R139 A143 Q144 T145 Y147 S330E129-H141 IonicContact OE2-NE2 3.87Å; L130-H141 HydrophobicContact CD1-CB 3.96Å; L130-H141 HydrophobicContact CD2-CB 4.48Å; T137-H141 VanDerWaalsContact O-CB 3.3Å; T137-H141 WeakPolarHBondContact O-CB 3.29Å; T137-H141 PolarHBondContact O-N 2.87Å; D138-H141 PolarHBondContact O-N 3.13Å; D138-H141 VanDerWaalsContact O-N 3.12Å; R139-H141 VanDerWaalsContact C-N 3.3Å; R139-H141 PolarHBondContact O-N 3Å; H141-A143 VanDerWaalsContact C-N 3.31Å; H141-A143 PolarHBondContact O-N 3.42Å; H141-Q144 PolarHBondContact O-N 3.1Å; H141-Q144 VanDerWaalsContact O-N 3.11Å; H141-T145 PolarHBondContact CE1-OG1 3.39Å; H141-T145 WeakPolarHBondContact O-CB 3.35Å; H141-T145 PolarHBondContact O-N 3.01Å; H141-T145 PolarHBondContact O-OG1 3.37Å; H141-Y147 PolarHBondContact CD2-OH 3.04Å; H141-Y147 AromaticContact NE2-CZ 3.8Å; H141-Y147 PolarHBondContact NE2-OH 3.21Å; H141-S330 PolarHBondContact ND1-OG 3.4Å
142L95.7Very high94.6Very high1 Ų169.7 Ų69.71%0.00535%0.349CS..Hα-helixtrans-64.2-35.1174-71.9171.7000111.6L126 D138 R139 Q144 T145 Y147 Q151 E155 I158 M159L126-L142 HydrophobicContact CD1-CD1 4.18Å; L126-L142 HydrophobicContact CD1-CD2 4.16Å; L126-L142 HydrophobicContact CD1-CG 4.3Å; L126-L142 HydrophobicContact CD2-CD2 4.2Å; D138-L142 WeakPolarHBondContact O-CB 3.35Å; D138-L142 WeakPolarHBondContact O-CG 3.33Å; D138-L142 PolarHBondContact O-N 3.45Å; R139-L142 PolarHBondContact O-N 3.26Å; L142-Q144 VanDerWaalsContact C-N 3.27Å; L142-Q144 PolarHBondContact O-N 3.22Å; L142-T145 VanDerWaalsContact O-O 3.12Å; L142-Y147 HydrophobicContact CD2-CD2 3.98Å; L142-Y147 HydrophobicContact CD2-CE2 4.04Å; L142-Q151 PolarHBondContact O-NE2 3.46Å; L142-E155 HydrophobicContact CB-CG 4.31Å; L142-E155 HydrophobicContact CD1-CG 3.71Å; L142-I158 HydrophobicContact CD1-CG2 4.05Å; L142-I158 HydrophobicContact CD2-CG2 4.34Å; L142-M159 HydrophobicContact CD1-CG 4.22Å
143A93.6Very high94.4Very high84 Ų8470.9 Ų70.969%0.69436%0.363SS*.Hα-helixtrans-65.8-29.2172.900000113.1R139 K140 H141R139-A143 WeakPolarHBondContact O-CB 3.45Å; R139-A143 PolarHBondContact O-N 3.45Å; K140-A143 PolarHBondContact O-N 3.15Å; H141-A143 VanDerWaalsContact C-N 3.31Å; H141-A143 PolarHBondContact O-N 3.42Å
144Q93.6Very high94.4Very high120 Ų12068.7 Ų68.756%0.56135%0.354SS*.Hα-helixtrans-94.2-26.8-176.6-69.8177-11.800113.7K140 H141 L142K140-Q144 VanDerWaalsContact O-CG 3.27Å; K140-Q144 WeakPolarHBondContact O-CG 3.39Å; K140-Q144 PolarHBondContact O-N 3.17Å; H141-Q144 PolarHBondContact O-N 3.1Å; H141-Q144 VanDerWaalsContact O-N 3.11Å; L142-Q144 VanDerWaalsContact C-N 3.27Å; L142-Q144 PolarHBondContact O-N 3.22Å
145T93.6Very high94.4Very high26 Ų2666.1 Ų66.116%0.1634%0.342CS..  trans-118.3125.9-173.2-53.10000110.8H141 L142 Y147 Q151H141-T145 PolarHBondContact CE1-OG1 3.39Å; H141-T145 WeakPolarHBondContact O-CB 3.35Å; H141-T145 PolarHBondContact O-N 3.01Å; H141-T145 PolarHBondContact O-OG1 3.37Å; L142-T145 VanDerWaalsContact O-O 3.12Å; T145-Y147 HydrophobicContact CG2-CD2 4.16Å; T145-Y147 HydrophobicContact CG2-CE1 4.11Å; T145-Y147 HydrophobicContact CG2-CE2 3.58Å; T145-Q151 PolarHBondContact O-NE2 3.46Å; T145-Q151 PolarHBondContact O-OE1 3.02Å
146R94Very high94.4Very high140 Ų14066.1 Ų66.153%0.52835%0.352SS..  trans-95.1111.4175.5-70.8-65.6-171.1-178.51.6111.1D152R146-D152 IonicContact CZ-OD1 3.69Å; R146-D152 IonicContact CZ-OD2 3.71Å; R146-D152 VanDerWaalsContact NH1-CG 3.29Å; R146-D152 IonicContact NH1-OD1 3.07Å; R146-D152 PolarHBondContact NH1-OD1 3.34Å; R146-D152 IonicContact NH1-OD2 3.59Å; R146-D152 PolarHBondContact NH1-OD2 2.92Å; R146-D152 IonicContact NH2-OD1 2.71Å; R146-D152 PolarHBondContact NH2-OD1 3.47Å; R146-D152 IonicContact NH2-OD2 3.28Å; R146-D152 PolarHBondContact NH2-OD2 2.93Å
147Y95.3Very high94.6Very high1 Ų162.7 Ų62.70%0.00434%0.335CS..  trans-96.8-25.7173.4-63.6-82.3000113K103 L106 A107 V122 I125 L126 E129 H141 L142 T145K103-Y147 HydrophobicContact CD-CD1 4.33Å; K103-Y147 HydrophobicContact CD-CE1 4.08Å; K103-Y147 VanDerWaalsContact CE-CE1 3.41Å; K103-Y147 HydrophobicContact CG-CD1 4.17Å; K103-Y147 HydrophobicContact CG-CE1 4.43Å; L106-Y147 CarbonylContact C-O 3.53Å; A107-Y147 WeakPolarHBondContact CA-O 3.45Å; A107-Y147 PolarHBondContact N-O 3.04Å; A107-Y147 VanDerWaalsContact N-O 3.08Å; V122-Y147 HydrophobicContact CG1-CD1 4.47Å; V122-Y147 HydrophobicContact CG1-CD2 4.02Å; V122-Y147 HydrophobicContact CG1-CG 3.9Å; I125-Y147 HydrophobicContact CB-CE1 4.45Å; I125-Y147 HydrophobicContact CG2-CD1 4.09Å; I125-Y147 HydrophobicContact CG2-CE1 3.5Å; I125-Y147 VanDerWaalsContact CG2-CE1 3.5Å; L126-Y147 HydrophobicContact CD2-CE2 3.93Å; E129-Y147 PolarHBondContact OE2-OH 3.37Å; H141-Y147 PolarHBondContact CD2-OH 3.04Å; H141-Y147 AromaticContact NE2-CZ 3.8Å; H141-Y147 PolarHBondContact NE2-OH 3.21Å; L142-Y147 HydrophobicContact CD2-CD2 3.98Å; L142-Y147 HydrophobicContact CD2-CE2 4.04Å; T145-Y147 HydrophobicContact CG2-CD2 4.16Å; T145-Y147 HydrophobicContact CG2-CE1 4.11Å; T145-Y147 HydrophobicContact CG2-CE2 3.58Å
148L95.4Very high94.8Very high7 Ų759.4 Ų59.44%0.03732%0.315CS..SBendtrans-140.2151.3-173.7-55.4169.2000111.4L106 T118 V122 N150 Q151 L154 I158L106-L148 HydrophobicContact CB-CD2 3.98Å; L106-L148 HydrophobicContact CD2-CD2 4.16Å; T118-L148 HydrophobicContact CG2-CD1 3.4Å; T118-L148 HydrophobicContact CG2-CD2 3.2Å; T118-L148 HydrophobicContact CG2-CG 3.9Å; V122-L148 HydrophobicContact CG2-CD1 3.79Å; V122-L148 HydrophobicContact CG2-CD2 3.94Å; V122-L148 HydrophobicContact CG2-CG 3.81Å; L148-N150 VanDerWaalsContact C-N 3.32Å; L148-N150 PolarHBondContact O-N 2.92Å; L148-Q151 HydrophobicContact CB-CB 4.08Å; L148-L154 HydrophobicContact CD1-CD1 3.84Å; L148-I158 HydrophobicContact CD1-CD1 4.34Å
149P92.8Very high94.9Very high95 Ų9560.2 Ų60.262%0.61732%0.319SS*.THydrogen-bonded Turntrans-61.3-35.2171.9-24.534.7000114.3
150N90.4Very high95Very high73 Ų7358.9 Ų58.939%0.3932%0.317SS..THydrogen-bonded Turntrans-111.731.2-176.864.9-30.1000112.9L148 D152 C153L148-N150 VanDerWaalsContact C-N 3.32Å; L148-N150 PolarHBondContact O-N 2.92Å; N150-D152 VanDerWaalsContact C-N 3.29Å; N150-D152 PolarHBondContact O-N 3.24Å; N150-C153 PolarHBondContact O-N 3.35Å
151Q93.6Very high95.1Very high0 Ų054.8 Ų54.80%030%0.3CS..G310 helixtrans-56.5-37.5-171.3-178.1174.9-60.900114.2L142 T145 L148 C153 L154 E155 I158L142-Q151 PolarHBondContact O-NE2 3.46Å; T145-Q151 PolarHBondContact O-NE2 3.46Å; T145-Q151 PolarHBondContact O-OE1 3.02Å; L148-Q151 HydrophobicContact CB-CB 4.08Å; Q151-C153 PolarHBondContact O-N 3.42Å; Q151-L154 CarbonylContact O-C 3.47Å; Q151-L154 WeakPolarHBondContact O-CA 3.28Å; Q151-L154 PolarHBondContact O-N 3.44Å; Q151-E155 PolarHBondContact O-N 2.91Å; Q151-E155 VanDerWaalsContact O-N 3.11Å; Q151-I158 HydrophobicContact CG-CD1 4.41Å
152D92.3Very high95.3Very high104 Ų10454.2 Ų54.256%0.55630%0.297SS*.G310 helixtrans-61.8-30.8-174.8-57.6-27.7000111.8R146 N150 L154R146-D152 IonicContact CZ-OD1 3.69Å; R146-D152 IonicContact CZ-OD2 3.71Å; R146-D152 VanDerWaalsContact NH1-CG 3.29Å; R146-D152 IonicContact NH1-OD1 3.07Å; R146-D152 PolarHBondContact NH1-OD1 3.34Å; R146-D152 IonicContact NH1-OD2 3.59Å; R146-D152 PolarHBondContact NH1-OD2 2.92Å; R146-D152 IonicContact NH2-OD1 2.71Å; R146-D152 PolarHBondContact NH2-OD1 3.47Å; R146-D152 IonicContact NH2-OD2 3.28Å; R146-D152 PolarHBondContact NH2-OD2 2.93Å; N150-D152 VanDerWaalsContact C-N 3.29Å; N150-D152 PolarHBondContact O-N 3.24Å; D152-L154 VanDerWaalsContact C-N 3.27Å; D152-L154 PolarHBondContact O-N 2.98Å
153C93.7Very high95.4Very high111 Ų11159.1 Ų59.175%0.7532%0.32SS*.G310 helixtrans-76.2-15176.1-58.60000113.4N150 Q151N150-C153 PolarHBondContact O-N 3.35Å; Q151-C153 PolarHBondContact O-N 3.42Å
154L95.6Very high95.6Very high1 Ų161.1 Ų61.11%0.00531%0.313CS..THydrogen-bonded Turntrans-113.8-5.6-171-62.1-179.2000113.6D115 T118 L148 Q151 D152 S156 K157 I158D115-L154 HydrophobicContact CB-CD2 3.57Å; T118-L154 HydrophobicContact CG2-CD1 4.41Å; L148-L154 HydrophobicContact CD1-CD1 3.84Å; Q151-L154 CarbonylContact O-C 3.47Å; Q151-L154 WeakPolarHBondContact O-CA 3.28Å; Q151-L154 PolarHBondContact O-N 3.44Å; D152-L154 VanDerWaalsContact C-N 3.27Å; D152-L154 PolarHBondContact O-N 2.98Å; L154-S156 PolarHBondContact O-N 2.96Å; L154-K157 HydrophobicContact CD2-CD 4.19Å; L154-K157 WeakPolarHBondContact O-CB 3.11Å; L154-K157 PolarHBondContact O-N 3.06Å; L154-I158 HydrophobicContact CB-CD1 4.1Å; L154-I158 HydrophobicContact CB-CG1 4.45Å; L154-I158 WeakPolarHBondContact O-CG1 3.47Å; L154-I158 PolarHBondContact O-N 3.02Å
155E96.1Very high95.8Very high48 Ų4855.7 Ų55.722%0.22429%0.288CS..Hα-helixtrans-52.3-49.9-173.7-161.9-179.1147.400112.7L142 Q151 K157 I158 M159L142-E155 HydrophobicContact CB-CG 4.31Å; L142-E155 HydrophobicContact CD1-CG 3.71Å; Q151-E155 PolarHBondContact O-N 2.91Å; Q151-E155 VanDerWaalsContact O-N 3.11Å; E155-K157 VanDerWaalsContact C-N 3.29Å; E155-K157 PolarHBondContact O-N 2.92Å; E155-I158 WeakPolarHBondContact O-CB 3.48Å; E155-I158 PolarHBondContact O-N 3.25Å; E155-I158 VanDerWaalsContact O-N 3.14Å; E155-M159 HydrophobicContact CG-CE 4.25Å; E155-M159 WeakPolarHBondContact O-CG 3.33Å; E155-M159 PolarHBondContact O-N 2.99Å
156S96.5Very high95.9Very high93 Ų9359.5 Ų59.565%0.6531%0.306SS*.Hα-helixtrans-60.8-36.3178.5-52.70000113.1L154 H160L154-S156 PolarHBondContact O-N 2.96Å; S156-H160 WeakPolarHBondContact O-CB 3.47Å; S156-H160 PolarHBondContact O-N 3.41Å
157K97.9Very high96Very high79 Ų7955.7 Ų55.734%0.34331%0.31SS..Hα-helixtrans-71.1-40.2176.5-66.8-177-179.7-178.50111.2D115 N116 A119 L154 E155 H160 F161D115-K157 IonicContact OD2-NZ 3.91Å; N116-K157 PolarHBondContact OD1-NZ 3.37Å; A119-K157 HydrophobicContact CB-CB 3.78Å; L154-K157 HydrophobicContact CD2-CD 4.19Å; L154-K157 WeakPolarHBondContact O-CB 3.11Å; L154-K157 PolarHBondContact O-N 3.06Å; E155-K157 VanDerWaalsContact C-N 3.29Å; E155-K157 PolarHBondContact O-N 2.92Å; K157-H160 PolarHBondContact O-N 3.07Å; K157-F161 WeakPolarHBondContact O-CD2 3.49Å; K157-F161 PolarHBondContact O-N 2.96Å
158I98.3Very high96Very high0 Ų060.1 Ų60.10%033%0.327CS..Hα-helixtrans-60.1-50.5177.4-67.8163.4000109.7A119 V122 L126 L142 L148 Q151 L154 E155 H160 F161 H162A119-I158 HydrophobicContact CB-CG1 3.84Å; V122-I158 HydrophobicContact CB-CD1 4.26Å; V122-I158 HydrophobicContact CB-CG1 4.24Å; V122-I158 HydrophobicContact CB-CG2 4.38Å; V122-I158 HydrophobicContact CG1-CD1 3.99Å; V122-I158 HydrophobicContact CG1-CG1 4.28Å; V122-I158 HydrophobicContact CG1-CG2 3.88Å; L126-I158 HydrophobicContact CD1-CG2 3.52Å; L126-I158 HydrophobicContact CG-CG2 4.44Å; L142-I158 HydrophobicContact CD1-CG2 4.05Å; L142-I158 HydrophobicContact CD2-CG2 4.34Å; L148-I158 HydrophobicContact CD1-CD1 4.34Å; Q151-I158 HydrophobicContact CG-CD1 4.41Å; L154-I158 HydrophobicContact CB-CD1 4.1Å; L154-I158 HydrophobicContact CB-CG1 4.45Å; L154-I158 WeakPolarHBondContact O-CG1 3.47Å; L154-I158 PolarHBondContact O-N 3.02Å; E155-I158 WeakPolarHBondContact O-CB 3.48Å; E155-I158 PolarHBondContact O-N 3.25Å; E155-I158 VanDerWaalsContact O-N 3.14Å; I158-H160 PolarHBondContact O-N 3.11Å; I158-F161 PolarHBondContact O-N 2.96Å; I158-H162 PolarHBondContact O-N 3.12Å
159M97.7Very high96Very high19 Ų1962 Ų629%0.09434%0.341CS..Hα-helixtrans-59.8-44.2177.4-69.9-171.6-69.300111.9F133 R139 L142 E155 F161 H162 Q163F133-M159 HydrophobicContact CE2-CB 3.97Å; F133-M159 HydrophobicContact CE2-CG 4.26Å; F133-M159 HydrophobicContact CZ-CB 4.49Å; R139-M159 HydrophobicContact CG-CE 4.24Å; R139-M159 HydrophobicContact CG-SD 3.46Å; R139-M159 WeakPolarHBondContact CG-SD 3.48Å; L142-M159 HydrophobicContact CD1-CG 4.22Å; E155-M159 HydrophobicContact CG-CE 4.25Å; E155-M159 WeakPolarHBondContact O-CG 3.33Å; E155-M159 PolarHBondContact O-N 2.99Å; M159-F161 VanDerWaalsContact C-N 3.31Å; M159-F161 PolarHBondContact O-N 2.97Å; M159-H162 PolarHBondContact O-N 3.11Å; M159-H162 VanDerWaalsContact O-N 3.14Å; M159-Q163 PolarHBondContact O-N 3.43Å
160H98.1Very high96.2Very high92 Ų9259.5 Ų59.543%0.42632%0.324SS..Hα-helixtrans-59.7-38.9178.1179.271.4000113.1S156 K157 I158 K164S156-H160 WeakPolarHBondContact O-CB 3.47Å; S156-H160 PolarHBondContact O-N 3.41Å; K157-H160 PolarHBondContact O-N 3.07Å; I158-H160 PolarHBondContact O-N 3.11Å; H160-K164 WeakPolarHBondContact NE2-CE 3.37Å; H160-K164 PolarHBondContact NE2-NZ 3.17Å
161F98.4Very high96.3Very high44 Ų4457 Ų5719%0.19331%0.313CS..Hα-helixtrans-72.7-38.5174.4-76.6-62.9000112.3A119 L120 S123 K157 I158 M159 Q163 K164 H165A119-F161 HydrophobicContact CB-CD2 4.02Å; A119-F161 HydrophobicContact CB-CE2 4.19Å; L120-F161 HydrophobicContact CB-CD2 4.27Å; L120-F161 HydrophobicContact CB-CE2 4.33Å; L120-F161 HydrophobicContact CB-CG 4.42Å; L120-F161 HydrophobicContact CD1-CB 4.39Å; L120-F161 HydrophobicContact CD1-CD1 3.85Å; L120-F161 HydrophobicContact CD1-CE1 4.3Å; L120-F161 HydrophobicContact CD1-CG 4.13Å; S123-F161 VanDerWaalsContact OG-CB 3.3Å; S123-F161 WeakPolarHBondContact OG-CB 3.39Å; K157-F161 WeakPolarHBondContact O-CD2 3.49Å; K157-F161 PolarHBondContact O-N 2.96Å; I158-F161 PolarHBondContact O-N 2.96Å; M159-F161 VanDerWaalsContact C-N 3.31Å; M159-F161 PolarHBondContact O-N 2.97Å; F161-Q163 VanDerWaalsContact C-N 3.3Å; F161-Q163 PolarHBondContact O-N 2.95Å; F161-K164 WeakPolarHBondContact O-CB 3.38Å; F161-K164 PolarHBondContact O-N 2.8Å; F161-H165 PolarHBondContact O-CD2 2.92Å; F161-H165 PolarHBondContact O-NE2 3.39Å
162H98.4Very high96.4Very high0 Ų061.7 Ų61.70%034%0.336CS..Hα-helixtrans-62.2-39.2-179.5-171.1-160.7000112Q127 G131 F133 D138 I158 M159 K164 H165Q127-H162 VanDerWaalsContact CA-NE2 3.34Å; Q127-H162 WeakPolarHBondContact CA-NE2 3.39Å; Q127-H162 PolarHBondContact N-NE2 3.17Å; Q127-H162 PolarHBondContact OE1-CD2 2.69Å; Q127-H162 VanDerWaalsContact OE1-CD2 3.24Å; Q127-H162 PolarHBondContact OE1-NE2 3.02Å; Q127-H162 VanDerWaalsContact OE1-NE2 3.11Å; G131-H162 PolarHBondContact O-CE1 2.96Å; G131-H162 PolarHBondContact O-NE2 3.37Å; F133-H162 HydrophobicContact CD2-CB 4.05Å; F133-H162 AromaticContact CD2-ND1 3.71Å; D138-H162 IonicContact OD1-CE1 3.63Å; D138-H162 IonicContact OD1-ND1 3.81Å; D138-H162 IonicContact OD2-CE1 3.22Å; D138-H162 PolarHBondContact OD2-CE1 3.27Å; D138-H162 IonicContact OD2-CG 3.47Å; D138-H162 IonicContact OD2-ND1 2.81Å; D138-H162 PolarHBondContact OD2-ND1 3.35Å; I158-H162 PolarHBondContact O-N 3.12Å; M159-H162 PolarHBondContact O-N 3.11Å; M159-H162 VanDerWaalsContact O-N 3.14Å; H162-K164 PolarHBondContact O-N 2.92Å; H162-H165 PolarHBondContact O-N 2.74Å
163Q98Very high96.7Very high105 Ų10556.7 Ų56.749%0.49131%0.309SS..G310 helixtrans-55.3-27173.7-169.3-178.416.700113.5F133 M159 F161 H165 I166F133-Q163 HydrophobicContact CD1-CB 4.01Å; F133-Q163 HydrophobicContact CD1-CG 4.01Å; F133-Q163 HydrophobicContact CE1-CB 4.36Å; F133-Q163 HydrophobicContact CE1-CG 4.35Å; F133-Q163 HydrophobicContact CG-CB 4.13Å; M159-Q163 PolarHBondContact O-N 3.43Å; F161-Q163 VanDerWaalsContact C-N 3.3Å; F161-Q163 PolarHBondContact O-N 2.95Å; Q163-H165 VanDerWaalsContact C-N 3.32Å; Q163-I166 WeakPolarHBondContact O-CD1 3.41Å; Q163-I166 WeakPolarHBondContact O-CG1 3.47Å
164K97.8Very high96.8Very high126 Ų12651.5 Ų51.555%0.54827%0.274SS..G310 helixtrans-84.5-4.8179.7-60.1-179-175178.80113.7H160 F161 H162H160-K164 WeakPolarHBondContact NE2-CE 3.37Å; H160-K164 PolarHBondContact NE2-NZ 3.17Å; F161-K164 WeakPolarHBondContact O-CB 3.38Å; F161-K164 PolarHBondContact O-N 2.8Å; H162-K164 PolarHBondContact O-N 2.92Å
165H97.4Very high96.8Very high6 Ų654.7 Ų54.73%0.02829%0.29CS..G310 helixtrans-100.94.9-176.3-59.3-35.3000113.7S123 H124 Q127 F161 H162 Q163 G167 R168S123-H165 PolarHBondContact OG-NE2 3.44Å; H124-H165 AromaticContact CE1-CE1 3.33Å; H124-H165 PolarHBondContact CE1-CE1 3.4Å; H124-H165 AromaticContact CE1-ND1 3.76Å; H124-H165 AromaticContact CE1-NE2 3.58Å; H124-H165 AromaticContact ND1-CD2 3.97Å; H124-H165 AromaticContact ND1-CE1 3.89Å; H124-H165 AromaticContact ND1-NE2 3.72Å; H124-H165 AromaticContact NE2-CE1 3.73Å; H124-H165 AromaticContact NE2-NE2 3.88Å; Q127-H165 HydrophobicContact CB-CB 4.2Å; Q127-H165 HydrophobicContact CG-CB 3.93Å; Q127-H165 PolarHBondContact NE2-O 2.84Å; Q127-H165 PolarHBondContact OE1-O 3.21Å; F161-H165 PolarHBondContact O-CD2 2.92Å; F161-H165 PolarHBondContact O-NE2 3.39Å; H162-H165 PolarHBondContact O-N 2.74Å; Q163-H165 VanDerWaalsContact C-N 3.32Å; H165-G167 PolarHBondContact O-N 3.47Å; H165-R168 PolarHBondContact ND1-NH1 3.44Å; H165-R168 WeakPolarHBondContact O-CB 3.44Å; H165-R168 VanDerWaalsContact O-CG 3.23Å; H165-R168 WeakPolarHBondContact O-CG 3.12Å; H165-R168 PolarHBondContact O-N 3.5Å
166I96.5Very high96.8Very high105 Ų10555.1 Ų55.154%0.53829%0.293SS..THydrogen-bonded Turntrans-49.7134.2-179.4-66170.2000111.3D132 Q163 R168D132-I166 WeakPolarHBondContact OD1-CA 3.38Å; Q163-I166 WeakPolarHBondContact O-CD1 3.41Å; Q163-I166 WeakPolarHBondContact O-CG1 3.47Å; I166-R168 VanDerWaalsContact C-N 3.3Å
167G95.7Very high96.9Very high60 Ų6050.7 Ų50.762%0.61926%0.263SS*.THydrogen-bonded Turntrans83.7-2.718000000114.4D132 H165D132-G167 PolarHBondContact OD1-N 2.96Å; H165-G167 PolarHBondContact O-N 3.47Å
168R96.3Very high96.8Very high95 Ų9547 Ų4736%0.35825%0.246SC..  trans-81.7133.1176.1-66.4179.6176.2-179-7.8111.1Q127 H165 I166Q127-R168 HydrophobicContact CG-CB 4.19Å; Q127-R168 PolarHBondContact NE2-O 3.36Å; H165-R168 PolarHBondContact ND1-NH1 3.44Å; H165-R168 WeakPolarHBondContact O-CB 3.44Å; H165-R168 VanDerWaalsContact O-CG 3.23Å; H165-R168 WeakPolarHBondContact O-CG 3.12Å; H165-R168 PolarHBondContact O-N 3.5Å; I166-R168 VanDerWaalsContact C-N 3.3Å
169S95.5Very high96.7Very high46 Ų4649.1 Ų49.132%0.32226%0.258SS..  trans-70.6160.8173.866.50000112.1A171 E172 S173S169-A171 VanDerWaalsContact C-N 3.28Å; S169-A171 PolarHBondContact O-N 2.72Å; S169-E172 WeakPolarHBondContact CB-OE2 3.36Å; S169-E172 PolarHBondContact N-OE2 3.01Å; S169-E172 PolarHBondContact O-N 2.91Å; S169-E172 VanDerWaalsContact OG-CD 3.26Å; S169-E172 VanDerWaalsContact OG-CG 3.24Å; S169-E172 WeakPolarHBondContact OG-CG 3.3Å; S169-E172 PolarHBondContact OG-N 3.28Å; S169-E172 PolarHBondContact OG-OE2 3.1Å; S169-S173 PolarHBondContact O-N 3.34Å; S169-S173 PolarHBondContact O-OG 3.47Å
170P95.7Very high96.7Very high42 Ų4249.5 Ų49.527%0.27326%0.261SS..Hα-helixtrans-58.3-37.7172.9-27.135.8000113.6S173 D174P170-S173 PolarHBondContact O-N 3.29Å; P170-D174 PolarHBondContact O-N 2.96Å
171A93.7Very high96.6Very high20 Ų2045.1 Ų45.117%0.16524%0.241CC..Hα-helixtrans-66.4-40.7179.400000112.4E92 S169 D174 I175E92-A171 HydrophobicContact CG-CB 4.17Å; S169-A171 VanDerWaalsContact C-N 3.28Å; S169-A171 PolarHBondContact O-N 2.72Å; A171-D174 PolarHBondContact O-N 2.77Å; A171-I175 WeakPolarHBondContact O-CG1 3.45Å; A171-I175 PolarHBondContact O-N 3.48Å
172E95.6Very high96.5Very high99 Ų9947.6 Ų47.646%0.46325%0.249SC..Hα-helixtrans-66.9-40.3174.3-71164.5142.200111.3S169 D174 I175 L176S169-E172 WeakPolarHBondContact CB-OE2 3.36Å; S169-E172 PolarHBondContact N-OE2 3.01Å; S169-E172 PolarHBondContact O-N 2.91Å; S169-E172 VanDerWaalsContact OG-CD 3.26Å; S169-E172 VanDerWaalsContact OG-CG 3.24Å; S169-E172 WeakPolarHBondContact OG-CG 3.3Å; S169-E172 PolarHBondContact OG-N 3.28Å; S169-E172 PolarHBondContact OG-OE2 3.1Å; E172-D174 VanDerWaalsContact C-N 3.34Å; E172-D174 PolarHBondContact O-N 3.39Å; E172-I175 PolarHBondContact O-N 2.93Å; E172-L176 WeakPolarHBondContact O-CG 3.38Å; E172-L176 PolarHBondContact O-N 3.04Å
173S97.2Very high96.3Very high0 Ų054.7 Ų54.70%028%0.28CS..Hα-helixtrans-64.1-38.2177.6-61.60000112.3Q127 S169 P170 L176 L177Q127-S173 WeakPolarHBondContact CG-OG 3.34Å; S169-S173 PolarHBondContact O-N 3.34Å; S169-S173 PolarHBondContact O-OG 3.47Å; P170-S173 PolarHBondContact O-N 3.29Å; S173-L176 PolarHBondContact O-N 3.14Å; S173-L177 WeakPolarHBondContact O-CB 3.45Å; S173-L177 PolarHBondContact O-N 3.06Å
174D96.2Very high96.1Very high1 Ų151 Ų511%0.00526%0.263CS..Hα-helixtrans-59.7-47.5172.4-75.4-12.8000111.6Y96 T99 P170 A171 E172 L176 L177 L178 R325Y96-D174 WeakPolarHBondContact CA-OD2 3.33Å; T99-D174 WeakPolarHBondContact CG2-OD1 3.36Å; T99-D174 WeakPolarHBondContact OG1-CB 3.46Å; T99-D174 VanDerWaalsContact OG1-CG 3.3Å; T99-D174 PolarHBondContact OG1-OD1 3.14Å; T99-D174 VanDerWaalsContact OG1-OD1 3.1Å; P170-D174 PolarHBondContact O-N 2.96Å; A171-D174 PolarHBondContact O-N 2.77Å; E172-D174 VanDerWaalsContact C-N 3.34Å; E172-D174 PolarHBondContact O-N 3.39Å; D174-L176 VanDerWaalsContact C-N 3.35Å; D174-L176 PolarHBondContact O-N 2.96Å; D174-L177 PolarHBondContact O-N 3.48Å; D174-L178 VanDerWaalsContact O-CG 3.26Å; D174-L178 WeakPolarHBondContact O-CG 3.42Å; D174-L178 PolarHBondContact O-N 2.84Å; D174-R325 IonicContact OD1-CZ 3.93Å; D174-R325 IonicContact OD1-NH2 2.65Å; D174-R325 PolarHBondContact OD1-NH2 3.23Å; D174-R325 IonicContact OD2-CZ 3.24Å; D174-R325 IonicContact OD2-NH2 3.95Å; D174-R325 PolarHBondContact OD2-NH2 3Å
175I95.6Very high95.8Very high69 Ų6951 Ų5135%0.35427%0.269SS..Hα-helixtrans-59.5-48.4179.6-68.7164.9000110.2A171 E172 L177 L178 D179A171-I175 WeakPolarHBondContact O-CG1 3.45Å; A171-I175 PolarHBondContact O-N 3.48Å; E172-I175 PolarHBondContact O-N 2.93Å; I175-L177 PolarHBondContact O-N 3.34Å; I175-L178 PolarHBondContact O-N 2.65Å; I175-D179 WeakPolarHBondContact O-CB 3.21Å; I175-D179 PolarHBondContact O-N 3.19Å
176L96.8Very high95.7Very high56 Ų5651.1 Ų51.129%0.29327%0.27SS..Hα-helixtrans-63.9-40.6-179.8-67.6173.3000112.2E172 S173 D174 L178 D179 V180E172-L176 WeakPolarHBondContact O-CG 3.38Å; E172-L176 PolarHBondContact O-N 3.04Å; S173-L176 PolarHBondContact O-N 3.14Å; D174-L176 VanDerWaalsContact C-N 3.35Å; D174-L176 PolarHBondContact O-N 2.96Å; L176-L178 VanDerWaalsContact C-N 3.35Å; L176-L178 PolarHBondContact O-N 3.05Å; L176-D179 PolarHBondContact O-N 2.62Å; L176-V180 WeakPolarHBondContact O-CG2 3.42Å; L176-V180 PolarHBondContact O-N 3.3Å
177L97.8Very high95.6Very high1 Ų147.1 Ų47.11%0.00525%0.248CC..Hα-helixtrans-58.5-47.8173.3174.866.2000111.3T99 I102 M121 H124 I125 S173 D174 I175 D179 V180 A181T99-L177 HydrophobicContact CG2-CD2 3.4Å; T99-L177 VanDerWaalsContact CG2-CD2 3.4Å; I102-L177 HydrophobicContact CG2-CD1 4.29Å; I102-L177 HydrophobicContact CG2-CD2 4.41Å; I102-L177 HydrophobicContact CG2-CG 4.38Å; M121-L177 HydrophobicContact CB-CD1 3.59Å; M121-L177 HydrophobicContact CE-CD1 3.81Å; M121-L177 HydrophobicContact CG-CD1 3.89Å; M121-L177 WeakPolarHBondContact O-CD1 3.48Å; H124-L177 HydrophobicContact CB-CB 4.02Å; I125-L177 HydrophobicContact CD1-CD2 4.31Å; I125-L177 HydrophobicContact CG1-CD1 4.4Å; I125-L177 HydrophobicContact CG1-CD2 3.73Å; S173-L177 WeakPolarHBondContact O-CB 3.45Å; S173-L177 PolarHBondContact O-N 3.06Å; D174-L177 PolarHBondContact O-N 3.48Å; I175-L177 PolarHBondContact O-N 3.34Å; L177-D179 VanDerWaalsContact C-N 3.3Å; L177-D179 PolarHBondContact O-N 2.87Å; L177-V180 PolarHBondContact O-N 3.23Å; L177-A181 WeakPolarHBondContact O-CB 3.39Å; L177-A181 PolarHBondContact O-N 3.15Å
178L97.4Very high95.5Very high0 Ų044.4 Ų44.40%022%0.22CC..Hα-helixtrans-65.9-34.5179.8-65.8176000112P86 L89 R95 F98 I102 D174 I175 L176 A181 R182P86-L178 HydrophobicContact CB-CB 3.82Å; P86-L178 HydrophobicContact CB-CD1 4.23Å; P86-L178 HydrophobicContact CG-CB 4.1Å; L89-L178 HydrophobicContact CD1-CD1 4.32Å; R95-L178 HydrophobicContact CB-CD1 4.08Å; R95-L178 HydrophobicContact CG-CD1 4.28Å; F98-L178 HydrophobicContact CB-CD1 4.14Å; F98-L178 HydrophobicContact CB-CD2 3.81Å; I102-L178 HydrophobicContact CG1-CD2 4.02Å; D174-L178 VanDerWaalsContact O-CG 3.26Å; D174-L178 WeakPolarHBondContact O-CG 3.42Å; D174-L178 PolarHBondContact O-N 2.84Å; I175-L178 PolarHBondContact O-N 2.65Å; L176-L178 VanDerWaalsContact C-N 3.35Å; L176-L178 PolarHBondContact O-N 3.05Å; L178-A181 PolarHBondContact O-N 3.26Å; L178-R182 WeakPolarHBondContact O-CB 3.4Å; L178-R182 PolarHBondContact O-N 3.43Å
179D95.9Very high95.4Very high46 Ų4640.7 Ų40.725%0.24621%0.207CC..Hα-helixtrans-67-33.4174.9-94.5-33.6000113.8I175 L176 L177 R182 K183I175-D179 WeakPolarHBondContact O-CB 3.21Å; I175-D179 PolarHBondContact O-N 3.19Å; L176-D179 PolarHBondContact O-N 2.62Å; L177-D179 VanDerWaalsContact C-N 3.3Å; L177-D179 PolarHBondContact O-N 2.87Å; D179-R182 WeakPolarHBondContact O-CG 3.32Å; D179-R182 IonicContact OD1-CZ 2.71Å; D179-R182 IonicContact OD1-NE 3.6Å; D179-R182 PolarHBondContact OD1-NE 3.25Å; D179-R182 IonicContact OD1-NH2 2.7Å; D179-R182 PolarHBondContact OD1-NH2 2.9Å; D179-K183 WeakPolarHBondContact O-CD 2.93Å; D179-K183 VanDerWaalsContact O-CE 3.29Å; D179-K183 WeakPolarHBondContact O-CE 3.15Å; D179-K183 WeakPolarHBondContact O-CG 3.42Å
180V96.7Very high95.4Very high26 Ų2641 Ų4116%0.15820%0.202CC..Hα-helixtrans-73.6-48.6170.31780000109.6L120 M121 L176 L177 R182 K183L120-V180 HydrophobicContact CD2-CG2 4.17Å; M121-V180 HydrophobicContact CG-CB 4.24Å; M121-V180 HydrophobicContact CG-CG1 3.64Å; M121-V180 HydrophobicContact SD-CG1 4.1Å; L176-V180 WeakPolarHBondContact O-CG2 3.42Å; L176-V180 PolarHBondContact O-N 3.3Å; L177-V180 PolarHBondContact O-N 3.23Å; V180-R182 PolarHBondContact O-N 3.4Å; V180-K183 WeakPolarHBondContact O-CB 3.18Å; V180-K183 PolarHBondContact O-N 3Å
181A96.8Very high95.3Very high0 Ų041.7 Ų41.70%021%0.206CC..Hα-helixtrans-58-43.9-175.400000112.7I102 M121 L177 L178 K183 L184 Y187I102-A181 HydrophobicContact CD1-CB 4.15Å; I102-A181 HydrophobicContact CG1-CB 4.19Å; I102-A181 HydrophobicContact CG2-CB 4.16Å; M121-A181 HydrophobicContact CE-CB 3.68Å; L177-A181 WeakPolarHBondContact O-CB 3.39Å; L177-A181 PolarHBondContact O-N 3.15Å; L178-A181 PolarHBondContact O-N 3.26Å; A181-K183 PolarHBondContact O-N 3.31Å; A181-K183 VanDerWaalsContact O-N 3.1Å; A181-L184 WeakPolarHBondContact O-CB 3.41Å; A181-L184 WeakPolarHBondContact O-CG 3.31Å; A181-L184 PolarHBondContact O-N 3.48Å; A181-Y187 HydrophobicContact CB-CD2 3.97Å; A181-Y187 HydrophobicContact CB-CE2 4.12Å; A181-Y187 WeakPolarHBondContact O-CB 3.43Å
182R94.9Very high95.4Very high96 Ų9643.4 Ų43.436%0.36221%0.21SC..THydrogen-bonded Turntrans-61.9-20.5-177.474.4-172.7176.492.4-7.8114.6L178 D179 V180 L184 Y187L178-R182 WeakPolarHBondContact O-CB 3.4Å; L178-R182 PolarHBondContact O-N 3.43Å; D179-R182 WeakPolarHBondContact O-CG 3.32Å; D179-R182 IonicContact OD1-CZ 2.71Å; D179-R182 IonicContact OD1-NE 3.6Å; D179-R182 PolarHBondContact OD1-NE 3.25Å; D179-R182 IonicContact OD1-NH2 2.7Å; D179-R182 PolarHBondContact OD1-NH2 2.9Å; V180-R182 PolarHBondContact O-N 3.4Å; R182-L184 VanDerWaalsContact C-N 3.29Å; R182-Y187 HydrophobicContact CB-CD1 4.26Å; R182-Y187 HydrophobicContact CB-CE1 4.13Å
183K94.4Very high95.4Very high150 Ų15042.6 Ų42.665%0.65221%0.213SC*.THydrogen-bonded Turntrans-81.4-11.8179.3-62.2172.8-175.7174.80112.1D179 V180 A181D179-K183 WeakPolarHBondContact O-CD 2.93Å; D179-K183 VanDerWaalsContact O-CE 3.29Å; D179-K183 WeakPolarHBondContact O-CE 3.15Å; D179-K183 WeakPolarHBondContact O-CG 3.42Å; V180-K183 WeakPolarHBondContact O-CB 3.18Å; V180-K183 PolarHBondContact O-N 3Å; A181-K183 PolarHBondContact O-N 3.31Å; A181-K183 VanDerWaalsContact O-N 3.1Å
184L93.9Very high95.4Very high27 Ų2742.7 Ų42.714%0.14121%0.214CC..SBendtrans-78.9136178.5-57.2-175.7000110.8L111 C113 M121 A181 R182 M186 Y187L111-L184 HydrophobicContact CB-CD1 4.13Å; L111-L184 HydrophobicContact CD2-CD1 4.48Å; C113-L184 HydrophobicContact CB-CD1 4.09Å; C113-L184 HydrophobicContact CB-CD2 3.61Å; C113-L184 HydrophobicContact CB-CG 4.5Å; M121-L184 HydrophobicContact CE-CD1 4.4Å; M121-L184 HydrophobicContact SD-CD1 3.87Å; A181-L184 WeakPolarHBondContact O-CB 3.41Å; A181-L184 WeakPolarHBondContact O-CG 3.31Å; A181-L184 PolarHBondContact O-N 3.48Å; R182-L184 VanDerWaalsContact C-N 3.29Å; L184-M186 PolarHBondContact O-N 2.96Å; L184-M186 VanDerWaalsContact O-N 3.13Å; L184-Y187 WeakPolarHBondContact O-CB 3.45Å; L184-Y187 PolarHBondContact O-N 3.14Å
185D91.6Very high95.4Very high125 Ų12543.6 Ų43.667%0.66822%0.221SC*.THydrogen-bonded Turntrans-57.8-31.5-179.8-78.6-28.7000113.5I189D185-I189 WeakPolarHBondContact O-CG1 3.27Å
186M94.9Very high95.3Very high9 Ų942 Ų424%0.04421%0.213CC..THydrogen-bonded Turntrans-92.65.7-178.2-62.1-56.4-65.800113.5L111 P112 L184 G188 I189 P191 L214 N217L111-M186 HydrophobicContact CD2-CB 4.45Å; P112-M186 HydrophobicContact CG-CB 4.4Å; P112-M186 HydrophobicContact CG-CG 3.82Å; L184-M186 PolarHBondContact O-N 2.96Å; L184-M186 VanDerWaalsContact O-N 3.13Å; M186-G188 PolarHBondContact O-N 3.26Å; M186-I189 HydrophobicContact CE-CB 4.12Å; M186-I189 HydrophobicContact CE-CG2 3.85Å; M186-I189 PolarHBondContact O-N 3.07Å; M186-I189 VanDerWaalsContact O-N 3.1Å; M186-I189 HydrophobicContact SD-CG2 4.39Å; M186-P191 HydrophobicContact CE-CG 3.87Å; M186-L214 HydrophobicContact SD-CD2 4.08Å; M186-N217 HydrophobicContact CG-CB 4.36Å; M186-N217 HydrophobicContact SD-CB 4.27Å
187Y94.9Very high94.7Very high22 Ų2242.7 Ų42.79%0.08623%0.234CC..THydrogen-bonded Turntrans-59119.1177.6175-106.8000112F82 I102 A181 R182 L184 I189F82-Y187 HydrophobicContact CB-CE1 4.02Å; F82-Y187 HydrophobicContact CD1-CE1 4.23Å; F82-Y187 HydrophobicContact CD1-CE2 4Å; F82-Y187 AromaticContact CD1-CZ 3.79Å; I102-Y187 HydrophobicContact CD1-CD2 3.93Å; I102-Y187 HydrophobicContact CD1-CE2 3.76Å; A181-Y187 HydrophobicContact CB-CD2 3.97Å; A181-Y187 HydrophobicContact CB-CE2 4.12Å; A181-Y187 WeakPolarHBondContact O-CB 3.43Å; R182-Y187 HydrophobicContact CB-CD1 4.26Å; R182-Y187 HydrophobicContact CB-CE1 4.13Å; L184-Y187 WeakPolarHBondContact O-CB 3.45Å; L184-Y187 PolarHBondContact O-N 3.14Å; Y187-I189 PolarHBondContact O-N 3.35Å
188G93.5Very high94.3Very high3 Ų351.1 Ų51.13%0.03127%0.273CS..THydrogen-bonded Turntrans65.46.2-178.700000114.9F82 M186F82-G188 VanDerWaalsContact CD2-CA 3.42Å; M186-G188 PolarHBondContact O-N 3.26Å
189I95.2Very high94Very high16 Ų1653.2 Ų53.28%0.08230%0.295CS..  trans-83.1127.6-179.5-56.9-47.3000109.2D185 M186 Y187 P191 A205 A207 L212 L214D185-I189 WeakPolarHBondContact O-CG1 3.27Å; M186-I189 HydrophobicContact CE-CB 4.12Å; M186-I189 HydrophobicContact CE-CG2 3.85Å; M186-I189 PolarHBondContact O-N 3.07Å; M186-I189 VanDerWaalsContact O-N 3.1Å; M186-I189 HydrophobicContact SD-CG2 4.39Å; Y187-I189 PolarHBondContact O-N 3.35Å; I189-P191 HydrophobicContact CG2-CG 4.3Å; I189-A205 HydrophobicContact CG2-CB 3.62Å; I189-A207 HydrophobicContact CD1-CB 4.08Å; I189-L212 HydrophobicContact CD1-CD1 3.54Å; I189-L212 HydrophobicContact CG1-CD1 4.36Å; I189-L214 HydrophobicContact CG2-CD1 3.96Å
190R94.2Very high93.9Very high54 Ų5455 Ų5520%0.20430%0.303CS..  trans-119.695.4175.6-60-59.9-176.9-121.64.8109.1D105 H192D105-R190 VanDerWaalsContact CG-NH2 3.31Å; D105-R190 IonicContact OD1-CZ 2.63Å; D105-R190 IonicContact OD1-NH1 3.47Å; D105-R190 IonicContact OD1-NH2 3.54Å; D105-R190 PolarHBondContact OD1-NH2 3.07Å; D105-R190 VanDerWaalsContact OD1-NH2 3.07Å; D105-R190 IonicContact OD2-CZ 3.25Å; D105-R190 VanDerWaalsContact OD2-CZ 3.28Å; D105-R190 IonicContact OD2-NH1 3.54Å; D105-R190 PolarHBondContact OD2-NH1 3.45Å; D105-R190 IonicContact OD2-NH2 3.45Å; D105-R190 PolarHBondContact OD2-NH2 3.37Å; R190-H192 PolarHBondContact O-CD2 3.29Å; R190-H192 VanDerWaalsContact O-CD2 3.24Å
191P94.9Very high93.9Very high55 Ų5560 Ų6036%0.35733%0.325SS..  trans-70.9138.8-177.1-17.131000112.4M186 I189 H203 L204 L214M186-P191 HydrophobicContact CE-CG 3.87Å; I189-P191 HydrophobicContact CG2-CG 4.3Å; P191-H203 HydrophobicContact CB-CB 3.65Å; P191-L204 CarbonylContact C-O 3.56Å; P191-L214 HydrophobicContact CB-CD1 4.46Å
192H94.7Very high93.9Very high56 Ų5660.3 Ų60.326%0.25933%0.326SS..EExtended strand (participates in β ladder)trans-117.1121.5173.5-67-91.2000109.3R190 A194 H203 L204 M258 F267R190-H192 PolarHBondContact O-CD2 3.29Å; R190-H192 VanDerWaalsContact O-CD2 3.24Å; H192-A194 PolarHBondContact O-N 2.87Å; H192-H203 CarbonylContact O-C 3.57Å; H192-H203 VanDerWaalsContact O-CA 3.31Å; H192-H203 WeakPolarHBondContact O-CA 3.44Å; H192-L204 WeakPolarHBondContact CB-O 3.46Å; H192-L204 PolarHBondContact N-O 3.01Å; H192-L204 PolarHBondContact O-N 3.2Å; H192-M258 HydrophobicContact CB-CE 3.79Å; H192-F267 HydrophobicContact CB-CD2 4.14Å; H192-F267 HydrophobicContact CB-CE2 4.47Å; H192-F267 AromaticContact CD2-CD2 3.46Å; H192-F267 VanDerWaalsContact CD2-CD2 3.46Å; H192-F267 WeakPolarHBondContact CD2-CD2 3.15Å; H192-F267 AromaticContact CD2-CE2 3.73Å; H192-F267 AromaticContact CG-CD2 3.78Å; H192-F267 AromaticContact NE2-CD2 3.99Å
193P95.2Very high94.1Very high82 Ų8258.6 Ų58.653%0.53232%0.322SS..EExtended strand (participates in β ladder)trans-57.4133.1179.4-25.834.3000112.6
194A97Very high94.2Very high2 Ų251.5 Ų51.52%0.01729%0.291CS..EExtended strand (participates in β ladder)trans-152.5174.6178.600000111.3H192 I202 L204 T257 M258H192-A194 PolarHBondContact O-N 2.87Å; A194-I202 CarbonylContact C-O 3.59Å; A194-I202 HydrophobicContact CB-CG1 4.29Å; A194-I202 PolarHBondContact N-O 3.46Å; A194-I202 CarbonylContact O-C 3.54Å; A194-I202 WeakPolarHBondContact O-CG1 3.43Å; A194-I202 PolarHBondContact O-N 2.88Å; A194-L204 HydrophobicContact CB-CD1 4.01Å; A194-L204 HydrophobicContact CB-CG 3.86Å; A194-T257 CarbonylContact C-O 3.39Å; A194-T257 WeakPolarHBondContact CA-O 3.5Å; A194-M258 HydrophobicContact CB-CG 4.25Å
195S96.9Very high94.4Very high20 Ų2050.2 Ų50.214%0.1429%0.285CS..EExtended strand (participates in β ladder)trans-130.5146.3169.8-41.90000109.6M200 Q201 F256 T257S195-M200 WeakPolarHBondContact CA-O 3.46Å; S195-Q201 PolarHBondContact OG-NE2 3.02Å; S195-Q201 PolarHBondContact OG-OE1 3.33Å; S195-F256 CarbonylContact O-C 3.39Å; S195-F256 VanDerWaalsContact O-CA 3.29Å; S195-F256 WeakPolarHBondContact O-CA 3.35Å; S195-T257 PolarHBondContact N-O 3.48Å; S195-T257 PolarHBondContact O-N 3Å
196D93.4Very high94.6Very high35 Ų3544.5 Ų44.519%0.18725%0.254CS..  trans-75.9-174.4173.466.99.7000112.1E198 G199 M200 I202 F256D196-E198 PolarHBondContact O-N 3.3Å; D196-E198 WeakPolarHBondContact OD1-CA 3.44Å; D196-E198 PolarHBondContact OD1-N 3.36Å; D196-G199 PolarHBondContact O-N 2.94Å; D196-G199 PolarHBondContact OD1-N 3.2Å; D196-M200 PolarHBondContact N-O 3.29Å; D196-M200 VanDerWaalsContact N-O 3.17Å; D196-M200 WeakPolarHBondContact OD1-CB 3.47Å; D196-M200 PolarHBondContact OD1-N 2.85Å; D196-M200 WeakPolarHBondContact OD2-CB 3.36Å; D196-I202 HydrophobicContact CB-CD1 4.2Å; D196-F256 HydrophobicContact CB-CD1 4.4Å; D196-F256 HydrophobicContact CB-CE1 4.43Å
197G85.6Confident94.7Very high72 Ų7244.4 Ų44.474%0.74226%0.255SS*.THydrogen-bonded Turntrans-66.8-13177.800000114.5
198E88.9Confident94.6Very high177 Ų17746 Ų4683%0.82726%0.263SS*.THydrogen-bonded Turntrans-101.7-6.6179.4-61.4-179.8-173.300112D196D196-E198 PolarHBondContact O-N 3.3Å; D196-E198 WeakPolarHBondContact OD1-CA 3.44Å; D196-E198 PolarHBondContact OD1-N 3.36Å
199G90.1Very high94.6Very high45 Ų4548.7 Ų48.746%0.46428%0.276SS..  trans90.45.7179.600000114.5D196 Q201D196-G199 PolarHBondContact O-N 2.94Å; D196-G199 PolarHBondContact OD1-N 3.2Å; G199-Q201 PolarHBondContact O-N 3.48Å; G199-Q201 PolarHBondContact O-NE2 3.33Å
200M94.6Very high94.6Very high82 Ų8248 Ų4840%0.40427%0.272SS..  trans-65.3130.1175.4-172.1-179.2-6300110S195 D196 I202S195-M200 WeakPolarHBondContact CA-O 3.46Å; D196-M200 PolarHBondContact N-O 3.29Å; D196-M200 VanDerWaalsContact N-O 3.17Å; D196-M200 WeakPolarHBondContact OD1-CB 3.47Å; D196-M200 PolarHBondContact OD1-N 2.85Å; D196-M200 WeakPolarHBondContact OD2-CB 3.36Å; M200-I202 HydrophobicContact CG-CG2 4.35Å; M200-I202 PolarHBondContact O-N 3.47Å
201Q96.8Very high94.8Very high132 Ų13245.4 Ų45.462%0.61726%0.262SS*.EExtended strand (participates in β ladder)trans-72.4123.9175.9-61.7-53.7-5300110.6S195 G199S195-Q201 PolarHBondContact OG-NE2 3.02Å; S195-Q201 PolarHBondContact OG-OE1 3.33Å; G199-Q201 PolarHBondContact O-N 3.48Å; G199-Q201 PolarHBondContact O-NE2 3.33Å
202I97.1Very high94.9Very high6 Ų643 Ų433%0.03125%0.247CC..EExtended strand (participates in β ladder)trans-139.3174.8-177.355.9163.3000109.3A194 D196 M200 L204 V213 L214 F256A194-I202 CarbonylContact C-O 3.59Å; A194-I202 HydrophobicContact CB-CG1 4.29Å; A194-I202 PolarHBondContact N-O 3.46Å; A194-I202 CarbonylContact O-C 3.54Å; A194-I202 WeakPolarHBondContact O-CG1 3.43Å; A194-I202 PolarHBondContact O-N 2.88Å; D196-I202 HydrophobicContact CB-CD1 4.2Å; M200-I202 HydrophobicContact CG-CG2 4.35Å; M200-I202 PolarHBondContact O-N 3.47Å; I202-L204 HydrophobicContact CD1-CD2 4.27Å; I202-V213 HydrophobicContact CB-CG1 4.31Å; I202-V213 HydrophobicContact CD1-CG1 3.8Å; I202-V213 HydrophobicContact CG2-CG1 4.4Å; I202-L214 CarbonylContact C-O 3.57Å; I202-L214 WeakPolarHBondContact CA-O 3.2Å; I202-F256 HydrophobicContact CD1-CD1 3.58Å; I202-F256 HydrophobicContact CD1-CE1 3.76Å
203H97.3Very high95Very high61 Ų6140.9 Ų40.928%0.28224%0.237SC..EExtended strand (participates in β ladder)trans-122.4140.2167-57.385.8000110.3P191 H192 L214P191-H203 HydrophobicContact CB-CB 3.65Å; H192-H203 CarbonylContact O-C 3.57Å; H192-H203 VanDerWaalsContact O-CA 3.31Å; H192-H203 WeakPolarHBondContact O-CA 3.44Å; H203-L214 HydrophobicContact CB-CB 4.24Å; H203-L214 HydrophobicContact CB-CD1 4.49Å; H203-L214 PolarHBondContact N-O 2.79Å; H203-L214 PolarHBondContact O-N 3.29Å
204L97.7Very high95.1Very high0 Ų037.1 Ų37.10%021%0.213CC..EExtended strand (participates in β ladder)trans-99.3140.3169.3-61.3178.9000109.7P191 H192 A194 I202 L212 V213 F238 F256 F267P191-L204 CarbonylContact C-O 3.56Å; H192-L204 WeakPolarHBondContact CB-O 3.46Å; H192-L204 PolarHBondContact N-O 3.01Å; H192-L204 PolarHBondContact O-N 3.2Å; A194-L204 HydrophobicContact CB-CD1 4.01Å; A194-L204 HydrophobicContact CB-CG 3.86Å; I202-L204 HydrophobicContact CD1-CD2 4.27Å; L204-L212 WeakPolarHBondContact CA-O 3.27Å; L204-V213 HydrophobicContact CD2-CG2 3.92Å; L204-F238 HydrophobicContact CD1-CD1 4.19Å; L204-F256 HydrophobicContact CD1-CB 3.79Å; L204-F256 HydrophobicContact CD1-CD2 4.27Å; L204-F256 HydrophobicContact CD1-CG 4Å; L204-F256 HydrophobicContact CD2-CD1 4.13Å; L204-F256 HydrophobicContact CD2-CD2 4.34Å; L204-F256 HydrophobicContact CD2-CE1 4.28Å; L204-F256 HydrophobicContact CD2-CG 4.13Å; L204-F256 HydrophobicContact CD2-CZ 4.48Å; L204-F267 HydrophobicContact CB-CE1 3.94Å; L204-F267 HydrophobicContact CB-CE2 3.84Å; L204-F267 HydrophobicContact CB-CZ 3.45Å; L204-F267 VanDerWaalsContact CB-CZ 3.45Å; L204-F267 HydrophobicContact CD1-CD1 4.39Å; L204-F267 HydrophobicContact CD1-CE1 3.91Å; L204-F267 HydrophobicContact CD1-CZ 4.3Å; L204-F267 HydrophobicContact CG-CZ 4.48Å
205A97.5Very high95Very high0 Ų044.5 Ų44.50%024%0.24CC..EExtended strand (participates in β ladder)trans-136.3165.2169.900000110.3I189 L212 L214I189-A205 HydrophobicContact CG2-CB 3.62Å; A205-L212 HydrophobicContact CB-CB 4.29Å; A205-L212 PolarHBondContact N-O 3.15Å; A205-L212 PolarHBondContact O-N 3.47Å; A205-L214 HydrophobicContact CB-CD1 3.65Å
206V97.1Very high94.6Very high6 Ų645.7 Ų45.74%0.03626%0.255CS..EExtended strand (participates in β ladder)trans-119.9134.7176-168.80000108.5W225 F267 T270 C271 Y274V206-W225 HydrophobicContact CG1-CH2 3.65Å; V206-W225 HydrophobicContact CG1-CZ2 3.67Å; V206-F267 HydrophobicContact CG2-CD2 4.19Å; V206-F267 HydrophobicContact CG2-CE1 4.4Å; V206-F267 HydrophobicContact CG2-CE2 3.48Å; V206-F267 VanDerWaalsContact CG2-CE2 3.48Å; V206-F267 HydrophobicContact CG2-CZ 3.58Å; V206-T270 HydrophobicContact CB-CG2 4.14Å; V206-T270 HydrophobicContact CG2-CG2 4.01Å; V206-C271 VanDerWaalsContact CG2-SG 3.54Å; V206-Y274 HydrophobicContact CB-CD1 4.48Å; V206-Y274 HydrophobicContact CB-CD2 4.41Å; V206-Y274 HydrophobicContact CB-CG 4.28Å; V206-Y274 VanDerWaalsContact CG1-CB 3.5Å; V206-Y274 HydrophobicContact CG1-CD1 3.86Å; V206-Y274 HydrophobicContact CG1-CD2 4.04Å; V206-Y274 HydrophobicContact CG1-CG 3.54Å
207A95.4Very high94.4Very high7 Ų748.4 Ų48.46%0.05827%0.27CS..EExtended strand (participates in β ladder)trans-136.4172.9177.900000110.7I189 M209 G210 L212 W225I189-A207 HydrophobicContact CD1-CB 4.08Å; A207-M209 HydrophobicContact CB-CG 4.24Å; A207-M209 PolarHBondContact O-N 3.22Å; A207-M209 VanDerWaalsContact O-N 3.12Å; A207-G210 PolarHBondContact N-O 3.26Å; A207-G210 PolarHBondContact O-N 2.86Å; A207-G210 VanDerWaalsContact O-N 3.16Å; A207-L212 HydrophobicContact CB-CD1 3.92Å; A207-L212 HydrophobicContact CB-CG 4.22Å; A207-W225 WeakPolarHBondContact O-CZ2 3.39Å; A207-W225 PolarHBondContact O-NE1 3.17Å
208H93.5Very high94.7Very high55 Ų5549.7 Ų49.726%0.25526%0.263SS..THydrogen-bonded Turntrans-54.9-30.217767.5-88000113V84 W225 F278V84-H208 HydrophobicContact CG2-CB 4.28Å; V84-H208 WeakPolarHBondContact CG2-CD2 3.31Å; V84-H208 VanDerWaalsContact CG2-CE1 3.5Å; V84-H208 WeakPolarHBondContact CG2-CE1 3.32Å; V84-H208 VanDerWaalsContact CG2-CG 3.43Å; V84-H208 VanDerWaalsContact CG2-NE2 3.27Å; V84-H208 WeakPolarHBondContact CG2-NE2 3.42Å; H208-W225 PolarHBondContact O-NE1 3.09Å; H208-F278 HydrophobicContact CB-CD1 3.71Å; H208-F278 HydrophobicContact CB-CD2 3.91Å; H208-F278 HydrophobicContact CB-CE1 3.8Å; H208-F278 HydrophobicContact CB-CE2 3.96Å; H208-F278 HydrophobicContact CB-CG 3.8Å; H208-F278 HydrophobicContact CB-CZ 3.92Å
209M93.4Very high95Very high60 Ų6045.7 Ų45.730%0.29624%0.243SC..THydrogen-bonded Turntrans-83.5-25.1-17963.4-177.470.300114.3A207 L212 T222 N224 W225A207-M209 HydrophobicContact CB-CG 4.24Å; A207-M209 PolarHBondContact O-N 3.22Å; A207-M209 VanDerWaalsContact O-N 3.12Å; M209-L212 HydrophobicContact CG-CD2 4.11Å; M209-L212 HydrophobicContact SD-CD2 4Å; M209-T222 HydrophobicContact CG-CG2 3.92Å; M209-T222 HydrophobicContact SD-CG2 3.76Å; M209-N224 VanDerWaalsContact O-CA 3.29Å; M209-N224 WeakPolarHBondContact O-CA 3.5Å; M209-W225 PolarHBondContact O-N 2.7Å; M209-W225 VanDerWaalsContact O-N 3.14Å
210G96Very high95.1Very high0 Ų048.1 Ų48.10%024%0.244CC..EExtended strand (participates in β ladder)trans159.1-163.8-169.400000115.5A207 F223 W225A207-G210 PolarHBondContact N-O 3.26Å; A207-G210 PolarHBondContact O-N 2.86Å; A207-G210 VanDerWaalsContact O-N 3.16Å; G210-F223 CarbonylContact C-O 3.6Å; G210-F223 WeakPolarHBondContact CA-O 3.21Å; G210-W225 VanDerWaalsContact N-NE1 3.16Å
211V97.9Very high95.1Very high0 Ų047.6 Ų47.60%024%0.243CC..EExtended strand (participates in β ladder)trans-91.6125.9169.9-179.40000109.1F223 W225 I228 I240 F267V211-F223 HydrophobicContact CB-CB 4.37Å; V211-F223 HydrophobicContact CB-CD2 4.45Å; V211-F223 PolarHBondContact N-O 2.81Å; V211-F223 PolarHBondContact O-N 2.61Å; V211-W225 HydrophobicContact CG2-CH2 4.01Å; V211-W225 HydrophobicContact CG2-CZ3 3.97Å; V211-I228 HydrophobicContact CG2-CD1 4.2Å; V211-I240 HydrophobicContact CB-CD1 4.2Å; V211-I240 HydrophobicContact CG1-CD1 4.02Å; V211-F267 HydrophobicContact CG1-CE1 4.19Å; V211-F267 HydrophobicContact CG1-CZ 4.02Å
212L97.3Very high95.1Very high6 Ų643.1 Ų43.13%0.03123%0.225CC..EExtended strand (participates in β ladder)trans-99.8143.5-178.9-50.2-177.1000110.8I189 L204 A205 A207 M209 L214 K219 T222I189-L212 HydrophobicContact CD1-CD1 3.54Å; I189-L212 HydrophobicContact CG1-CD1 4.36Å; L204-L212 WeakPolarHBondContact CA-O 3.27Å; A205-L212 HydrophobicContact CB-CB 4.29Å; A205-L212 PolarHBondContact N-O 3.15Å; A205-L212 PolarHBondContact O-N 3.47Å; A207-L212 HydrophobicContact CB-CD1 3.92Å; A207-L212 HydrophobicContact CB-CG 4.22Å; M209-L212 HydrophobicContact CG-CD2 4.11Å; M209-L212 HydrophobicContact SD-CD2 4Å; L212-L214 HydrophobicContact CB-CD1 4.48Å; L212-K219 HydrophobicContact CD2-CD 4.22Å; L212-T222 HydrophobicContact CD2-CG2 3.76Å; L212-T222 WeakPolarHBondContact CD2-OG1 3.33Å
213V97.1Very high95Very high10 Ų1043.7 Ų43.76%0.06123%0.227CC..EExtended strand (participates in β ladder)trans-112.8123.9168.4-177.10000108.3I202 L204 I220 N221 F223 F256I202-V213 HydrophobicContact CB-CG1 4.31Å; I202-V213 HydrophobicContact CD1-CG1 3.8Å; I202-V213 HydrophobicContact CG2-CG1 4.4Å; L204-V213 HydrophobicContact CD2-CG2 3.92Å; V213-I220 PolarHBondContact O-N 2.63Å; V213-N221 HydrophobicContact CB-CB 4.13Å; V213-N221 HydrophobicContact CG2-CB 4.33Å; V213-N221 PolarHBondContact N-O 3.36Å; V213-N221 PolarHBondContact O-N 2.88Å; V213-F223 HydrophobicContact CG2-CD2 4.22Å; V213-F223 HydrophobicContact CG2-CE2 3.49Å; V213-F223 VanDerWaalsContact CG2-CE2 3.49Å; V213-F223 HydrophobicContact CG2-CZ 4.31Å; V213-F256 HydrophobicContact CG2-CE1 4.26Å; V213-F256 HydrophobicContact CG2-CZ 4.05Å
214L97Very high94.9Very high3 Ų343.9 Ų43.92%0.01623%0.231CC..EExtended strand (participates in β ladder)trans-121.8146.9-176-58.7130.8000110.5M186 I189 P191 I202 H203 A205 L212 T218 K219M186-L214 HydrophobicContact SD-CD2 4.08Å; I189-L214 HydrophobicContact CG2-CD1 3.96Å; P191-L214 HydrophobicContact CB-CD1 4.46Å; I202-L214 CarbonylContact C-O 3.57Å; I202-L214 WeakPolarHBondContact CA-O 3.2Å; H203-L214 HydrophobicContact CB-CB 4.24Å; H203-L214 HydrophobicContact CB-CD1 4.49Å; H203-L214 PolarHBondContact N-O 2.79Å; H203-L214 PolarHBondContact O-N 3.29Å; A205-L214 HydrophobicContact CB-CD1 3.65Å; L212-L214 HydrophobicContact CB-CD1 4.48Å; L214-T218 CarbonylContact C-O 3.55Å; L214-T218 VanDerWaalsContact CA-O 3.26Å; L214-T218 WeakPolarHBondContact CA-O 3.27Å; L214-K219 HydrophobicContact CD2-CB 4.2Å
215R94.8Very high94.8Very high158 Ų15844.2 Ų44.260%0.59623%0.232SC*.EExtended strand (participates in β ladder)trans-124.5117.8165.6175.8178.4-174.3-167.31.5108.1N217 T218 I220R215-N217 PolarHBondContact O-N 2.85Å; R215-T218 PolarHBondContact N-O 3.43Å; R215-T218 PolarHBondContact O-N 2.71Å; R215-I220 HydrophobicContact CB-CD1 3.27Å; R215-I220 HydrophobicContact CB-CG1 3.95Å; R215-I220 HydrophobicContact CG-CD1 4.39Å
216G89.1Confident94.5Very high44 Ų4446.8 Ų46.845%0.45425%0.253SS..THydrogen-bonded Turntrans55.7-127.5-160.400000110.1
217N87.9Confident94.3Very high93 Ų9351.7 Ų51.750%0.49727%0.274SS..THydrogen-bonded Turntrans-96.85.9176.8-61.2-21.6000113P112 M186 R215P112-N217 HydrophobicContact CG-CB 4.21Å; M186-N217 HydrophobicContact CG-CB 4.36Å; M186-N217 HydrophobicContact SD-CB 4.27Å; R215-N217 PolarHBondContact O-N 2.85Å
218T92.1Very high94.2Very high99 Ų9951.4 Ų51.461%0.60727%0.271SS*.EExtended strand (participates in β ladder)trans-96.9126.3-178.4-53.40000110.3L214 R215 I220L214-T218 CarbonylContact C-O 3.55Å; L214-T218 VanDerWaalsContact CA-O 3.26Å; L214-T218 WeakPolarHBondContact CA-O 3.27Å; R215-T218 PolarHBondContact N-O 3.43Å; R215-T218 PolarHBondContact O-N 2.71Å; T218-I220 PolarHBondContact O-N 3.36Å
219K94.5Very high94.1Very high93 Ų9355 Ų5540%0.40428%0.282SS..EExtended strand (participates in β ladder)trans-74.6114.8174.4-176.4179.570.5-170.10110L212 L214L212-K219 HydrophobicContact CD2-CD 4.22Å; L214-K219 HydrophobicContact CD2-CB 4.2Å
220I93.9Very high94.1Very high95 Ų9554.9 Ų54.949%0.48728%0.281SS..EExtended strand (participates in β ladder)trans-85.7-45.3177.1-60165.7000110.8V213 R215 T218V213-I220 PolarHBondContact O-N 2.63Å; R215-I220 HydrophobicContact CB-CD1 3.27Å; R215-I220 HydrophobicContact CB-CG1 3.95Å; R215-I220 HydrophobicContact CG-CD1 4.39Å; T218-I220 PolarHBondContact O-N 3.36Å
221N94.3Very high94.1Very high72 Ų7254.9 Ų54.939%0.38528%0.281SS..EExtended strand (participates in β ladder)trans-146.5157.1-173.7-163.811.4000112.1V213 F223V213-N221 HydrophobicContact CB-CB 4.13Å; V213-N221 HydrophobicContact CG2-CB 4.33Å; V213-N221 PolarHBondContact N-O 3.36Å; V213-N221 PolarHBondContact O-N 2.88Å; N221-F223 WeakPolarHBondContact ND2-CE1 3.39Å; N221-F223 WeakPolarHBondContact ND2-CZ 3.21Å
222T95.7Very high93.9Very high37 Ų3755.5 Ų55.523%0.22729%0.285CS..EExtended strand (participates in β ladder)trans-134.1113.8175.4-61.20000109.5M209 L212 N224M209-T222 HydrophobicContact CG-CG2 3.92Å; M209-T222 HydrophobicContact SD-CG2 3.76Å; L212-T222 HydrophobicContact CD2-CG2 3.76Å; L212-T222 WeakPolarHBondContact CD2-OG1 3.33Å; T222-N224 PolarHBondContact O-N 2.88Å
223F95.5Very high93.8Very high18 Ų1855.3 Ų55.38%0.07928%0.284CS..EExtended strand (participates in β ladder)trans-86.394.8168.1-56.5-67.2000108.5G210 V211 V213 N221 I228 I240 L242 L254 F256G210-F223 CarbonylContact C-O 3.6Å; G210-F223 WeakPolarHBondContact CA-O 3.21Å; V211-F223 HydrophobicContact CB-CB 4.37Å; V211-F223 HydrophobicContact CB-CD2 4.45Å; V211-F223 PolarHBondContact N-O 2.81Å; V211-F223 PolarHBondContact O-N 2.61Å; V213-F223 HydrophobicContact CG2-CD2 4.22Å; V213-F223 HydrophobicContact CG2-CE2 3.49Å; V213-F223 VanDerWaalsContact CG2-CE2 3.49Å; V213-F223 HydrophobicContact CG2-CZ 4.31Å; N221-F223 WeakPolarHBondContact ND2-CE1 3.39Å; N221-F223 WeakPolarHBondContact ND2-CZ 3.21Å; F223-I228 HydrophobicContact CB-CD1 3.88Å; F223-I228 HydrophobicContact CB-CG1 4.12Å; F223-I228 WeakPolarHBondContact O-CD1 3.45Å; F223-I240 HydrophobicContact CB-CD1 4.47Å; F223-I240 HydrophobicContact CD2-CD1 3.62Å; F223-I240 HydrophobicContact CE2-CD1 4.09Å; F223-I240 HydrophobicContact CG-CD1 4.13Å; F223-L242 HydrophobicContact CD1-CD2 4.33Å; F223-L254 HydrophobicContact CD1-CD1 3.84Å; F223-L254 HydrophobicContact CE1-CD1 3.06Å; F223-L254 HydrophobicContact CE2-CD1 4.14Å; F223-L254 HydrophobicContact CZ-CD1 3.25Å; F223-F256 HydrophobicContact CE2-CE2 4Å; F223-F256 AromaticContact CE2-CZ 3.71Å; F223-F256 HydrophobicContact CE2-CZ 3.71Å; F223-F256 HydrophobicContact CZ-CZ 4.08Å
224N95.1Very high93.6Very high66 Ų6661 Ų6135%0.35331%0.308SS..EExtended strand (participates in β ladder)trans-59.4142.1178.3-171.8-54.8000110.4M209 T222 A226 K227 I228M209-N224 VanDerWaalsContact O-CA 3.29Å; M209-N224 WeakPolarHBondContact O-CA 3.5Å; T222-N224 PolarHBondContact O-N 2.88Å; N224-A226 PolarHBondContact O-N 2.93Å; N224-A226 PolarHBondContact OD1-N 3.24Å; N224-K227 HydrophobicContact CB-CD 4.47Å; N224-K227 HydrophobicContact CB-CG 4.32Å; N224-K227 WeakPolarHBondContact O-CB 3.44Å; N224-K227 PolarHBondContact O-N 3.3Å; N224-I228 WeakPolarHBondContact O-CG1 3.38Å; N224-I228 PolarHBondContact O-N 3.22Å
225W95.6Very high93.4Very high7 Ų768.7 Ų68.73%0.02734%0.337CS..G310 helixtrans-48.5-43.2175.8-62126.6000113.4V206 A207 H208 M209 G210 V211 K227 I228 L231 C271 H275 R279 L686V206-W225 HydrophobicContact CG1-CH2 3.65Å; V206-W225 HydrophobicContact CG1-CZ2 3.67Å; A207-W225 WeakPolarHBondContact O-CZ2 3.39Å; A207-W225 PolarHBondContact O-NE1 3.17Å; H208-W225 PolarHBondContact O-NE1 3.09Å; M209-W225 PolarHBondContact O-N 2.7Å; M209-W225 VanDerWaalsContact O-N 3.14Å; G210-W225 VanDerWaalsContact N-NE1 3.16Å; V211-W225 HydrophobicContact CG2-CH2 4.01Å; V211-W225 HydrophobicContact CG2-CZ3 3.97Å; W225-K227 PolarHBondContact O-N 3.24Å; W225-I228 HydrophobicContact CE3-CD1 3.91Å; W225-I228 HydrophobicContact CZ3-CD1 4.13Å; W225-I228 PolarHBondContact O-N 2.89Å; W225-I228 VanDerWaalsContact O-N 3.07Å; W225-L231 HydrophobicContact CZ3-CD1 4.06Å; W225-C271 HydrophobicContact CH2-CB 4.32Å; W225-H275 HydrophobicContact CD2-CB 4.48Å; W225-H275 HydrophobicContact CE3-CB 4.33Å; W225-H275 AromaticContact CE3-CD2 4Å; W225-H275 HydrophobicContact CZ3-CB 4.37Å; W225-R279 HydrophobicContact CB-CG 4.24Å; W225-R279 HydrophobicContact CG-CG 4.1Å; W225-L686 HydrophobicContact CE3-CD1 4.38Å
226A91.9Very high93.4Very high54 Ų5465.8 Ų65.845%0.44633%0.328SS..G310 helixtrans-64-21.817900000113.8N224N224-A226 PolarHBondContact O-N 2.93Å; N224-A226 PolarHBondContact OD1-N 3.24Å
227K91.3Very high93.8Very high109 Ų10966.1 Ų66.147%0.47432%0.318SS..G310 helixtrans-88-15.8177.6-64.1-174.6178.9-178.70112.5N224 W225 L242 H243 I246N224-K227 HydrophobicContact CB-CD 4.47Å; N224-K227 HydrophobicContact CB-CG 4.32Å; N224-K227 WeakPolarHBondContact O-CB 3.44Å; N224-K227 PolarHBondContact O-N 3.3Å; W225-K227 PolarHBondContact O-N 3.24Å; K227-L242 VanDerWaalsContact O-CA 3.3Å; K227-L242 WeakPolarHBondContact O-CA 3.5Å; K227-L242 WeakPolarHBondContact O-CD2 3.26Å; K227-H243 PolarHBondContact O-N 2.83Å; K227-H243 VanDerWaalsContact O-N 3.14Å; K227-I246 HydrophobicContact CB-CD1 3.6Å; K227-I246 HydrophobicContact CD-CD1 4.27Å; K227-I246 HydrophobicContact CG-CD1 3.77Å
228I93.8Very high94.3Very high0 Ų061.7 Ų61.70%029%0.294CS..EExtended strand (participates in β ladder)trans-93.4114.2-173.1-63.6168.8000109.2V211 F223 N224 W225 L231 I240 L242 L686V211-I228 HydrophobicContact CG2-CD1 4.2Å; F223-I228 HydrophobicContact CB-CD1 3.88Å; F223-I228 HydrophobicContact CB-CG1 4.12Å; F223-I228 WeakPolarHBondContact O-CD1 3.45Å; N224-I228 WeakPolarHBondContact O-CG1 3.38Å; N224-I228 PolarHBondContact O-N 3.22Å; W225-I228 HydrophobicContact CE3-CD1 3.91Å; W225-I228 HydrophobicContact CZ3-CD1 4.13Å; W225-I228 PolarHBondContact O-N 2.89Å; W225-I228 VanDerWaalsContact O-N 3.07Å; I228-L231 HydrophobicContact CD1-CD2 4.45Å; I228-L231 HydrophobicContact CG2-CD2 3.68Å; I228-L231 HydrophobicContact CG2-CG 3.76Å; I228-I240 HydrophobicContact CD1-CG2 4.32Å; I228-I240 HydrophobicContact CG1-CG2 3.86Å; I228-I240 HydrophobicContact CG2-CG2 4.1Å; I228-L242 HydrophobicContact CG1-CD2 4.44Å; I228-L686 HydrophobicContact CB-CD1 4.11Å; I228-L686 HydrophobicContact CG2-CD1 3.97Å; I228-L686 WeakPolarHBondContact O-CD1 3.43Å
229R92Very high94.4Very high130 Ų13058.3 Ų58.349%0.49127%0.272SS..EExtended strand (participates in β ladder)trans-77.1-42.7173.2-177.2179.6176.7-177.74.4112.1K241 H243 L686R229-K241 PolarHBondContact N-O 3.4Å; R229-H243 VanDerWaalsContact CA-NE2 3.34Å; R229-H243 WeakPolarHBondContact CA-NE2 3.48Å; R229-H243 PolarHBondContact N-CD2 3.25Å; R229-L686 PolarHBondContact O-N 3.43Å; R229-L686 VanDerWaalsContact O-N 3.13Å
230K93.4Very high94.5Very high59 Ų5953.9 Ų53.926%0.25725%0.253SS..EExtended strand (participates in β ladder)trans-155.2133.1-172.9170.3165.9178.3152.30112.7K241 L684K230-K241 HydrophobicContact CB-CB 4.11Å; K230-K241 HydrophobicContact CB-CG 4.48Å; K230-K241 PolarHBondContact N-O 3.12Å; K230-K241 VanDerWaalsContact N-O 3.14Å; K230-K241 PolarHBondContact O-N 3.44Å; K230-L684 VanDerWaalsContact CA-O 3.28Å; K230-L684 WeakPolarHBondContact CA-O 3.45Å; K230-L684 WeakPolarHBondContact CG-O 3.35Å
231L95.6Very high94.4Very high0 Ų053.4 Ų53.40%025%0.247CC..EExtended strand (participates in β ladder)trans-105.1131.2169.1-64.2179000110.2W225 I228 F238 I240 W268 C271 S683 L684W225-L231 HydrophobicContact CZ3-CD1 4.06Å; I228-L231 HydrophobicContact CD1-CD2 4.45Å; I228-L231 HydrophobicContact CG2-CD2 3.68Å; I228-L231 HydrophobicContact CG2-CG 3.76Å; L231-F238 HydrophobicContact CD1-CZ 4.45Å; L231-F238 HydrophobicContact CD2-CE1 4.22Å; L231-F238 HydrophobicContact CD2-CZ 3.84Å; L231-I240 HydrophobicContact CD2-CB 4.18Å; L231-I240 HydrophobicContact CD2-CD1 4.49Å; L231-I240 HydrophobicContact CD2-CG1 3.8Å; L231-I240 HydrophobicContact CD2-CG2 4Å; L231-W268 PolarHBondContact O-NE1 3Å; L231-C271 HydrophobicContact CD1-CB 3.48Å; L231-C271 VanDerWaalsContact CD1-CB 3.48Å; L231-S683 WeakPolarHBondContact O-CA 3.19Å; L231-L684 PolarHBondContact N-O 2.83Å; L231-L684 PolarHBondContact O-N 3.27Å
232S94.4Very high94.3Very high13 Ų1351 Ų519%0.09124%0.235CC..EExtended strand (participates in β ladder)trans-149169.5176.358.30000111.3L239 G682S232-L239 PolarHBondContact N-O 3.11Å; S232-L239 PolarHBondContact O-N 2.89Å; S232-G682 WeakPolarHBondContact CA-O 3.37Å; S232-G682 WeakPolarHBondContact CB-O 3.14Å
233F94.4Very high93.9Very high2 Ų251.7 Ų51.71%0.00924%0.235CC..EExtended strand (participates in β ladder)trans-141.1153.8171.269.8-83.8000111.6H237 C264 K265 W268 S681F233-H237 CarbonylContact C-O 3.55Å; F233-H237 VanDerWaalsContact CA-O 3.24Å; F233-H237 WeakPolarHBondContact CA-O 3.48Å; F233-H237 WeakPolarHBondContact CB-O 3.33Å; F233-C264 WeakPolarHBondContact CB-SG 3.37Å; F233-K265 HydrophobicContact CE1-CB 4.27Å; F233-K265 HydrophobicContact CE1-CG 4.11Å; F233-K265 HydrophobicContact CE2-CB 3.91Å; F233-K265 HydrophobicContact CE2-CG 4.29Å; F233-K265 HydrophobicContact CZ-CB 3.76Å; F233-K265 HydrophobicContact CZ-CD 4.01Å; F233-K265 HydrophobicContact CZ-CG 3.66Å; F233-W268 HydrophobicContact CD1-CB 3.81Å; F233-W268 HydrophobicContact CD1-CD2 4.01Å; F233-W268 HydrophobicContact CD1-CE3 4.46Å; F233-W268 AromaticContact CD1-CG 3.69Å; F233-W268 HydrophobicContact CD1-CG 3.69Å; F233-W268 HydrophobicContact CE1-CB 4.33Å; F233-W268 AromaticContact CE1-CD2 3.94Å; F233-W268 HydrophobicContact CE1-CD2 3.94Å; F233-W268 AromaticContact CE1-CE3 3.96Å; F233-W268 HydrophobicContact CE1-CE3 3.96Å; F233-W268 HydrophobicContact CE1-CG 4.1Å; F233-S681 WeakPolarHBondContact O-CB 3.47Å; F233-S681 PolarHBondContact O-OG 3.25Å
234K92.6Very high92.9Very high129 Ų12953.8 Ų53.856%0.56126%0.255SS*.EExtended strand (participates in β ladder)trans-140.6116.3175.9-176.2-176.9177.2-171.70109K236 H237 L239K234-K236 PolarHBondContact O-N 3.44Å; K234-H237 PolarHBondContact N-O 2.93Å; K234-H237 WeakPolarHBondContact O-CB 3.27Å; K234-H237 PolarHBondContact O-N 3.08Å; K234-L239 HydrophobicContact CB-CD1 4.4Å
235R93.4Very high91.5Very high165 Ų16558 Ų5862%0.62328%0.278SS*.THydrogen-bonded Turntrans53.6-121.8-172-58.1176.4175167.7-3.9109.1R261R235-R261 VanDerWaalsContact O-CA 3.28Å; R235-R261 WeakPolarHBondContact O-CA 3.35Å; R235-R261 WeakPolarHBondContact O-CG 3.16Å
236K95.6Very high89.8Confident97 Ų9760.5 Ų60.542%0.42229%0.291SS..THydrogen-bonded Turntrans-90.52.3177.764.6172.9-177.4171.90114.2K234 T257 M258K234-K236 PolarHBondContact O-N 3.44Å; K236-T257 HydrophobicContact CD-CG2 3.74Å; K236-T257 HydrophobicContact CG-CG2 4.08Å; K236-M258 WeakPolarHBondContact CB-O 3.29Å; K236-M258 PolarHBondContact O-N 2.86Å
237H96.7Very high88Confident50 Ų5064.3 Ų64.323%0.23130%0.303CS..EExtended strand (participates in β ladder)trans-97.8118.9-175.5-56-90.2000110.3F233 K234 E255 F256 T257F233-H237 CarbonylContact C-O 3.55Å; F233-H237 VanDerWaalsContact CA-O 3.24Å; F233-H237 WeakPolarHBondContact CA-O 3.48Å; F233-H237 WeakPolarHBondContact CB-O 3.33Å; K234-H237 PolarHBondContact N-O 2.93Å; K234-H237 WeakPolarHBondContact O-CB 3.27Å; K234-H237 PolarHBondContact O-N 3.08Å; H237-E255 HydrophobicContact CB-CG 4.12Å; H237-E255 IonicContact CE1-OE1 3.47Å; H237-E255 PolarHBondContact CE1-OE1 3.43Å; H237-E255 IonicContact CG-OE1 3.3Å; H237-E255 VanDerWaalsContact CG-OE1 3.3Å; H237-E255 IonicContact ND1-OE1 2.7Å; H237-E255 PolarHBondContact ND1-OE1 3.29Å; H237-F256 CarbonylContact C-O 3.57Å; H237-F256 WeakPolarHBondContact CA-O 3.48Å; H237-T257 PolarHBondContact CE1-OG1 3.43Å; H237-T257 PolarHBondContact ND1-OG1 2.93Å
238F97.7Very high86.2Confident0 Ų066.5 Ų66.50%033%0.326CS..EExtended strand (participates in β ladder)trans-88.5132.7171.6-173.3-108.6000109.1L204 L231 I240 E255 F256 M258 C264 F267 W268L204-F238 HydrophobicContact CD1-CD1 4.19Å; L231-F238 HydrophobicContact CD1-CZ 4.45Å; L231-F238 HydrophobicContact CD2-CE1 4.22Å; L231-F238 HydrophobicContact CD2-CZ 3.84Å; F238-I240 HydrophobicContact CD1-CD1 4.42Å; F238-I240 HydrophobicContact CD1-CG1 3.99Å; F238-I240 HydrophobicContact CE1-CD1 3.85Å; F238-I240 HydrophobicContact CE1-CG1 3.53Å; F238-I240 HydrophobicContact CZ-CG1 4.43Å; F238-E255 WeakPolarHBondContact O-CA 3.48Å; F238-F256 HydrophobicContact CB-CB 4.4Å; F238-F256 HydrophobicContact CD1-CD2 4.26Å; F238-F256 PolarHBondContact N-O 3.22Å; F238-F256 PolarHBondContact O-N 3.2Å; F238-M258 HydrophobicContact CB-SD 4.3Å; F238-C264 PolarHBondContact N-SG 3.42Å; F238-F267 HydrophobicContact CD1-CD1 4.2Å; F238-F267 HydrophobicContact CD1-CE1 4.05Å; F238-F267 AromaticContact CD2-CD1 3.98Å; F238-F267 HydrophobicContact CD2-CD1 3.98Å; F238-F267 HydrophobicContact CE1-CD1 4.04Å; F238-F267 AromaticContact CE1-CE1 3.67Å; F238-F267 HydrophobicContact CE1-CE1 3.67Å; F238-F267 AromaticContact CE2-CD1 3.82Å; F238-F267 HydrophobicContact CE2-CD1 3.82Å; F238-F267 HydrophobicContact CE2-CE1 4.22Å; F238-F267 HydrophobicContact CG-CD1 4.16Å; F238-F267 HydrophobicContact CG-CE1 4.48Å; F238-F267 AromaticContact CZ-CD1 3.85Å; F238-F267 HydrophobicContact CZ-CD1 3.85Å; F238-F267 AromaticContact CZ-CE1 3.76Å; F238-F267 HydrophobicContact CZ-CE1 3.76Å; F238-W268 HydrophobicContact CD2-CB 4.4Å; F238-W268 HydrophobicContact CE2-CB 3.97Å
239L95.9Very high84.3Confident28 Ų2874.7 Ų74.715%0.14737%0.368CS..EExtended strand (participates in β ladder)trans-125.3121.4-170.8-59.5170000109.8S232 K234 T253 L254 E255S232-L239 PolarHBondContact N-O 3.11Å; S232-L239 PolarHBondContact O-N 2.89Å; K234-L239 HydrophobicContact CB-CD1 4.4Å; L239-T253 HydrophobicContact CB-CG2 4.3Å; L239-T253 HydrophobicContact CD2-CG2 4.22Å; L239-L254 WeakPolarHBondContact CA-O 3.32Å; L239-E255 HydrophobicContact CD2-CB 3.8Å; L239-E255 HydrophobicContact CD2-CG 3.69Å
240I95.4Very high82.7Confident0 Ų071.7 Ų71.70%037%0.367CS..EExtended strand (participates in β ladder)trans-108.5114.7173.9-52-175.9000107.8V211 F223 I228 L231 F238 L242 T253 L254 F256V211-I240 HydrophobicContact CB-CD1 4.2Å; V211-I240 HydrophobicContact CG1-CD1 4.02Å; F223-I240 HydrophobicContact CB-CD1 4.47Å; F223-I240 HydrophobicContact CD2-CD1 3.62Å; F223-I240 HydrophobicContact CE2-CD1 4.09Å; F223-I240 HydrophobicContact CG-CD1 4.13Å; I228-I240 HydrophobicContact CD1-CG2 4.32Å; I228-I240 HydrophobicContact CG1-CG2 3.86Å; I228-I240 HydrophobicContact CG2-CG2 4.1Å; L231-I240 HydrophobicContact CD2-CB 4.18Å; L231-I240 HydrophobicContact CD2-CD1 4.49Å; L231-I240 HydrophobicContact CD2-CG1 3.8Å; L231-I240 HydrophobicContact CD2-CG2 4Å; F238-I240 HydrophobicContact CD1-CD1 4.42Å; F238-I240 HydrophobicContact CD1-CG1 3.99Å; F238-I240 HydrophobicContact CE1-CD1 3.85Å; F238-I240 HydrophobicContact CE1-CG1 3.53Å; F238-I240 HydrophobicContact CZ-CG1 4.43Å; I240-L242 HydrophobicContact CG2-CD2 4.01Å; I240-T253 CarbonylContact O-C 3.58Å; I240-T253 WeakPolarHBondContact O-CA 3.46Å; I240-L254 HydrophobicContact CB-CB 4.36Å; I240-L254 PolarHBondContact N-O 2.99Å; I240-L254 PolarHBondContact O-N 2.92Å; I240-F256 HydrophobicContact CD1-CD2 4.38Å; I240-F256 HydrophobicContact CD1-CE2 3.83Å; I240-F256 HydrophobicContact CG1-CE2 4.28Å
241K93.3Very high81.3Confident86 Ų8677.1 Ų77.137%0.37439%0.39SS..EExtended strand (participates in β ladder)trans-94.9127.8169.8-58.6-159.5170.4-162.30109.7R229 K230 D252 T253R229-K241 PolarHBondContact N-O 3.4Å; K230-K241 HydrophobicContact CB-CB 4.11Å; K230-K241 HydrophobicContact CB-CG 4.48Å; K230-K241 PolarHBondContact N-O 3.12Å; K230-K241 VanDerWaalsContact N-O 3.14Å; K230-K241 PolarHBondContact O-N 3.44Å; K241-D252 CarbonylContact C-O 3.46Å; K241-D252 VanDerWaalsContact CA-O 3.27Å; K241-D252 WeakPolarHBondContact CA-O 3.43Å; K241-T253 HydrophobicContact CG-CG2 4.05Å
242L91.5Very high80.7Confident22 Ų2281.5 Ų81.512%0.11541%0.414CS..EExtended strand (participates in β ladder)trans-90.1163.3177-57.5179.6000110.7F223 K227 I228 I240 D252 L254F223-L242 HydrophobicContact CD1-CD2 4.33Å; K227-L242 VanDerWaalsContact O-CA 3.3Å; K227-L242 WeakPolarHBondContact O-CA 3.5Å; K227-L242 WeakPolarHBondContact O-CD2 3.26Å; I228-L242 HydrophobicContact CG1-CD2 4.44Å; I240-L242 HydrophobicContact CG2-CD2 4.01Å; L242-D252 PolarHBondContact N-O 2.91Å; L242-L254 HydrophobicContact CD1-CD1 4.17Å
243H87.8Confident80.5Confident50 Ų5083.2 Ų83.223%0.23142%0.424CS..PPolyproline II helixtrans-68.6140.5168-78.5-98.9000110.2K227 R229 N245 I246K227-H243 PolarHBondContact O-N 2.83Å; K227-H243 VanDerWaalsContact O-N 3.14Å; R229-H243 VanDerWaalsContact CA-NE2 3.34Å; R229-H243 WeakPolarHBondContact CA-NE2 3.48Å; R229-H243 PolarHBondContact N-CD2 3.25Å; H243-N245 PolarHBondContact O-N 3.39Å; H243-I246 HydrophobicContact CB-CD1 4.33Å; H243-I246 WeakPolarHBondContact O-CG1 3.43Å; H243-I246 PolarHBondContact O-N 2.71Å
244A73.9Confident80.4Confident62 Ų6285 Ų8551%0.51243%0.433SS..THydrogen-bonded Turntrans-64.5-13-172.300000114.2I246A244-I246 PolarHBondContact O-N 3.2Å
245N65.6Low80.5Confident156 Ų15683.1 Ų83.183%0.83443%0.426SS*.THydrogen-bonded Turntrans-81.51.2-178.5-59.8-13.9000113H243 L247H243-N245 PolarHBondContact O-N 3.39Å; N245-L247 PolarHBondContact O-N 2.72Å
246I60.3Low80.7Confident59 Ų5976 Ų7630%0.30340%0.4SS..SBendtrans-98.845.4-172.6-49.1176.7000111.5K227 H243 A244K227-I246 HydrophobicContact CB-CD1 3.6Å; K227-I246 HydrophobicContact CD-CD1 4.27Å; K227-I246 HydrophobicContact CG-CD1 3.77Å; H243-I246 HydrophobicContact CB-CD1 4.33Å; H243-I246 WeakPolarHBondContact O-CG1 3.43Å; H243-I246 PolarHBondContact O-N 2.71Å; A244-I246 PolarHBondContact O-N 3.2Å
247L52.9Low80.8Confident133 Ų13372.8 Ų72.870%0.69639%0.388SS*.  trans89.4123.7176.3-51.7159.5000115.9N245 L249 C250N245-L247 PolarHBondContact O-N 2.72Å; L247-L249 PolarHBondContact O-N 2.89Å; L247-C250 PolarHBondContact O-N 2.71Å
248V54.9Low80.8Confident155 Ų15570.7 Ų70.794%0.93938%0.379SS*.THydrogen-bonded Turntrans-57.4-11.8175.2-179.20000113.7
249L54Low80.6Confident172 Ų17275 Ų7590%0.90142%0.415SS*.THydrogen-bonded Turntrans-99.5-14.4-178.1-103.884.6000115.3L247L247-L249 PolarHBondContact O-N 2.89Å
250C56.7Low80.5Confident67 Ų6775.9 Ų75.945%0.45342%0.423SS..SBendtrans-92.7142.3-176.4-152.90000110.8L247 D252L247-C250 PolarHBondContact O-N 2.71Å; C250-D252 PolarHBondContact O-N 3.07Å
251K65.9Low80.3Confident173 Ų17383 Ų8375%0.75245%0.45SS*.  trans-58.6114.8168.4-75.3178.5179.2170.30108T253K251-T253 PolarHBondContact O-N 2.88Å
252D81.6Confident80.2Confident92 Ų9283.1 Ų83.149%0.49246%0.455SS..SBendtrans-52.3-21176.9-72.9-12.5000114K241 L242 C250K241-D252 CarbonylContact C-O 3.46Å; K241-D252 VanDerWaalsContact CA-O 3.27Å; K241-D252 WeakPolarHBondContact CA-O 3.43Å; L242-D252 PolarHBondContact N-O 2.91Å; C250-D252 PolarHBondContact O-N 3.07Å
253T90.4Very high80.3Confident49 Ų4983.4 Ų83.430%0.30146%0.46SS..EExtended strand (participates in β ladder)trans-123.2120.7178.8-53.70000110.4L239 I240 K241 K251L239-T253 HydrophobicContact CB-CG2 4.3Å; L239-T253 HydrophobicContact CD2-CG2 4.22Å; I240-T253 CarbonylContact O-C 3.58Å; I240-T253 WeakPolarHBondContact O-CA 3.46Å; K241-T253 HydrophobicContact CG-CG2 4.05Å; K251-T253 PolarHBondContact O-N 2.88Å
254L92.6Very high80.7Confident39 Ų3981 Ų8120%0.20445%0.449CS..EExtended strand (participates in β ladder)trans-94.2141.6171.4-57.9171000109.5F223 L239 I240 L242 F256F223-L254 HydrophobicContact CD1-CD1 3.84Å; F223-L254 HydrophobicContact CE1-CD1 3.06Å; F223-L254 HydrophobicContact CE2-CD1 4.14Å; F223-L254 HydrophobicContact CZ-CD1 3.25Å; L239-L254 WeakPolarHBondContact CA-O 3.32Å; I240-L254 HydrophobicContact CB-CB 4.36Å; I240-L254 PolarHBondContact N-O 2.99Å; I240-L254 PolarHBondContact O-N 2.92Å; L242-L254 HydrophobicContact CD1-CD1 4.17Å; L254-F256 HydrophobicContact CB-CE2 4.11Å; L254-F256 HydrophobicContact CB-CZ 4.49Å
255E95.3Very high81.6Confident91 Ų9180.8 Ų80.843%0.42544%0.436SS..EExtended strand (participates in β ladder)trans-124.9132.4-177.5-177.4172.7151.400110.8H237 F238 L239H237-E255 HydrophobicContact CB-CG 4.12Å; H237-E255 IonicContact CE1-OE1 3.47Å; H237-E255 PolarHBondContact CE1-OE1 3.43Å; H237-E255 IonicContact CG-OE1 3.3Å; H237-E255 VanDerWaalsContact CG-OE1 3.3Å; H237-E255 IonicContact ND1-OE1 2.7Å; H237-E255 PolarHBondContact ND1-OE1 3.29Å; F238-E255 WeakPolarHBondContact O-CA 3.48Å; L239-E255 HydrophobicContact CD2-CB 3.8Å; L239-E255 HydrophobicContact CD2-CG 3.69Å
256F97.1Very high82.9Confident14 Ų1474.7 Ų74.76%0.06141%0.408CS..EExtended strand (participates in β ladder)trans-128.2131.1175.6-58.5-76.8000110.2S195 D196 I202 L204 V213 F223 H237 F238 I240 L254S195-F256 CarbonylContact O-C 3.39Å; S195-F256 VanDerWaalsContact O-CA 3.29Å; S195-F256 WeakPolarHBondContact O-CA 3.35Å; D196-F256 HydrophobicContact CB-CD1 4.4Å; D196-F256 HydrophobicContact CB-CE1 4.43Å; I202-F256 HydrophobicContact CD1-CD1 3.58Å; I202-F256 HydrophobicContact CD1-CE1 3.76Å; L204-F256 HydrophobicContact CD1-CB 3.79Å; L204-F256 HydrophobicContact CD1-CD2 4.27Å; L204-F256 HydrophobicContact CD1-CG 4Å; L204-F256 HydrophobicContact CD2-CD1 4.13Å; L204-F256 HydrophobicContact CD2-CD2 4.34Å; L204-F256 HydrophobicContact CD2-CE1 4.28Å; L204-F256 HydrophobicContact CD2-CG 4.13Å; L204-F256 HydrophobicContact CD2-CZ 4.48Å; V213-F256 HydrophobicContact CG2-CE1 4.26Å; V213-F256 HydrophobicContact CG2-CZ 4.05Å; F223-F256 HydrophobicContact CE2-CE2 4Å; F223-F256 AromaticContact CE2-CZ 3.71Å; F223-F256 HydrophobicContact CE2-CZ 3.71Å; F223-F256 HydrophobicContact CZ-CZ 4.08Å; H237-F256 CarbonylContact C-O 3.57Å; H237-F256 WeakPolarHBondContact CA-O 3.48Å; F238-F256 HydrophobicContact CB-CB 4.4Å; F238-F256 HydrophobicContact CD1-CD2 4.26Å; F238-F256 PolarHBondContact N-O 3.22Å; F238-F256 PolarHBondContact O-N 3.2Å; I240-F256 HydrophobicContact CD1-CD2 4.38Å; I240-F256 HydrophobicContact CD1-CE2 3.83Å; I240-F256 HydrophobicContact CG1-CE2 4.28Å; L254-F256 HydrophobicContact CB-CE2 4.11Å; L254-F256 HydrophobicContact CB-CZ 4.49Å
257T97.6Very high84.6Confident30 Ų3071.9 Ų71.918%0.18439%0.393CS..EExtended strand (participates in β ladder)trans-92121.8177.9-60.70000110.1A194 S195 K236 H237A194-T257 CarbonylContact C-O 3.39Å; A194-T257 WeakPolarHBondContact CA-O 3.5Å; S195-T257 PolarHBondContact N-O 3.48Å; S195-T257 PolarHBondContact O-N 3Å; K236-T257 HydrophobicContact CD-CG2 3.74Å; K236-T257 HydrophobicContact CG-CG2 4.08Å; H237-T257 PolarHBondContact CE1-OG1 3.43Å; H237-T257 PolarHBondContact ND1-OG1 2.93Å
258M96.1Very high86.7Confident7 Ų765.8 Ų65.83%0.03436%0.361CS..EExtended strand (participates in β ladder)trans-102.2170176.3-57.9-168.472.400111.6H192 A194 K236 F238 S260 C264 F267H192-M258 HydrophobicContact CB-CE 3.79Å; A194-M258 HydrophobicContact CB-CG 4.25Å; K236-M258 WeakPolarHBondContact CB-O 3.29Å; K236-M258 PolarHBondContact O-N 2.86Å; F238-M258 HydrophobicContact CB-SD 4.3Å; M258-S260 VanDerWaalsContact C-N 3.28Å; M258-S260 PolarHBondContact O-N 3.34Å; M258-C264 HydrophobicContact CB-CB 4.19Å; M258-C264 HydrophobicContact CG-CB 4.36Å; M258-C264 VanDerWaalsContact SD-CA 3.51Å; M258-C264 HydrophobicContact SD-CB 3.96Å; M258-F267 HydrophobicContact CE-CB 3.75Å; M258-F267 HydrophobicContact CE-CD2 4.39Å; M258-F267 HydrophobicContact CE-CG 3.98Å; M258-F267 HydrophobicContact SD-CB 3.84Å; M258-F267 HydrophobicContact SD-CD1 4.16Å; M258-F267 HydrophobicContact SD-CG 4.11Å
259A93.6Very high88.7Confident91 Ų9159.8 Ų59.875%0.75232%0.322SS*.SBendtrans-56.9-37.2-177.700000113.8
260S93.3Very high90.7Very high45 Ų4552.2 Ų52.232%0.31528%0.283SS..  trans-154167.6-179.176.10000112.3M258 D262 A263 C264M258-S260 VanDerWaalsContact C-N 3.28Å; M258-S260 PolarHBondContact O-N 3.34Å; S260-D262 PolarHBondContact O-N 2.93Å; S260-D262 PolarHBondContact OG-N 3.47Å; S260-A263 PolarHBondContact O-N 2.86Å; S260-A263 WeakPolarHBondContact OG-CB 3.27Å; S260-A263 PolarHBondContact OG-N 3.29Å; S260-C264 WeakPolarHBondContact O-CB 3.48Å; S260-C264 PolarHBondContact O-N 3.49Å
261R93.1Very high92.6Very high150 Ų15049 Ų4957%0.56626%0.262SS*.Hα-helixtrans-57.8-39.3171.4-177.3-162.670.4-166.8-4.1111.9R235 C264 K265R235-R261 VanDerWaalsContact O-CA 3.28Å; R235-R261 WeakPolarHBondContact O-CA 3.35Å; R235-R261 WeakPolarHBondContact O-CG 3.16Å; R261-C264 PolarHBondContact O-N 3.2Å; R261-K265 VanDerWaalsContact O-CB 3.31Å; R261-K265 WeakPolarHBondContact O-CB 3.36Å; R261-K265 PolarHBondContact O-N 3.28Å
262D91.3Very high94Very high89 Ų8941.2 Ų41.248%0.47623%0.229SC..Hα-helixtrans-76.7-36-174.4-64.7-13.7000110.9S260 K265 A266S260-D262 PolarHBondContact O-N 2.93Å; S260-D262 PolarHBondContact OG-N 3.47Å; D262-K265 PolarHBondContact O-N 3.31Å; D262-A266 WeakPolarHBondContact O-CB 3.49Å; D262-A266 PolarHBondContact O-N 2.97Å
263A93.1Very high94.8Very high27 Ų2737.6 Ų37.622%0.22321%0.209CC..Hα-helixtrans-60.8-45.7168.800000111.4S260 K265 A266 F267S260-A263 PolarHBondContact O-N 2.86Å; S260-A263 WeakPolarHBondContact OG-CB 3.27Å; S260-A263 PolarHBondContact OG-N 3.29Å; A263-K265 PolarHBondContact O-N 3.02Å; A263-A266 PolarHBondContact O-N 3.1Å; A263-F267 WeakPolarHBondContact O-CB 3.18Å; A263-F267 PolarHBondContact O-N 3.25Å
264C94.9Very high95.1Very high0 Ų035.9 Ų35.90%020%0.197CC..Hα-helixtrans-63-43.3177.3-168.60000112.9F233 F238 M258 S260 R261 F267 W268F233-C264 WeakPolarHBondContact CB-SG 3.37Å; F238-C264 PolarHBondContact N-SG 3.42Å; M258-C264 HydrophobicContact CB-CB 4.19Å; M258-C264 HydrophobicContact CG-CB 4.36Å; M258-C264 VanDerWaalsContact SD-CA 3.51Å; M258-C264 HydrophobicContact SD-CB 3.96Å; S260-C264 WeakPolarHBondContact O-CB 3.48Å; S260-C264 PolarHBondContact O-N 3.49Å; R261-C264 PolarHBondContact O-N 3.2Å; C264-F267 PolarHBondContact O-N 2.98Å; C264-W268 WeakPolarHBondContact O-CB 3.37Å; C264-W268 PolarHBondContact O-N 2.91Å
265K93.6Very high95.3Very high57 Ų5735 Ų3525%0.24819%0.192CC..Hα-helixtrans-64.6-38.9174.6-177.8175.4-177.31780111.9F233 R261 D262 A263 K269F233-K265 HydrophobicContact CE1-CB 4.27Å; F233-K265 HydrophobicContact CE1-CG 4.11Å; F233-K265 HydrophobicContact CE2-CB 3.91Å; F233-K265 HydrophobicContact CE2-CG 4.29Å; F233-K265 HydrophobicContact CZ-CB 3.76Å; F233-K265 HydrophobicContact CZ-CD 4.01Å; F233-K265 HydrophobicContact CZ-CG 3.66Å; R261-K265 VanDerWaalsContact O-CB 3.31Å; R261-K265 WeakPolarHBondContact O-CB 3.36Å; R261-K265 PolarHBondContact O-N 3.28Å; D262-K265 PolarHBondContact O-N 3.31Å; A263-K265 PolarHBondContact O-N 3.02Å; K265-K269 VanDerWaalsContact O-CG 3.32Å; K265-K269 WeakPolarHBondContact O-CG 3.33Å; K265-K269 PolarHBondContact O-N 3.44Å; K265-K269 VanDerWaalsContact O-N 3.1Å
266A93.7Very high95.3Very high29 Ų2930.9 Ų30.924%0.2417%0.173CC..Hα-helixtrans-63.6-47.917600000110.7D262 A263 W268 K269 T270D262-A266 WeakPolarHBondContact O-CB 3.49Å; D262-A266 PolarHBondContact O-N 2.97Å; A263-A266 PolarHBondContact O-N 3.1Å; A266-W268 PolarHBondContact O-N 3.19Å; A266-K269 WeakPolarHBondContact O-CB 3.45Å; A266-K269 PolarHBondContact O-N 3.33Å; A266-K269 VanDerWaalsContact O-N 3.13Å; A266-T270 PolarHBondContact O-N 3.02Å; A266-T270 PolarHBondContact O-OG1 2.89Å
267F96.1Very high95.3Very high0 Ų030.2 Ų30.20%017%0.17CC..Hα-helixtrans-59.2-45.6176.2-171.6-105.7000112.5H192 L204 V206 V211 F238 M258 A263 C264 K269 T270 C271H192-F267 HydrophobicContact CB-CD2 4.14Å; H192-F267 HydrophobicContact CB-CE2 4.47Å; H192-F267 AromaticContact CD2-CD2 3.46Å; H192-F267 VanDerWaalsContact CD2-CD2 3.46Å; H192-F267 WeakPolarHBondContact CD2-CD2 3.15Å; H192-F267 AromaticContact CD2-CE2 3.73Å; H192-F267 AromaticContact CG-CD2 3.78Å; H192-F267 AromaticContact NE2-CD2 3.99Å; L204-F267 HydrophobicContact CB-CE1 3.94Å; L204-F267 HydrophobicContact CB-CE2 3.84Å; L204-F267 HydrophobicContact CB-CZ 3.45Å; L204-F267 VanDerWaalsContact CB-CZ 3.45Å; L204-F267 HydrophobicContact CD1-CD1 4.39Å; L204-F267 HydrophobicContact CD1-CE1 3.91Å; L204-F267 HydrophobicContact CD1-CZ 4.3Å; L204-F267 HydrophobicContact CG-CZ 4.48Å; V206-F267 HydrophobicContact CG2-CD2 4.19Å; V206-F267 HydrophobicContact CG2-CE1 4.4Å; V206-F267 HydrophobicContact CG2-CE2 3.48Å; V206-F267 VanDerWaalsContact CG2-CE2 3.48Å; V206-F267 HydrophobicContact CG2-CZ 3.58Å; V211-F267 HydrophobicContact CG1-CE1 4.19Å; V211-F267 HydrophobicContact CG1-CZ 4.02Å; F238-F267 HydrophobicContact CD1-CD1 4.2Å; F238-F267 HydrophobicContact CD1-CE1 4.05Å; F238-F267 AromaticContact CD2-CD1 3.98Å; F238-F267 HydrophobicContact CD2-CD1 3.98Å; F238-F267 HydrophobicContact CE1-CD1 4.04Å; F238-F267 AromaticContact CE1-CE1 3.67Å; F238-F267 HydrophobicContact CE1-CE1 3.67Å; F238-F267 AromaticContact CE2-CD1 3.82Å; F238-F267 HydrophobicContact CE2-CD1 3.82Å; F238-F267 HydrophobicContact CE2-CE1 4.22Å; F238-F267 HydrophobicContact CG-CD1 4.16Å; F238-F267 HydrophobicContact CG-CE1 4.48Å; F238-F267 AromaticContact CZ-CD1 3.85Å; F238-F267 HydrophobicContact CZ-CD1 3.85Å; F238-F267 AromaticContact CZ-CE1 3.76Å; F238-F267 HydrophobicContact CZ-CE1 3.76Å; M258-F267 HydrophobicContact CE-CB 3.75Å; M258-F267 HydrophobicContact CE-CD2 4.39Å; M258-F267 HydrophobicContact CE-CG 3.98Å; M258-F267 HydrophobicContact SD-CB 3.84Å; M258-F267 HydrophobicContact SD-CD1 4.16Å; M258-F267 HydrophobicContact SD-CG 4.11Å; A263-F267 WeakPolarHBondContact O-CB 3.18Å; A263-F267 PolarHBondContact O-N 3.25Å; C264-F267 PolarHBondContact O-N 2.98Å; F267-K269 VanDerWaalsContact C-N 3.3Å; F267-K269 PolarHBondContact O-N 3.25Å; F267-T270 WeakPolarHBondContact O-CB 3.45Å; F267-T270 PolarHBondContact O-N 3.44Å; F267-T270 VanDerWaalsContact O-N 3.1Å; F267-C271 PolarHBondContact O-N 3.24Å; F267-C271 PolarHBondContact O-SG 2.81Å; F267-C271 VanDerWaalsContact O-SG 3.37Å
268W96.6Very high95.2Very high5 Ų530.1 Ų30.12%0.01917%0.167CC..Hα-helixtrans-58-40174.9173.583.1000112.7L231 F233 F238 C264 A266 C271 V272 S297 F299 L684L231-W268 PolarHBondContact O-NE1 3Å; F233-W268 HydrophobicContact CD1-CB 3.81Å; F233-W268 HydrophobicContact CD1-CD2 4.01Å; F233-W268 HydrophobicContact CD1-CE3 4.46Å; F233-W268 AromaticContact CD1-CG 3.69Å; F233-W268 HydrophobicContact CD1-CG 3.69Å; F233-W268 HydrophobicContact CE1-CB 4.33Å; F233-W268 AromaticContact CE1-CD2 3.94Å; F233-W268 HydrophobicContact CE1-CD2 3.94Å; F233-W268 AromaticContact CE1-CE3 3.96Å; F233-W268 HydrophobicContact CE1-CE3 3.96Å; F233-W268 HydrophobicContact CE1-CG 4.1Å; F238-W268 HydrophobicContact CD2-CB 4.4Å; F238-W268 HydrophobicContact CE2-CB 3.97Å; C264-W268 WeakPolarHBondContact O-CB 3.37Å; C264-W268 PolarHBondContact O-N 2.91Å; A266-W268 PolarHBondContact O-N 3.19Å; W268-C271 WeakPolarHBondContact O-CB 3.33Å; W268-C271 PolarHBondContact O-N 3.33Å; W268-V272 HydrophobicContact CD2-CG2 4.07Å; W268-V272 HydrophobicContact CE3-CG2 4.35Å; W268-V272 HydrophobicContact CH2-CG2 3.99Å; W268-V272 HydrophobicContact CZ2-CG2 3.7Å; W268-V272 HydrophobicContact CZ3-CG2 4.31Å; W268-V272 VanDerWaalsContact O-CG2 3.26Å; W268-V272 WeakPolarHBondContact O-CG2 3.43Å; W268-V272 PolarHBondContact O-N 3.19Å; W268-S297 WeakPolarHBondContact CZ3-OG 3.28Å; W268-F299 HydrophobicContact CH2-CB 4.37Å; W268-F299 HydrophobicContact CZ3-CB 3.99Å; W268-F299 HydrophobicContact CZ3-CD1 4.18Å; W268-F299 HydrophobicContact CZ3-CG 4.46Å; W268-L684 HydrophobicContact CZ2-CB 4.33Å
269K95.6Very high95.2Very high29 Ų2936.7 Ų36.713%0.12619%0.191CC..Hα-helixtrans-64.6-43.4174.5-70177.1-161.6157.20111.5E58 K265 A266 F267 C271 V272 E273 F299E58-K269 WeakPolarHBondContact OE1-CE 3.34Å; E58-K269 IonicContact OE1-NZ 2.72Å; E58-K269 PolarHBondContact OE1-NZ 3.34Å; K265-K269 VanDerWaalsContact O-CG 3.32Å; K265-K269 WeakPolarHBondContact O-CG 3.33Å; K265-K269 PolarHBondContact O-N 3.44Å; K265-K269 VanDerWaalsContact O-N 3.1Å; A266-K269 WeakPolarHBondContact O-CB 3.45Å; A266-K269 PolarHBondContact O-N 3.33Å; A266-K269 VanDerWaalsContact O-N 3.13Å; F267-K269 VanDerWaalsContact C-N 3.3Å; F267-K269 PolarHBondContact O-N 3.25Å; K269-C271 VanDerWaalsContact C-N 3.29Å; K269-C271 PolarHBondContact O-N 3.1Å; K269-V272 WeakPolarHBondContact O-CB 3.4Å; K269-V272 PolarHBondContact O-N 2.91Å; K269-V272 VanDerWaalsContact O-N 3.11Å; K269-E273 WeakPolarHBondContact O-CG 3.45Å; K269-E273 PolarHBondContact O-N 3.41Å; K269-F299 HydrophobicContact CB-CD1 3.89Å; K269-F299 HydrophobicContact CB-CE1 3.51Å; K269-F299 HydrophobicContact CB-CE2 4.34Å; K269-F299 HydrophobicContact CB-CG 4.44Å; K269-F299 HydrophobicContact CB-CZ 3.76Å; K269-F299 HydrophobicContact CD-CD1 4.3Å; K269-F299 HydrophobicContact CD-CD2 3.82Å; K269-F299 HydrophobicContact CD-CE1 4.35Å; K269-F299 HydrophobicContact CD-CE2 3.88Å; K269-F299 HydrophobicContact CD-CG 4.02Å; K269-F299 HydrophobicContact CD-CZ 4.14Å; K269-F299 HydrophobicContact CG-CB 4.41Å; K269-F299 HydrophobicContact CG-CD1 3.58Å; K269-F299 HydrophobicContact CG-CD2 4.03Å; K269-F299 HydrophobicContact CG-CE1 3.73Å; K269-F299 HydrophobicContact CG-CE2 4.17Å; K269-F299 HydrophobicContact CG-CG 3.73Å; K269-F299 HydrophobicContact CG-CZ 4.01Å
270T96.4Very high95.2Very high13 Ų1334.2 Ų34.28%0.0817%0.165CC..Hα-helixtrans-56.6-44.5174.8-53.80000110.7V206 A266 F267 V272 E273 Y274V206-T270 HydrophobicContact CB-CG2 4.14Å; V206-T270 HydrophobicContact CG2-CG2 4.01Å; A266-T270 PolarHBondContact O-N 3.02Å; A266-T270 PolarHBondContact O-OG1 2.89Å; F267-T270 WeakPolarHBondContact O-CB 3.45Å; F267-T270 PolarHBondContact O-N 3.44Å; F267-T270 VanDerWaalsContact O-N 3.1Å; T270-V272 PolarHBondContact O-N 3.17Å; T270-E273 PolarHBondContact O-N 3Å; T270-Y274 HydrophobicContact CG2-CD2 3.71Å; T270-Y274 HydrophobicContact CG2-CE2 3.7Å; T270-Y274 WeakPolarHBondContact O-CB 3.46Å; T270-Y274 WeakPolarHBondContact O-CD2 3.18Å; T270-Y274 PolarHBondContact O-N 3.13Å
271C97.4Very high95.1Very high0 Ų033.9 Ų33.90%016%0.163CC..Hα-helixtrans-58.7-46.5173.8-620000112.7V206 W225 L231 F267 W268 K269 E273 Y274 H275V206-C271 VanDerWaalsContact CG2-SG 3.54Å; W225-C271 HydrophobicContact CH2-CB 4.32Å; L231-C271 HydrophobicContact CD1-CB 3.48Å; L231-C271 VanDerWaalsContact CD1-CB 3.48Å; F267-C271 PolarHBondContact O-N 3.24Å; F267-C271 PolarHBondContact O-SG 2.81Å; F267-C271 VanDerWaalsContact O-SG 3.37Å; W268-C271 WeakPolarHBondContact O-CB 3.33Å; W268-C271 PolarHBondContact O-N 3.33Å; K269-C271 VanDerWaalsContact C-N 3.29Å; K269-C271 PolarHBondContact O-N 3.1Å; C271-E273 VanDerWaalsContact C-N 3.31Å; C271-E273 PolarHBondContact O-N 3.26Å; C271-Y274 PolarHBondContact O-N 3.03Å; C271-H275 VanDerWaalsContact O-CB 3.27Å; C271-H275 WeakPolarHBondContact O-CB 3.5Å; C271-H275 PolarHBondContact O-N 3.35Å
272V95.9Very high95Very high9 Ų931.8 Ų31.86%0.05516%0.16CC..Hα-helixtrans-58.5-44.4178.1172.30000110.8W268 K269 T270 A276 F299 L684W268-V272 HydrophobicContact CD2-CG2 4.07Å; W268-V272 HydrophobicContact CE3-CG2 4.35Å; W268-V272 HydrophobicContact CH2-CG2 3.99Å; W268-V272 HydrophobicContact CZ2-CG2 3.7Å; W268-V272 HydrophobicContact CZ3-CG2 4.31Å; W268-V272 VanDerWaalsContact O-CG2 3.26Å; W268-V272 WeakPolarHBondContact O-CG2 3.43Å; W268-V272 PolarHBondContact O-N 3.19Å; K269-V272 WeakPolarHBondContact O-CB 3.4Å; K269-V272 PolarHBondContact O-N 2.91Å; K269-V272 VanDerWaalsContact O-N 3.11Å; T270-V272 PolarHBondContact O-N 3.17Å; V272-A276 VanDerWaalsContact O-CB 3.27Å; V272-A276 WeakPolarHBondContact O-CB 3.43Å; V272-A276 PolarHBondContact O-N 3.39Å; V272-F299 HydrophobicContact CB-CD1 4.32Å; V272-F299 HydrophobicContact CB-CE1 4.19Å; V272-F299 HydrophobicContact CG1-CD1 4.14Å; V272-F299 HydrophobicContact CG1-CE1 4.15Å; V272-L684 HydrophobicContact CB-CD2 4.27Å; V272-L684 HydrophobicContact CG1-CD1 4.39Å; V272-L684 HydrophobicContact CG2-CB 4.1Å; V272-L684 HydrophobicContact CG2-CD1 4.36Å; V272-L684 HydrophobicContact CG2-CD2 3.79Å; V272-L684 HydrophobicContact CG2-CG 4.3Å
273E96.6Very high94.9Very high15 Ų1530.9 Ų30.97%0.0715%0.152CC..Hα-helixtrans-69.6-45.3-179-69.9-178.5115.400112.6K80 F81 K269 T270 C271 A276 F277 F299 Y301K80-E273 WeakPolarHBondContact CE-OE2 3.31Å; K80-E273 IonicContact NZ-OE1 3.54Å; K80-E273 PolarHBondContact NZ-OE1 3.39Å; K80-E273 IonicContact NZ-OE2 2.91Å; K80-E273 PolarHBondContact NZ-OE2 3.33Å; F81-E273 HydrophobicContact CE1-CB 4.13Å; F81-E273 HydrophobicContact CZ-CB 3.99Å; K269-E273 WeakPolarHBondContact O-CG 3.45Å; K269-E273 PolarHBondContact O-N 3.41Å; T270-E273 PolarHBondContact O-N 3Å; C271-E273 VanDerWaalsContact C-N 3.31Å; C271-E273 PolarHBondContact O-N 3.26Å; E273-A276 PolarHBondContact O-N 3.11Å; E273-F277 VanDerWaalsContact O-CB 3.31Å; E273-F277 WeakPolarHBondContact O-CB 3.5Å; E273-F277 PolarHBondContact O-N 2.92Å; E273-F299 HydrophobicContact CG-CE1 3.71Å; E273-F299 HydrophobicContact CG-CZ 3.61Å; E273-Y301 HydrophobicContact CB-CD2 4.19Å; E273-Y301 HydrophobicContact CG-CD2 4.19Å
274Y97.3Very high94.6Very high13 Ų1331.3 Ų31.35%0.05115%0.153CC..Hα-helixtrans-63.2-45.5177.3-93.3-109.6000111.6K80 F81 V206 T270 C271 A276 F277 F278K80-Y274 PolarHBondContact O-OH 2.83Å; F81-Y274 HydrophobicContact CD1-CD1 4.27Å; F81-Y274 AromaticContact CD1-CD2 3.77Å; F81-Y274 HydrophobicContact CD1-CD2 3.77Å; F81-Y274 HydrophobicContact CD1-CE1 4.33Å; F81-Y274 AromaticContact CD1-CE2 3.81Å; F81-Y274 HydrophobicContact CD1-CE2 3.81Å; F81-Y274 HydrophobicContact CD1-CG 4.03Å; F81-Y274 AromaticContact CE1-CD2 3.62Å; F81-Y274 HydrophobicContact CE1-CD2 3.62Å; F81-Y274 AromaticContact CE1-CE2 3.97Å; F81-Y274 HydrophobicContact CE1-CE2 3.97Å; F81-Y274 HydrophobicContact CE1-CG 4.08Å; V206-Y274 HydrophobicContact CB-CD1 4.48Å; V206-Y274 HydrophobicContact CB-CD2 4.41Å; V206-Y274 HydrophobicContact CB-CG 4.28Å; V206-Y274 VanDerWaalsContact CG1-CB 3.5Å; V206-Y274 HydrophobicContact CG1-CD1 3.86Å; V206-Y274 HydrophobicContact CG1-CD2 4.04Å; V206-Y274 HydrophobicContact CG1-CG 3.54Å; T270-Y274 HydrophobicContact CG2-CD2 3.71Å; T270-Y274 HydrophobicContact CG2-CE2 3.7Å; T270-Y274 WeakPolarHBondContact O-CB 3.46Å; T270-Y274 WeakPolarHBondContact O-CD2 3.18Å; T270-Y274 PolarHBondContact O-N 3.13Å; C271-Y274 PolarHBondContact O-N 3.03Å; Y274-A276 PolarHBondContact O-N 3.47Å; Y274-F277 PolarHBondContact O-N 3.3Å; Y274-F278 AromaticContact CD1-CD2 3.9Å; Y274-F278 HydrophobicContact CD1-CD2 3.9Å; Y274-F278 AromaticContact CD1-CE2 3.62Å; Y274-F278 HydrophobicContact CD1-CE2 3.62Å; Y274-F278 AromaticContact CE1-CE2 3.94Å; Y274-F278 HydrophobicContact CE1-CE2 3.94Å; Y274-F278 HydrophobicContact CG-CD2 4.47Å; Y274-F278 HydrophobicContact CG-CE2 4.42Å; Y274-F278 WeakPolarHBondContact O-CB 3.46Å; Y274-F278 WeakPolarHBondContact O-CD2 3.28Å; Y274-F278 PolarHBondContact O-N 3.1Å
275H96.4Very high94.1Very high22 Ų2239.6 Ų39.610%0.10219%0.189CC..Hα-helixtrans-57.1-51.9174.8178.1-81.3000110.3W225 C271 F277 R279 L686W225-H275 HydrophobicContact CD2-CB 4.48Å; W225-H275 HydrophobicContact CE3-CB 4.33Å; W225-H275 AromaticContact CE3-CD2 4Å; W225-H275 HydrophobicContact CZ3-CB 4.37Å; C271-H275 VanDerWaalsContact O-CB 3.27Å; C271-H275 WeakPolarHBondContact O-CB 3.5Å; C271-H275 PolarHBondContact O-N 3.35Å; H275-F277 PolarHBondContact O-N 2.93Å; H275-R279 WeakPolarHBondContact O-CA 3.49Å; H275-R279 WeakPolarHBondContact O-CB 3.33Å; H275-R279 PolarHBondContact O-N 2.91Å; H275-L686 VanDerWaalsContact CE1-CD2 3.46Å; H275-L686 WeakPolarHBondContact CE1-CD2 3.49Å; H275-L686 WeakPolarHBondContact NE2-CD2 3.41Å
276A96.4Very high93.4Very high3 Ų340.6 Ų40.63%0.02520%0.203CC..Hα-helixtrans-60.2-45.4-178.900000112.8V272 E273 Y274 L280 P284 Y301V272-A276 VanDerWaalsContact O-CB 3.27Å; V272-A276 WeakPolarHBondContact O-CB 3.43Å; V272-A276 PolarHBondContact O-N 3.39Å; E273-A276 PolarHBondContact O-N 3.11Å; Y274-A276 PolarHBondContact O-N 3.47Å; A276-L280 HydrophobicContact CB-CD1 3.92Å; A276-L280 WeakPolarHBondContact O-CB 3.49Å; A276-L280 PolarHBondContact O-N 3.37Å; A276-P284 HydrophobicContact CB-CG 4.17Å; A276-Y301 HydrophobicContact CB-CD1 3.8Å; A276-Y301 HydrophobicContact CB-CG 3.67Å
277F96.8Very high92.3Very high0 Ų048 Ų480%023%0.23CC..Hα-helixtrans-66.6-45.5-177.2179.2-107.9000113E41 Y42 F81 E273 Y274 H275 Y301 Q306 L309E41-F277 HydrophobicContact CB-CE2 3.92Å; Y42-F277 HydrophobicContact CD1-CE1 4.1Å; Y42-F277 AromaticContact CD1-CZ 3.81Å; Y42-F277 HydrophobicContact CD1-CZ 3.81Å; Y42-F277 AromaticContact CE1-CE1 3.86Å; Y42-F277 HydrophobicContact CE1-CE1 3.86Å; Y42-F277 AromaticContact CE1-CZ 3.57Å; Y42-F277 HydrophobicContact CE1-CZ 3.57Å; F81-F277 HydrophobicContact CB-CD1 3.65Å; F81-F277 HydrophobicContact CB-CE1 3.53Å; F81-F277 HydrophobicContact CB-CZ 4.32Å; F81-F277 HydrophobicContact CD1-CB 4.21Å; F81-F277 AromaticContact CD1-CD1 3.87Å; F81-F277 HydrophobicContact CD1-CD1 3.87Å; F81-F277 HydrophobicContact CD1-CG 4.2Å; F81-F277 AromaticContact CD2-CD1 3.93Å; F81-F277 HydrophobicContact CD2-CD1 3.93Å; F81-F277 HydrophobicContact CD2-CD2 4.27Å; F81-F277 HydrophobicContact CD2-CE1 4.17Å; F81-F277 HydrophobicContact CD2-CE2 4.48Å; F81-F277 AromaticContact CD2-CG 3.97Å; F81-F277 HydrophobicContact CD2-CG 3.97Å; F81-F277 HydrophobicContact CD2-CZ 4.43Å; F81-F277 HydrophobicContact CE1-CB 4Å; F81-F277 HydrophobicContact CE1-CD1 4.49Å; F81-F277 HydrophobicContact CE1-CG 4.38Å; F81-F277 HydrophobicContact CE2-CB 4.34Å; F81-F277 HydrophobicContact CE2-CD2 4.39Å; F81-F277 HydrophobicContact CE2-CG 4.17Å; F81-F277 HydrophobicContact CG-CB 4.47Å; F81-F277 AromaticContact CG-CD1 3.55Å; F81-F277 HydrophobicContact CG-CD1 3.55Å; F81-F277 AromaticContact CG-CE1 3.88Å; F81-F277 HydrophobicContact CG-CE1 3.88Å; F81-F277 AromaticContact CG-CG 3.98Å; F81-F277 HydrophobicContact CG-CG 3.98Å; F81-F277 HydrophobicContact CZ-CB 4.05Å; F81-F277 HydrophobicContact CZ-CG 4.35Å; E273-F277 VanDerWaalsContact O-CB 3.31Å; E273-F277 WeakPolarHBondContact O-CB 3.5Å; E273-F277 PolarHBondContact O-N 2.92Å; Y274-F277 PolarHBondContact O-N 3.3Å; H275-F277 PolarHBondContact O-N 2.93Å; F277-Y301 HydrophobicContact CB-CE2 4.35Å; F277-Y301 WeakPolarHBondContact CD2-OH 3.36Å; F277-Q306 HydrophobicContact CD1-CB 4.44Å; F277-Q306 HydrophobicContact CE1-CB 4.02Å; F277-Q306 HydrophobicContact CE2-CB 4.28Å; F277-Q306 HydrophobicContact CZ-CB 3.94Å; F277-Q306 HydrophobicContact CZ-CG 4.43Å; F277-Q306 WeakPolarHBondContact O-CB 3.5Å; F277-Q306 PolarHBondContact O-N 3.44Å; F277-L309 HydrophobicContact CE2-CD1 3.94Å; F277-L309 HydrophobicContact CZ-CD1 4.06Å
278F95.8Very high91Very high28 Ų2853.9 Ų53.912%0.12327%0.268CS..Hα-helixtrans-89.5-23.3-173.5-74-69.9000114.4F81 F82 H208 Y274F81-F278 HydrophobicContact CB-CE2 4.01Å; F81-F278 HydrophobicContact CB-CZ 3.9Å; F81-F278 HydrophobicContact CD1-CE2 4.01Å; F81-F278 HydrophobicContact CG-CE2 4.4Å; F82-F278 WeakPolarHBondContact O-CZ 3.45Å; H208-F278 HydrophobicContact CB-CD1 3.71Å; H208-F278 HydrophobicContact CB-CD2 3.91Å; H208-F278 HydrophobicContact CB-CE1 3.8Å; H208-F278 HydrophobicContact CB-CE2 3.96Å; H208-F278 HydrophobicContact CB-CG 3.8Å; H208-F278 HydrophobicContact CB-CZ 3.92Å; Y274-F278 AromaticContact CD1-CD2 3.9Å; Y274-F278 HydrophobicContact CD1-CD2 3.9Å; Y274-F278 AromaticContact CD1-CE2 3.62Å; Y274-F278 HydrophobicContact CD1-CE2 3.62Å; Y274-F278 AromaticContact CE1-CE2 3.94Å; Y274-F278 HydrophobicContact CE1-CE2 3.94Å; Y274-F278 HydrophobicContact CG-CD2 4.47Å; Y274-F278 HydrophobicContact CG-CE2 4.42Å; Y274-F278 WeakPolarHBondContact O-CB 3.46Å; Y274-F278 WeakPolarHBondContact O-CD2 3.28Å; Y274-F278 PolarHBondContact O-N 3.1Å
279R94.8Very high89.2Confident146 Ų14661.6 Ų61.655%0.55130%0.302SS*.Hα-helixtrans-112.4-31.2-172.2-62.2-66.7-63.4170.11.4114.8W225 H275W225-R279 HydrophobicContact CB-CG 4.24Å; W225-R279 HydrophobicContact CG-CG 4.1Å; H275-R279 WeakPolarHBondContact O-CA 3.49Å; H275-R279 WeakPolarHBondContact O-CB 3.33Å; H275-R279 PolarHBondContact O-N 2.91Å
280L93.6Very high87.5Confident39 Ų3965.1 Ų65.120%0.20433%0.326CS..  trans-83144.4-175.7-59.9179.3000111.4A276 E282 P284 T305A276-L280 HydrophobicContact CB-CD1 3.92Å; A276-L280 WeakPolarHBondContact O-CB 3.49Å; A276-L280 PolarHBondContact O-N 3.37Å; L280-E282 VanDerWaalsContact C-N 3.34Å; L280-P284 HydrophobicContact CD1-CG 3.64Å; L280-T305 HydrophobicContact CB-CG2 4.26Å; L280-T305 WeakPolarHBondContact O-CB 3.17Å; L280-T305 WeakPolarHBondContact O-CG2 3.42Å; L280-T305 PolarHBondContact O-OG1 3.37Å
281S91.2Very high85.8Confident38 Ų3873.1 Ų73.127%0.26637%0.367SS..SBendtrans-67-37.2173.355.90000111.5T305 Q308 E689S281-T305 PolarHBondContact O-OG1 3.35Å; S281-Q308 WeakPolarHBondContact O-CG 3.24Å; S281-E689 PolarHBondContact OG-OE2 3.26Å
282E91.3Very high83.9Confident106 Ų10681.1 Ų81.150%0.49541%0.409SS..SBendtrans-135.8165.6-176.1-60.1-170160.800114.2L280 T305L280-E282 VanDerWaalsContact C-N 3.34Å; E282-T305 WeakPolarHBondContact O-CG2 3.46Å
283E89.9Confident81.8Confident69 Ų6985.6 Ų85.632%0.32244%0.44SS..PPolyproline II helixtrans-60.1129.5172.7-175.8175.7173.300110.8K285 S302 G303E283-K285 PolarHBondContact O-N 3.06Å; E283-K285 VanDerWaalsContact O-N 3.15Å; E283-S302 WeakPolarHBondContact OE1-CA 3.45Å; E283-S302 VanDerWaalsContact OE1-CB 3.28Å; E283-S302 WeakPolarHBondContact OE1-CB 3.48Å; E283-S302 PolarHBondContact OE1-OG 2.86Å; E283-G303 WeakPolarHBondContact CB-O 3.38Å; E283-G303 VanDerWaalsContact CD-N 3.27Å; E283-G303 PolarHBondContact OE1-N 2.92Å; E283-G303 PolarHBondContact OE2-N 2.94Å
284P87.6Confident79.7Confident37 Ų3789.8 Ų89.824%0.2447%0.471CS..PPolyproline II helixtrans-58.3118.8177.4-26.134.2000113.2A276 L280A276-P284 HydrophobicContact CB-CG 4.17Å; L280-P284 HydrophobicContact CD1-CG 3.64Å
285K83.8Confident77.7Confident174 Ų17496.9 Ų96.976%0.75750%0.502SS*.PPolyproline II helixtrans-66.4145.2176.8-65.4176.4-175.7166.90111.2E283 K287E283-K285 PolarHBondContact O-N 3.06Å; E283-K285 VanDerWaalsContact O-N 3.15Å; K285-K287 PolarHBondContact O-N 3.1Å
286S78Confident76.3Confident78 Ų7897.7 Ų97.755%0.54552%0.516SS..PPolyproline II helixtrans-70.2116.5174.257.30000110.3
287K72Confident75.2Confident185 Ų18598.8 Ų98.880%0.80452%0.524SS*.PPolyproline II helixtrans-69.1131.2169.5-61.9-171.6180-174.10109.3K285 K289K285-K287 PolarHBondContact O-N 3.1Å; K287-K289 PolarHBondContact O-N 3.01Å
288P66.9Low74.5Confident123 Ų123102.6 Ų102.680%0.79955%0.551SS**PPolyproline II helixtrans-59.3132.717521.6-29.2000109.4T290P288-T290 PolarHBondContact O-N 3.13Å
289K60.2Low74.2Confident166 Ų166102.7 Ų102.772%0.72255%0.551SS**  trans-72.1113.1-179.8-68.9-179.1-179.71760108.3K287 L291K287-K289 PolarHBondContact O-N 3.01Å; K289-L291 PolarHBondContact O-N 3.49Å
290T58.6Low74Confident104 Ų104100 Ų10064%0.63854%0.541SS*.  trans-62.7130.2165.646.80000108.6P288 L292 C293P288-T290 PolarHBondContact O-N 3.13Å; T290-L292 PolarHBondContact O-N 3.08Å; T290-C293 PolarHBondContact O-N 2.87Å
291L61.2Low74.1Confident180 Ų18098.5 Ų98.594%0.94253%0.533SS*.THydrogen-bonded Turntrans-57.1-14.7-168.8-73.4161.6000114.4K289K289-L291 PolarHBondContact O-N 3.49Å
292L58.1Low74.1Confident168 Ų16897.2 Ų97.288%0.8852%0.523SS*.THydrogen-bonded Turntrans-108.9-4.9-172.4-61.5173.2000115T290T290-L292 PolarHBondContact O-N 3.08Å
293C50.9Low74.2Confident103 Ų10392.8 Ų92.870%0.69651%0.506SS*.  trans-131.960.8-174.7-77.20000113.1T290 K295T290-C293 PolarHBondContact O-N 2.87Å; C293-K295 VanDerWaalsContact C-N 3.34Å
294S52.9Low74.4Confident104 Ų10492.5 Ų92.573%0.72750%0.502SS*.  trans-86.41.2176.765.90000114.6G296S294-G296 PolarHBondContact O-N 2.86Å
295K56Low74.8Confident161 Ų16190.7 Ų90.770%0.749%0.491SS*.  trans-85.675.4-170.8-126.9172.1-174.8174.20111.4C293 R678C293-K295 VanDerWaalsContact C-N 3.34Å; K295-R678 WeakPolarHBondContact CE-O 3.35Å
296G65.8Low75.3Confident39 Ų3983.5 Ų83.540%0.40246%0.46SS..SBendtrans-178164.9176.600000112.5S294 S298S294-G296 PolarHBondContact O-N 2.86Å; G296-S298 PolarHBondContact O-N 3.07Å
297S74.2Confident76Confident26 Ų2684.6 Ų84.618%0.18245%0.452CS..  trans-71.8112.9172.1-172.70000109.3W268 F299W268-S297 WeakPolarHBondContact CZ3-OG 3.28Å; S297-F299 PolarHBondContact O-N 3.33Å; S297-F299 VanDerWaalsContact O-N 3.17Å; S297-F299 WeakPolarHBondContact OG-CB 3.41Å
298S81.2Confident77Confident81 Ų8178.1 Ų78.157%0.56642%0.424SS*.  trans-81.922.8174.272.50000113G296G296-S298 PolarHBondContact O-N 3.07Å
299F89.9Confident78.1Confident30 Ų3072.8 Ų72.813%0.13239%0.389CS..  trans-70.4139.7-178.3177.4-94.3000109.7E58 W268 K269 V272 E273 S297E58-F299 HydrophobicContact CB-CE2 4.41Å; E58-F299 HydrophobicContact CG-CD2 4.42Å; E58-F299 HydrophobicContact CG-CE2 4.05Å; E58-F299 WeakPolarHBondContact OE2-CD2 3.42Å; W268-F299 HydrophobicContact CH2-CB 4.37Å; W268-F299 HydrophobicContact CZ3-CB 3.99Å; W268-F299 HydrophobicContact CZ3-CD1 4.18Å; W268-F299 HydrophobicContact CZ3-CG 4.46Å; K269-F299 HydrophobicContact CB-CD1 3.89Å; K269-F299 HydrophobicContact CB-CE1 3.51Å; K269-F299 HydrophobicContact CB-CE2 4.34Å; K269-F299 HydrophobicContact CB-CG 4.44Å; K269-F299 HydrophobicContact CB-CZ 3.76Å; K269-F299 HydrophobicContact CD-CD1 4.3Å; K269-F299 HydrophobicContact CD-CD2 3.82Å; K269-F299 HydrophobicContact CD-CE1 4.35Å; K269-F299 HydrophobicContact CD-CE2 3.88Å; K269-F299 HydrophobicContact CD-CG 4.02Å; K269-F299 HydrophobicContact CD-CZ 4.14Å; K269-F299 HydrophobicContact CG-CB 4.41Å; K269-F299 HydrophobicContact CG-CD1 3.58Å; K269-F299 HydrophobicContact CG-CD2 4.03Å; K269-F299 HydrophobicContact CG-CE1 3.73Å; K269-F299 HydrophobicContact CG-CE2 4.17Å; K269-F299 HydrophobicContact CG-CG 3.73Å; K269-F299 HydrophobicContact CG-CZ 4.01Å; V272-F299 HydrophobicContact CB-CD1 4.32Å; V272-F299 HydrophobicContact CB-CE1 4.19Å; V272-F299 HydrophobicContact CG1-CD1 4.14Å; V272-F299 HydrophobicContact CG1-CE1 4.15Å; E273-F299 HydrophobicContact CG-CE1 3.71Å; E273-F299 HydrophobicContact CG-CZ 3.61Å; S297-F299 PolarHBondContact O-N 3.33Å; S297-F299 VanDerWaalsContact O-N 3.17Å; S297-F299 WeakPolarHBondContact OG-CB 3.41Å
300R91.5Very high79.5Confident90 Ų9067.2 Ų67.234%0.3437%0.367SS..  trans-149156.1177.263.5179-174.7-85.42.5109.3L60L60-R300 HydrophobicContact CD1-CG 3.72Å
301Y94.2Very high80.9Confident7 Ų766.1 Ų66.13%0.02735%0.354CS..  trans-61.2148.5167.3179.7-112.7000110.8F81 E273 A276 F277 G303 R304F81-Y301 HydrophobicContact CE2-CE2 4.11Å; F81-Y301 HydrophobicContact CZ-CD2 4.48Å; F81-Y301 AromaticContact CZ-CE2 4Å; F81-Y301 HydrophobicContact CZ-CE2 4Å; E273-Y301 HydrophobicContact CB-CD2 4.19Å; E273-Y301 HydrophobicContact CG-CD2 4.19Å; A276-Y301 HydrophobicContact CB-CD1 3.8Å; A276-Y301 HydrophobicContact CB-CG 3.67Å; F277-Y301 HydrophobicContact CB-CE2 4.35Å; F277-Y301 WeakPolarHBondContact CD2-OH 3.36Å; Y301-G303 WeakPolarHBondContact CE1-O 3.29Å; Y301-R304 PolarHBondContact OH-O 3.21Å
302S92.6Very high81.7Confident10 Ų1061.8 Ų61.87%0.0733%0.326CS..  trans-144.5128.9169.9-175.30000111.1K25 E283K25-S302 PolarHBondContact NZ-OG 3.32Å; E283-S302 WeakPolarHBondContact OE1-CA 3.45Å; E283-S302 VanDerWaalsContact OE1-CB 3.28Å; E283-S302 WeakPolarHBondContact OE1-CB 3.48Å; E283-S302 PolarHBondContact OE1-OG 2.86Å
303G92.5Very high82.1Confident13 Ų1353.9 Ų53.913%0.13429%0.286CS..SBendtrans133168.8-168.800000111.1E283 Y301E283-G303 WeakPolarHBondContact CB-O 3.38Å; E283-G303 VanDerWaalsContact CD-N 3.27Å; E283-G303 PolarHBondContact OE1-N 2.92Å; E283-G303 PolarHBondContact OE2-N 2.94Å; Y301-G303 WeakPolarHBondContact CE1-O 3.29Å
304R94.4Very high82.9Confident63 Ų6359.7 Ų59.724%0.23829%0.293CS..  trans-65.6146.5173.9-66.5174.7-68.7173.54.8110.6A38 E41 Y301 Q308 L309A38-R304 PolarHBondContact O-NH2 3.39Å; E41-R304 HydrophobicContact CG-CB 4.05Å; E41-R304 IonicContact OE1-CZ 3.39Å; E41-R304 IonicContact OE1-NE 2.93Å; E41-R304 PolarHBondContact OE1-NE 3.26Å; E41-R304 IonicContact OE1-NH2 2.75Å; E41-R304 PolarHBondContact OE1-NH2 3.12Å; E41-R304 IonicContact OE2-CZ 2.63Å; E41-R304 IonicContact OE2-NE 3.6Å; E41-R304 IonicContact OE2-NH2 3.4Å; E41-R304 PolarHBondContact OE2-NH2 3.16Å; Y301-R304 PolarHBondContact OH-O 3.21Å; R304-Q308 VanDerWaalsContact CA-OE1 3.27Å; R304-Q308 HydrophobicContact CB-CB 4.08Å; R304-L309 HydrophobicContact CB-CD2 4.18Å; R304-L309 HydrophobicContact CB-CG 4.39Å
305T95.6Very high83.5Confident0 Ų061.6 Ų61.60%029%0.288CS..  trans-78.2166.3170.365.80000110.3L280 S281 E282 R307 Q308 L309L280-T305 HydrophobicContact CB-CG2 4.26Å; L280-T305 WeakPolarHBondContact O-CB 3.17Å; L280-T305 WeakPolarHBondContact O-CG2 3.42Å; L280-T305 PolarHBondContact O-OG1 3.37Å; S281-T305 PolarHBondContact O-OG1 3.35Å; E282-T305 WeakPolarHBondContact O-CG2 3.46Å; T305-R307 VanDerWaalsContact C-N 3.25Å; T305-R307 PolarHBondContact O-N 3.4Å; T305-Q308 PolarHBondContact O-N 3.24Å; T305-Q308 WeakPolarHBondContact OG1-CG 3.24Å; T305-Q308 PolarHBondContact OG1-N 2.87Å; T305-L309 WeakPolarHBondContact O-CG 3.21Å; T305-L309 PolarHBondContact O-N 3.47Å
306Q94.1Very high83.5Confident23 Ų2357.1 Ų57.111%0.10729%0.287CS..Hα-helixtrans-59-40.8175.3-171.9-175.914.400111.2F277 Q308 L309 L310F277-Q306 HydrophobicContact CD1-CB 4.44Å; F277-Q306 HydrophobicContact CE1-CB 4.02Å; F277-Q306 HydrophobicContact CE2-CB 4.28Å; F277-Q306 HydrophobicContact CZ-CB 3.94Å; F277-Q306 HydrophobicContact CZ-CG 4.43Å; F277-Q306 WeakPolarHBondContact O-CB 3.5Å; F277-Q306 PolarHBondContact O-N 3.44Å; Q306-Q308 VanDerWaalsContact C-N 3.32Å; Q306-Q308 PolarHBondContact O-N 3.06Å; Q306-L309 WeakPolarHBondContact O-CB 3.4Å; Q306-L309 PolarHBondContact O-N 3.46Å; Q306-L309 VanDerWaalsContact O-N 3.11Å; Q306-L310 HydrophobicContact CG-CD1 4.2Å; Q306-L310 HydrophobicContact CG-CG 4.4Å; Q306-L310 WeakPolarHBondContact O-CG 3.37Å; Q306-L310 PolarHBondContact O-N 3.43Å
307R92.6Very high83.1Confident101 Ų10163.7 Ų63.738%0.38130%0.3SS..Hα-helixtrans-57-47.3176.4-169.6-171.4-175.6132.70.3111.3T305 L309 L310 E311 E691T305-R307 VanDerWaalsContact C-N 3.25Å; T305-R307 PolarHBondContact O-N 3.4Å; R307-L309 VanDerWaalsContact C-N 3.31Å; R307-L309 PolarHBondContact O-N 2.86Å; R307-L310 PolarHBondContact O-N 3.25Å; R307-E311 HydrophobicContact CG-CG 4.47Å; R307-E311 WeakPolarHBondContact CG-OE1 3.48Å; R307-E311 IonicContact CZ-OE1 3.3Å; R307-E311 IonicContact NE-OE1 3.22Å; R307-E311 PolarHBondContact NE-OE1 3.24Å; R307-E311 WeakPolarHBondContact O-CB 3.46Å; R307-E311 WeakPolarHBondContact O-CG 3.42Å; R307-E311 PolarHBondContact O-N 3.49Å; R307-E691 IonicContact CZ-OE1 3.31Å; R307-E691 IonicContact NH1-OE1 3.79Å; R307-E691 PolarHBondContact NH1-OE1 3Å; R307-E691 IonicContact NH2-OE1 2.62Å
308Q92.8Very high82.3Confident49 Ų4964.3 Ų64.323%0.22930%0.301CS..Hα-helixtrans-62-36.4176.7-70.6176.3-3900112.6S281 R304 T305 Q306 Y312S281-Q308 WeakPolarHBondContact O-CG 3.24Å; R304-Q308 VanDerWaalsContact CA-OE1 3.27Å; R304-Q308 HydrophobicContact CB-CB 4.08Å; T305-Q308 PolarHBondContact O-N 3.24Å; T305-Q308 WeakPolarHBondContact OG1-CG 3.24Å; T305-Q308 PolarHBondContact OG1-N 2.87Å; Q306-Q308 VanDerWaalsContact C-N 3.32Å; Q306-Q308 PolarHBondContact O-N 3.06Å; Q308-Y312 WeakPolarHBondContact O-CB 3.31Å; Q308-Y312 PolarHBondContact O-N 2.73Å
309L91.4Very high81.1Confident10 Ų1069.8 Ų69.85%0.05232%0.315CS..Hα-helixtrans-64.2-46.7175.2-67.6175.5000111.9E41 Y42 F277 R304 T305 Q306 R307 Y312 G313E41-L309 HydrophobicContact CB-CD1 4.1Å; Y42-L309 HydrophobicContact CD2-CD1 4.42Å; Y42-L309 HydrophobicContact CE2-CD1 3.82Å; F277-L309 HydrophobicContact CE2-CD1 3.94Å; F277-L309 HydrophobicContact CZ-CD1 4.06Å; R304-L309 HydrophobicContact CB-CD2 4.18Å; R304-L309 HydrophobicContact CB-CG 4.39Å; T305-L309 WeakPolarHBondContact O-CG 3.21Å; T305-L309 PolarHBondContact O-N 3.47Å; Q306-L309 WeakPolarHBondContact O-CB 3.4Å; Q306-L309 PolarHBondContact O-N 3.46Å; Q306-L309 VanDerWaalsContact O-N 3.11Å; R307-L309 VanDerWaalsContact C-N 3.31Å; R307-L309 PolarHBondContact O-N 2.86Å; L309-Y312 PolarHBondContact O-N 3.25Å; L309-G313 PolarHBondContact O-N 2.98Å; L309-G313 VanDerWaalsContact O-N 3.13Å
310L89.6Confident79.6Confident50 Ų5072 Ų7226%0.26233%0.334SS..Hα-helixtrans-64.9-42.2179.7-65.6175.8000111.5H88 Q306 R307 G313 R314H88-L310 HydrophobicContact CB-CD2 4.04Å; Q306-L310 HydrophobicContact CG-CD1 4.2Å; Q306-L310 HydrophobicContact CG-CG 4.4Å; Q306-L310 WeakPolarHBondContact O-CG 3.37Å; Q306-L310 PolarHBondContact O-N 3.43Å; R307-L310 PolarHBondContact O-N 3.25Å; L310-G313 PolarHBondContact O-N 2.9Å; L310-R314 PolarHBondContact O-N 2.98Å
311E88.2Confident78.5Confident80 Ų8072.5 Ų72.537%0.37434%0.343SS..Hα-helixtrans-69.2-41.7177-72.4178.3-169.500112.8R307 G313 R314 K315R307-E311 HydrophobicContact CG-CG 4.47Å; R307-E311 WeakPolarHBondContact CG-OE1 3.48Å; R307-E311 IonicContact CZ-OE1 3.3Å; R307-E311 IonicContact NE-OE1 3.22Å; R307-E311 PolarHBondContact NE-OE1 3.24Å; R307-E311 WeakPolarHBondContact O-CB 3.46Å; R307-E311 WeakPolarHBondContact O-CG 3.42Å; R307-E311 PolarHBondContact O-N 3.49Å; E311-G313 PolarHBondContact O-N 2.81Å; E311-R314 PolarHBondContact O-N 2.92Å; E311-K315 PolarHBondContact O-N 2.96Å
312Y76.4Confident77.2Confident89 Ų8978.2 Ų78.235%0.34938%0.38SS..Hα-helixtrans-60-36177.7-170.9-99.3000111.2Q308 L309 K315 R317 L318Q308-Y312 WeakPolarHBondContact O-CB 3.31Å; Q308-Y312 PolarHBondContact O-N 2.73Å; L309-Y312 PolarHBondContact O-N 3.25Å; Y312-K315 PolarHBondContact O-N 3Å; Y312-R317 HydrophobicContact CE1-CB 4.09Å; Y312-R317 HydrophobicContact CE2-CB 4.08Å; Y312-L318 HydrophobicContact CD1-CD1 3.97Å; Y312-L318 HydrophobicContact CD1-CD2 4.49Å; Y312-L318 HydrophobicContact CD1-CG 3.89Å; Y312-L318 HydrophobicContact CE1-CD1 4.34Å; Y312-L318 HydrophobicContact CE1-CD2 4.1Å; Y312-L318 HydrophobicContact CE1-CG 3.74Å
313G67.8Low76.7Confident3 Ų380.2 Ų80.23%0.03139%0.388CS..Hα-helixtrans-66.5-39177.200000114.8R90 L309 L310 E311 K315 G316R90-G313 VanDerWaalsContact CZ-C 3.5Å; R90-G313 VanDerWaalsContact NH2-C 3.34Å; R90-G313 PolarHBondContact NH2-O 2.87Å; L309-G313 PolarHBondContact O-N 2.98Å; L309-G313 VanDerWaalsContact O-N 3.13Å; L310-G313 PolarHBondContact O-N 2.9Å; E311-G313 PolarHBondContact O-N 2.81Å; G313-K315 PolarHBondContact O-N 3.13Å; G313-G316 PolarHBondContact O-N 3.07Å
314R68.1Low75.9Confident224 Ų22487.7 Ų87.785%0.84542%0.42SS*.Hα-helixtrans-64.3-27.4177.5-69.6-177.9-173.4-167.51.8112.9L310 E311 G316L310-R314 PolarHBondContact O-N 2.98Å; E311-R314 PolarHBondContact O-N 2.92Å; R314-G316 PolarHBondContact O-N 3.2Å
315K64.2Low75.3Confident145 Ų14586 Ų8663%0.6341%0.413SS*.THydrogen-bonded Turntrans-80.17.8-177.5-67178.2-179.4174.20114.3E311 Y312 G313 R317E311-K315 PolarHBondContact O-N 2.96Å; Y312-K315 PolarHBondContact O-N 3Å; G313-K315 PolarHBondContact O-N 3.13Å; K315-R317 HydrophobicContact CB-CG 4.28Å; K315-R317 WeakPolarHBondContact O-CG 3.33Å; K315-R317 PolarHBondContact O-N 3.14Å
316G56.8Low74.2Confident66 Ų6693.4 Ų93.468%0.6845%0.445SS*.THydrogen-bonded Turntrans63.914.2176.800000114.9G313 R314G313-G316 PolarHBondContact O-N 3.07Å; R314-G316 PolarHBondContact O-N 3.2Å
317R56.8Low72.5Confident178 Ų17897.8 Ų97.867%0.67247%0.466SS*.  trans-87.4-0.7-174.7-64.7-166.1-179-153.10.7114.4Y312 K315Y312-R317 HydrophobicContact CE1-CB 4.09Å; Y312-R317 HydrophobicContact CE2-CB 4.08Å; K315-R317 HydrophobicContact CB-CG 4.28Å; K315-R317 WeakPolarHBondContact O-CG 3.33Å; K315-R317 PolarHBondContact O-N 3.14Å
318L57.3Low70.3Confident38 Ų3899.5 Ų99.520%0.19947%0.473CS..  trans-93.3104169.5-80159.9000108A38 Y312 S320A38-L318 HydrophobicContact CB-CD2 3.63Å; Y312-L318 HydrophobicContact CD1-CD1 3.97Å; Y312-L318 HydrophobicContact CD1-CD2 4.49Å; Y312-L318 HydrophobicContact CD1-CG 3.89Å; Y312-L318 HydrophobicContact CE1-CD1 4.34Å; Y312-L318 HydrophobicContact CE1-CD2 4.1Å; Y312-L318 HydrophobicContact CE1-CG 3.74Å; L318-S320 PolarHBondContact O-N 3.2Å
319K56.3Low67.9Low197 Ų197102 Ų10286%0.85749%0.494SS*.  trans-7193.6157.4-68.7-174.3178.9-175.40105.7L321K319-L321 PolarHBondContact O-N 2.9Å; K319-L321 VanDerWaalsContact O-N 3.14Å
320S59.3Low65.5Low76 Ų76104.5 Ų104.553%0.53151%0.512SS..PPolyproline II helixtrans-60.4116.4169.7-176.10000106.5E91 L318E91-S320 VanDerWaalsContact OE2-CB 3.28Å; E91-S320 WeakPolarHBondContact OE2-CB 3.44Å; E91-S320 PolarHBondContact OE2-OG 3.41Å; L318-S320 PolarHBondContact O-N 3.2Å
321L67.5Low63.1Low100 Ų100110 Ų11052%0.52454%0.536SS..PPolyproline II helixtrans-80134.5171.2-75.8168.3000106.4N36 K319 F323N36-L321 WeakPolarHBondContact ND2-CD1 3.35Å; K319-L321 PolarHBondContact O-N 2.9Å; K319-L321 VanDerWaalsContact O-N 3.14Å; L321-F323 PolarHBondContact O-N 2.94Å; L321-F323 VanDerWaalsContact O-N 3.08Å
322P67.7Low60.4Low127 Ų127114.4 Ų114.483%0.82555%0.55SS**PPolyproline II helixtrans-54.4123.3177.321.3-30.4000108.6
323F81.2Confident58.3Low52 Ų52117 Ų11723%0.22857%0.566CS.*PPolyproline II helixtrans-89.5125.2173.9165.4-109.9000107.5E92 L93 Y96 L321 R325E92-F323 HydrophobicContact CB-CD1 4.25Å; E92-F323 HydrophobicContact CG-CD1 3.91Å; L93-F323 HydrophobicContact CB-CB 4.24Å; L93-F323 HydrophobicContact CB-CD2 3.9Å; L93-F323 HydrophobicContact CB-CE2 4.45Å; L93-F323 HydrophobicContact CB-CG 3.97Å; L93-F323 HydrophobicContact CD1-CD2 3.72Å; L93-F323 HydrophobicContact CD1-CE2 3.54Å; L93-F323 HydrophobicContact CD1-CZ 4.23Å; L93-F323 HydrophobicContact CG-CD2 4.32Å; Y96-F323 HydrophobicContact CD1-CE1 4.11Å; Y96-F323 HydrophobicContact CD1-CE2 4.16Å; Y96-F323 AromaticContact CD1-CZ 3.4Å; Y96-F323 HydrophobicContact CD1-CZ 3.4Å; Y96-F323 AromaticContact CE1-CZ 3.94Å; Y96-F323 HydrophobicContact CE1-CZ 3.94Å; Y96-F323 HydrophobicContact CG-CE1 4.12Å; Y96-F323 AromaticContact CG-CZ 3.87Å; Y96-F323 HydrophobicContact CG-CZ 3.87Å; L321-F323 PolarHBondContact O-N 2.94Å; L321-F323 VanDerWaalsContact O-N 3.08Å; F323-R325 HydrophobicContact CE1-CB 4.1Å; F323-R325 HydrophobicContact CZ-CB 4.03Å; F323-R325 HydrophobicContact CZ-CG 4.45Å
324E76.6Confident56.8Low171 Ų171126 Ų12680%0.79961%0.607SS**  trans-114.1121.8170.9-167.7173.4-175.700108.6K326E324-K326 PolarHBondContact O-N 2.86Å
325R82Confident55.2Low27 Ų27125.5 Ų125.510%0.10261%0.605CS.*  trans-69.4121179.8-174.4-178.5-71.1-155.6-3109.1Y96 S128 D174 F323 H327Y96-R325 VanDerWaalsContact CD2-NH2 3.28Å; Y96-R325 HydrophobicContact CE2-CG 4.4Å; S128-R325 VanDerWaalsContact C-NH1 3.28Å; S128-R325 PolarHBondContact O-NH1 3.25Å; S128-R325 PolarHBondContact OG-NH1 3.2Å; D174-R325 IonicContact OD1-CZ 3.93Å; D174-R325 IonicContact OD1-NH2 2.65Å; D174-R325 PolarHBondContact OD1-NH2 3.23Å; D174-R325 IonicContact OD2-CZ 3.24Å; D174-R325 IonicContact OD2-NH2 3.95Å; D174-R325 PolarHBondContact OD2-NH2 3Å; F323-R325 HydrophobicContact CE1-CB 4.1Å; F323-R325 HydrophobicContact CZ-CB 4.03Å; F323-R325 HydrophobicContact CZ-CG 4.45Å; R325-H327 PolarHBondContact O-CD2 2.84Å; R325-H327 PolarHBondContact O-N 2.82Å
326K70.6Confident53.8Low155 Ų155126.7 Ų126.767%0.67461%0.613SS**  trans-75.9104.7171.9-65.2-173.6179.8-178.40109.2E324 Y328E324-K326 PolarHBondContact O-N 2.86Å; K326-Y328 HydrophobicContact CB-CD2 4.08Å; K326-Y328 HydrophobicContact CB-CE2 3.62Å; K326-Y328 HydrophobicContact CD-CE2 4.05Å; K326-Y328 HydrophobicContact CG-CE2 4.49Å; K326-Y328 PolarHBondContact O-N 3.5Å; K326-Y328 VanDerWaalsContact O-N 3.16Å
327H60.1Low52.8Low115 Ų115129.5 Ų129.553%0.53262%0.621SS.*  trans-73.5103.6169.5-68.3-90.7000108.6E129 R325 P329E129-H327 PolarHBondContact O-ND1 2.76Å; R325-H327 PolarHBondContact O-CD2 2.84Å; R325-H327 PolarHBondContact O-N 2.82Å; H327-P329 WeakPolarHBondContact O-CD 3.44Å
328Y46.6Very low51.7Low137 Ų137131.1 Ų131.154%0.53763%0.627SS.*  trans-92.1112.1164.8-72-79.6000107.4K326 S330K326-Y328 HydrophobicContact CB-CD2 4.08Å; K326-Y328 HydrophobicContact CB-CE2 3.62Å; K326-Y328 HydrophobicContact CD-CE2 4.05Å; K326-Y328 HydrophobicContact CG-CE2 4.49Å; K326-Y328 PolarHBondContact O-N 3.5Å; K326-Y328 VanDerWaalsContact O-N 3.16Å; Y328-S330 PolarHBondContact O-N 2.83Å
329P42.3Very low50.5Low103 Ų103134.2 Ų134.267%0.66965%0.652SS**  trans-56.4135.4171.119.6-27.3000108.7H327 Q331H327-P329 WeakPolarHBondContact O-CD 3.44Å; P329-Q331 PolarHBondContact O-N 2.94Å
330S40.8Very low49.3Very low61 Ų61129.8 Ų129.843%0.42765%0.645SS.*SBendtrans-62.814.4-176.246.60000114.8H141 Y328 Y332H141-S330 PolarHBondContact ND1-OG 3.4Å; Y328-S330 PolarHBondContact O-N 2.83Å; S330-Y332 PolarHBondContact O-N 2.84Å
331Q37.8Very low48.4Very low165 Ų165131.6 Ų131.677%0.77166%0.656SS**  trans-78.357.9166.4-74.5-174.58.900111.4P329 H333P329-Q331 PolarHBondContact O-N 2.94Å; Q331-H333 VanDerWaalsContact C-N 3.33Å; Q331-H333 PolarHBondContact O-N 2.9Å; Q331-H333 VanDerWaalsContact O-N 3.14Å
332Y33.2Very low47.1Very low173 Ų173132.3 Ų132.368%0.67866%0.66SS**  trans-80.990.1159.6-91-85.4000108.2S330 E334S330-Y332 PolarHBondContact O-N 2.84Å; Y332-E334 PolarHBondContact O-N 2.99Å
333H30.3Very low45.9Very low144 Ų144132.4 Ų132.467%0.66765%0.653SS**  trans-59.8123.2157.1-96.5-37.7000108.2Q331 R335 Q336Q331-H333 VanDerWaalsContact C-N 3.33Å; Q331-H333 PolarHBondContact O-N 2.9Å; Q331-H333 VanDerWaalsContact O-N 3.14Å; H333-R335 PolarHBondContact O-N 2.82Å; H333-Q336 PolarHBondContact O-N 2.88Å
334E36.7Very low43.9Very low191 Ų191136.9 Ų136.989%0.89368%0.678SS**THydrogen-bonded Turntrans-54.70.4176.7-153.8164.6-166.600114.5Y332Y332-E334 PolarHBondContact O-N 2.99Å
335R35.3Very low42.4Very low214 Ų214132.1 Ų132.181%0.80866%0.664SS**THydrogen-bonded Turntrans-95.92.9-179.4-71.4-164-88.1-170.5-6.1115.7H333H333-R335 PolarHBondContact O-N 2.82Å
336Q34Very low40.5Very low170 Ų170135.2 Ų135.279%0.79468%0.683SS**  trans-10817.2176.8-125.6165.96.200115.1H333 R338H333-Q336 PolarHBondContact O-N 2.88Å; Q336-R338 PolarHBondContact O-N 2.8Å
337C35.4Very low39.3Very low126 Ų126131.7 Ų131.785%0.85167%0.674SS**  trans-83.651.3157.1-750000111
338R34Very low38.5Very low211 Ų211130 Ų13080%0.79668%0.675SS**SBendtrans-134.5110.7165.1-82.5-85.4179.3176.1-2.4106.5Q336Q336-R338 PolarHBondContact O-N 2.8Å
339S32Very low38.4Very low103 Ų103130.4 Ų130.472%0.7268%0.68SS**  trans56.9109159.544.20000117.4
340S31.9Very low38.3Very low104 Ų104131.8 Ų131.873%0.72768%0.677SS**SBendtrans-48.5149.1137.9-54.20000109.1D342S340-D342 PolarHBondContact O-N 2.8Å
341P40Very low38.8Very low115 Ų115132.2 Ų132.275%0.74768%0.677SS**SBendtrans-55.3137.4-177.3-1527.1000110L343P341-L343 PolarHBondContact O-N 3.32Å
342D40.2Very low39.3Very low115 Ų115129 Ų12962%0.61566%0.662SS**  trans-50.996.8-177.8-91-41000112.4S340 L344 S345S340-D342 PolarHBondContact O-N 2.8Å; D342-L344 PolarHBondContact O-N 3.06Å; D342-S345 PolarHBondContact O-N 2.88Å; D342-S345 VanDerWaalsContact O-N 3.07Å; D342-S345 PolarHBondContact O-OG 2.83Å
343L42.7Very low39.8Very low128 Ų128125.9 Ų125.967%0.6766%0.657SS**Hα-helixtrans-61.3-9.3170.7-76.1171000113.2P341 S345 V347P341-L343 PolarHBondContact O-N 3.32Å; L343-S345 VanDerWaalsContact C-N 3.34Å; L343-V347 VanDerWaalsContact O-CG2 3.27Å; L343-V347 WeakPolarHBondContact O-CG2 3.26Å; L343-V347 PolarHBondContact O-N 2.9Å
344L40.4Very low40.6Very low147 Ų147124.6 Ų124.677%0.7765%0.654SS**Hα-helixtrans-77.8-20.5174.5-66.9175.6000112.6D342D342-L344 PolarHBondContact O-N 3.06Å
345S44.8Very low40.9Very low71 Ų71123.9 Ų123.950%0.49764%0.643SS.*Hα-helixtrans-84.1-35.2176.869.50000113D342 L343 K349D342-S345 PolarHBondContact O-N 2.88Å; D342-S345 VanDerWaalsContact O-N 3.07Å; D342-S345 PolarHBondContact O-OG 2.83Å; L343-S345 VanDerWaalsContact C-N 3.34Å; S345-K349 PolarHBondContact O-N 3.39Å
346D41.1Very low41.4Very low92 Ų92120.6 Ų120.649%0.49264%0.641SS.*Hα-helixtrans-79.3-31.8-178.9-78.7-26.3000113.4S348 K349 Q350D346-S348 VanDerWaalsContact C-N 3.31Å; D346-K349 PolarHBondContact O-N 3.2Å; D346-Q350 PolarHBondContact O-N 2.8Å
347V44.7Very low41.9Very low81 Ų81115.7 Ų115.749%0.49163%0.63SS.*Hα-helixtrans-69.4-33173.3176.10000111L343 K349 Q350 V351L343-V347 VanDerWaalsContact O-CG2 3.27Å; L343-V347 WeakPolarHBondContact O-CG2 3.26Å; L343-V347 PolarHBondContact O-N 2.9Å; V347-K349 VanDerWaalsContact C-N 3.33Å; V347-K349 PolarHBondContact O-N 2.82Å; V347-Q350 PolarHBondContact O-N 2.79Å; V347-V351 HydrophobicContact CG1-CG2 4.4Å; V347-V351 WeakPolarHBondContact O-CG2 3.27Å; V347-V351 PolarHBondContact O-N 3.46Å; V347-V351 VanDerWaalsContact O-N 3.09Å
348S43.3Very low42.4Very low80 Ų80119.6 Ų119.656%0.55963%0.628SS**Hα-helixtrans-69.6-30.2176.1-164.70000112.6D346D346-S348 VanDerWaalsContact C-N 3.31Å
349K45.3Very low42.4Very low145 Ų145113 Ų11363%0.6363%0.626SS**Hα-helixtrans-75.3-41.6173.4-83.4-175.6173.6-1780112.2S345 D346 V347 V351 E352 D353S345-K349 PolarHBondContact O-N 3.39Å; D346-K349 PolarHBondContact O-N 3.2Å; V347-K349 VanDerWaalsContact C-N 3.33Å; V347-K349 PolarHBondContact O-N 2.82Å; K349-V351 VanDerWaalsContact C-N 3.34Å; K349-V351 PolarHBondContact O-N 3.14Å; K349-E352 PolarHBondContact O-N 3.14Å; K349-D353 PolarHBondContact O-N 3.13Å
350Q41.3Very low42.3Very low132 Ų132112 Ų11262%0.61763%0.632SS**Hα-helixtrans-67.5-31.4179.2-76.9-175.7-15.500113.6D346 V347 L354D346-Q350 PolarHBondContact O-N 2.8Å; V347-Q350 PolarHBondContact O-N 2.79Å; Q350-L354 WeakPolarHBondContact O-CB 3.34Å; Q350-L354 PolarHBondContact O-N 3.37Å
351V49.6Very low42.2Very low69 Ų69110.3 Ų110.342%0.41863%0.631SS.*Hα-helixtrans-71-33.1175.7167.50000111.9V347 K349 R355V347-V351 HydrophobicContact CG1-CG2 4.4Å; V347-V351 WeakPolarHBondContact O-CG2 3.27Å; V347-V351 PolarHBondContact O-N 3.46Å; V347-V351 VanDerWaalsContact O-N 3.09Å; K349-V351 VanDerWaalsContact C-N 3.34Å; K349-V351 PolarHBondContact O-N 3.14Å; V351-R355 PolarHBondContact O-N 3.28Å
352E48.5Very low41.8Very low99 Ų99114.3 Ų114.346%0.46363%0.632SS.*Hα-helixtrans-82.1-32.4-179.4-12964.3148.700112.9K349 L354 R355 L356K349-E352 PolarHBondContact O-N 3.14Å; E352-L354 VanDerWaalsContact C-N 3.33Å; E352-L354 PolarHBondContact O-N 3.31Å; E352-R355 PolarHBondContact O-N 3.35Å; E352-R355 IonicContact OE2-NH1 2.81Å; E352-R355 PolarHBondContact OE2-NH1 2.87Å; E352-L356 PolarHBondContact O-N 2.89Å; E352-L356 VanDerWaalsContact O-N 3.16Å
353D45Very low41.3Very low107 Ų107117.9 Ų117.957%0.57264%0.639SS**Hα-helixtrans-68.1-32.1170.9-69.2-21.8000111.9K349 L356 A357K349-D353 PolarHBondContact O-N 3.13Å; D353-L356 PolarHBondContact O-N 3.47Å; D353-A357 WeakPolarHBondContact O-CB 3.43Å; D353-A357 PolarHBondContact O-N 2.7Å
354L46Very low40.7Very low117 Ų117120.2 Ų120.261%0.61365%0.646SS**Hα-helixtrans-72.8-27.9173-94.1156.7000113.4Q350 E352Q350-L354 WeakPolarHBondContact O-CB 3.34Å; Q350-L354 PolarHBondContact O-N 3.37Å; E352-L354 VanDerWaalsContact C-N 3.33Å; E352-L354 PolarHBondContact O-N 3.31Å
355R44.1Very low40.1Very low175 Ų175120.7 Ų120.766%0.6665%0.649SS**Hα-helixtrans-73.7-32.4172.9-88.7-170.3167.5113.8-1.6112.9V351 E352V351-R355 PolarHBondContact O-N 3.28Å; E352-R355 PolarHBondContact O-N 3.35Å; E352-R355 IonicContact OE2-NH1 2.81Å; E352-R355 PolarHBondContact OE2-NH1 2.87Å
356L45.9Very low39.4Very low145 Ų145123.7 Ų123.776%0.75966%0.664SS**Hα-helixtrans-79.6-23.9178.1-75.5163.7000113.1E352 D353E352-L356 PolarHBondContact O-N 2.89Å; E352-L356 VanDerWaalsContact O-N 3.16Å; D353-L356 PolarHBondContact O-N 3.47Å
357A44.7Very low38.9Very low67 Ų67126.9 Ų126.955%0.55468%0.681SS**Hα-helixtrans-83.3-19-176.700000115.4D353D353-A357 WeakPolarHBondContact O-CB 3.43Å; D353-A357 PolarHBondContact O-N 2.7Å
358Y44.1Very low38.1Very low209 Ų209126.3 Ų126.382%0.8269%0.692SS**SBendtrans-133.114.5-173.4-79.9-80.6000115.7
359G34.9Very low37.4Very low72 Ų72129 Ų12974%0.74271%0.705SS**  trans-105.976.7179.800000113.7
360G30.7Very low36.6Very low83 Ų83130.6 Ų130.686%0.85671%0.714SS**  trans-155.9105.4171.100000113.4
361G29.4Very low36Very low68 Ų68128.4 Ų128.470%0.70172%0.718SS**  trans143.179.4158.900000119
362Y31Very low35.1Very low198 Ų198130.4 Ų130.478%0.77674%0.735SS**  66.2131.7126.4-81.3-71.2000126
363Y29.3Very low34.3Very low191 Ų191133.5 Ų133.575%0.74975%0.75SS**  trans68.2141.5157-55.2-65.5000117.9
364Q30.3Very low34Very low177 Ų177134.4 Ų134.483%0.82776%0.762SS**  cis-163.8149.910.3-143.5164.5-2.900108.6
365N28.9Very low33.2Very low156 Ų156134 Ų13483%0.83476%0.764SS**  trans-52.9144.3167.4-81.7-39000113
366V28.9Very low32.6Very low134 Ų134134 Ų13481%0.81278%0.776SS**  -158.5126.6120.9-174.20000110.9
367N30.5Very low31.8Very low160 Ų160134.1 Ų134.186%0.85678%0.777SS**  trans-0.9145.4155.8-58.7-28.2000121.9
368G28.4Very low30.9Very low69 Ų69136.1 Ų136.171%0.71179%0.787SS**  trans14891.7131.800000119.6
369V29.3Very low30.2Very low136 Ų136137.3 Ų137.382%0.82479%0.79SS**  trans64.2120.3134-171.70000121.4
370H28.7Very low30Very low179 Ų179144.6 Ų144.683%0.82980%0.795SS**  trans-1.8136.3147.3-59.4-81.4000119.6
371A28.9Very low29.9Very low86 Ų86152.1 Ų152.171%0.71180%0.798SS**  161.2135.188.700000113.2
372S30Very low29.8Very low111 Ų111156.2 Ų156.278%0.77680%0.804SS**  trans59.4118.8141.654.50000122
373E32.1Very low29.7Very low163 Ų163152.2 Ų152.276%0.76281%0.805SS**  trans-49.9165.6147.1-66.7-173.8140.400112.5
374P37.5Very low29.4Very low127 Ų127147.9 Ų147.983%0.82581%0.808SS**  -138.7145.6106.134.6-21.2000115.4
375V30.4Very low29.2Very low108 Ų108145.8 Ų145.866%0.65581%0.808SS**  trans-66.8134.8160.7171.20000110.3
376L31.3Very low29Very low174 Ų174146.6 Ų146.691%0.91181%0.806SS**  trans-142.3124.3151.2-82.8-179.1000111.5
377D28.4Very low28.9Very low148 Ų148146.9 Ų146.979%0.79181%0.808SS**  trans-93.3131169.4-177.915.4000108.9
378S27.2Very low28.5Very low110 Ų110144.3 Ų144.377%0.76980%0.798SS**  trans-164.1104.3156.569.50000113.7
379R29Very low28.3Very low233 Ų233150.7 Ų150.788%0.87981%0.807SS**  26.7109.4126.1-163.5179.8-86.7-140.60.8119.5
380R29.6Very low28.2Very low225 Ų225148.6 Ų148.685%0.84980%0.804SS**  39.6116.9128.2-152.7-173.2-149.6-125.85.7119.2
381R30.1Very low28.1Very low241 Ų241146.4 Ų146.491%0.90980%0.803SS**  trans-170.8154.5130.4-106.5-178.1-67.9167.70.4112.6
382N26.8Very low28Very low154 Ų154152 Ų15282%0.82482%0.815SS**  trans-75152.4-175.1-48.2-45.8000112.4
383S28.6Very low27.8Very low115 Ų115153 Ų15380%0.80481%0.811SS**  trans-155.3129.2143.7610000110.9
384A23.3Very low27.6Very low99 Ų99154.8 Ų154.882%0.81882%0.819SS**  trans-70.8147.7168.300000110.5
385V26.4Very low27Very low134 Ų134156.2 Ų156.281%0.81281%0.814SS**  trans-138.3125.2158.4172.20000107.2
386E23.8Very low26.8Very low173 Ų173156.2 Ų156.281%0.80882%0.819SS**  trans-64.6142.8174.1-67.7170.5134.300111.4
387V25.9Very low26.7Very low140 Ų140157.7 Ų157.785%0.84882%0.818SS**  trans-138.9112.8152.3-179.70000107.4
388T22.4Very low27.1Very low106 Ų106155 Ų15565%0.6581%0.809SS**  trans-88.7-179.8171-21.90000109.8
389F24.3Very low27.1Very low202 Ų202157.8 Ų157.889%0.88681%0.81SS**  trans93.4130.6-176.5-49.9-64.6000113.4
390A27Very low27Very low92 Ų92153 Ų15376%0.7681%0.807SS**  cis-155.8151.7-8.600000107.6
391T26.3Very low26.9Very low133 Ų133149.6 Ų149.682%0.81681%0.805SS**  trans-68.3133.7170.942.40000111.5
392E27.7Very low27.8Very low204 Ų204143.2 Ų143.295%0.95380%0.795SS**  trans-127.5123.3141.2-84.6-172.8164.800108.9
393L26Very low27.8Very low132 Ų132143.2 Ų143.269%0.69180%0.801SS**  trans-106.3120.1178.3172.484.5000104.3
394E28.2Very low27.6Very low200 Ų200144.8 Ų144.894%0.93580%0.799SS**  trans-122.4126.6154.1-82.2-161.7149.100110.4
395H24.5Very low27.7Very low157 Ų157147 Ų14773%0.72780%0.796SS**  trans-81145.3176.6-79.4-33.4000111.3
396S25.5Very low27.8Very low109 Ų109148.4 Ų148.476%0.76279%0.794SS**  166.6104.9119.156.40000108.9
397K29.6Very low27.9Very low205 Ų205148.5 Ų148.589%0.89179%0.794SS**  88.6155.486.5-108.4-148.6165.9-1780113.1
398P38Very low27.9Very low92 Ų92147 Ų14760%0.59779%0.79SS**  trans-128.1-154.6-131.130.2-3.2000111.6
399E26.3Very low28.1Very low168 Ų168151 Ų15179%0.78580%0.802SS**  trans87.4135.2167.4-61.5177.2149.700114.5
400T27Very low28.2Very low133 Ų133146.9 Ų146.982%0.81680%0.798SS**  cis-168.3145.715.22.50000109.7
401D26.9Very low28.2Very low153 Ų153147.9 Ų147.982%0.81880%0.799SS**  trans-67.5-172158.9-86.5-35.4000111.6
402P48.6Very low28.3Very low107 Ų107146.7 Ų146.770%0.69580%0.796SS**  cis-132169.7-34.830-11.2000111.9
403T27Very low28.3Very low153 Ų153141.3 Ų141.394%0.93978%0.781SS**  trans-154.5151151.4-16.70000113.5
404L25.4Very low28.3Very low149 Ų149144.9 Ų144.978%0.7879%0.791SS**  trans-111.9158.1-154.2-104159.6000111.7
405L25.5Very low28.5Very low144 Ų144140.9 Ų140.975%0.75478%0.783SS**  trans82.1136.4161.7-56157000116
406H26.9Very low28.6Very low165 Ų165143.6 Ų143.676%0.76479%0.793SS**  cis-152.3155.639.9-107.3-85.5000113.7
407Q26.9Very low28.7Very low174 Ų174145.4 Ų145.481%0.81379%0.792SS**  trans-53.5146.8165.4-75.1163.7-43.300113.5
408S26.3Very low28.7Very low109 Ų109144.2 Ų144.276%0.76278%0.784SS**  -172.7121126.7-82.30000114.2
409Q26.5Very low28.2Very low190 Ų190146 Ų14689%0.88879%0.793SS**  trans57.6112.4133.7-56.4-168.4-3.100121.7
410S26.5Very low28.3Very low115 Ų115143.3 Ų143.380%0.80478%0.784SS**  trans-64.5145.6156.6-53.90000113.4
411S27.3Very low28.7Very low113 Ų113142.5 Ų142.579%0.7978%0.781SS**  trans-173.5119.2137.4-77.50000108
412S27.8Very low28.9Very low108 Ų108141 Ų14176%0.75578%0.777SS**  60.1137.388.5152.20000112.1
413S27.8Very low28Very low91 Ų91145.6 Ų145.664%0.63679%0.787SS**  cis-179.1150.9-1.845.30000104.5
414F26.8Very low28.1Very low207 Ų207145.8 Ų145.891%0.90878%0.782SS**  trans-140133.2164.9-74.5-74.2000110.3
415P30.9Very low28.5Very low116 Ų116145.4 Ų145.475%0.75379%0.786SS**PPolyproline II helixtrans-87.7141.6-177.234.5-31.1000111.2
416F27.3Very low28.9Very low214 Ų214147.1 Ų147.194%0.93979%0.79SS**PPolyproline II helixtrans-94.7123166.2-97.7-87.3000109.8
417I27.8Very low29.7Very low147 Ų147144.9 Ų144.975%0.75479%0.79SS**PPolyproline II helixtrans-78.4132.6176-69.2-170.9000109.8
418Y28.3Very low30.1Very low181 Ų181144.3 Ų144.371%0.7179%0.793SS**PPolyproline II helixtrans-80.3132.6171.7-172.1-94.3000109.6D420Y418-D420 HydrophobicContact CE1-CB 4.23Å; Y418-D420 VanDerWaalsContact CE1-OD1 3.24Å; Y418-D420 WeakPolarHBondContact CE1-OD1 3.3Å; Y418-D420 WeakPolarHBondContact CE1-OD2 3.36Å; Y418-D420 PolarHBondContact OH-OD1 3.45Å
419T29.3Very low31.2Very low128 Ų128144.1 Ų144.179%0.78579%0.789SS**  trans-130.2109.7168.860000109
420D26.8Very low31.7Very low112 Ų112142.7 Ų142.760%0.59979%0.787SS**PPolyproline II helixtrans-73.4141.2165.1-91.5-25.7000109.8Y418Y418-D420 HydrophobicContact CE1-CB 4.23Å; Y418-D420 VanDerWaalsContact CE1-OD1 3.24Å; Y418-D420 WeakPolarHBondContact CE1-OD1 3.3Å; Y418-D420 WeakPolarHBondContact CE1-OD2 3.36Å; Y418-D420 PolarHBondContact OH-OD1 3.45Å
421P36.6Very low32.7Very low116 Ų116142.4 Ų142.475%0.75378%0.783SS**PPolyproline II helixtrans-98.3120.1161.129.1-18.8000111.2
422V30.8Very low33Very low123 Ų123144.5 Ų144.575%0.74579%0.785SS**PPolyproline II helixtrans-73.2136.4167.6172.70000109.5N424V422-N424 PolarHBondContact O-N 3.25Å
423F30.4Very low33.9Very low203 Ų203143.8 Ų143.889%0.8978%0.778SS**PPolyproline II helixtrans-68.4121.3171.7-78.5-92.6000110.4
424N29.3Very low34Very low157 Ų157149.9 Ų149.984%0.8479%0.787SS**PPolyproline II helixtrans-97.4127.4167.8-75.8-32.7000109.9V422V422-N424 PolarHBondContact O-N 3.25Å
425T32.6Very low34.2Very low141 Ų141145.4 Ų145.487%0.86577%0.772SS**PPolyproline II helixtrans-85132171.3-53.50000108.9
426E33.6Very low34.1Very low180 Ų180147.5 Ų147.584%0.84177%0.77SS**PPolyproline II helixtrans-79.5156.3173-79.1-139.7154.300113.1
427P44.5Very low34.3Very low118 Ų118145.5 Ų145.577%0.76676%0.761SS**PPolyproline II helixtrans-96.7156.3-178.537.8-31000114.1
428D34.3Very low34.2Very low162 Ų162142.9 Ų142.987%0.86676%0.756SS**PPolyproline II helixtrans-85.1152.6179.2-142.3-2.3000112.1
429P50.1Low34.1Very low104 Ų104142.6 Ų142.668%0.67576%0.761SS**  trans-109.7135-17735.1-23.2000116.7
430N36Very low34.1Very low160 Ų160148 Ų14886%0.85677%0.767SS**  trans71.8159.8146.8-85-13000122.2
431P49.4Very low34.1Very low109 Ų109147.9 Ų147.971%0.70878%0.775SS**  cis-140.1154.4-21.636.2-16.3000117.4
432D33.5Very low34.5Very low157 Ų157147.5 Ų147.584%0.8477%0.773SS**  trans57.5169.4142.4-111.412000123.4
433P45.4Very low34.3Very low93 Ų93149.2 Ų149.260%0.60478%0.777SS**  -130.9163.3-59.629.5-9.9000113.1
434R31.4Very low34.2Very low220 Ų220144.7 Ų144.783%0.8377%0.77SS**  trans149.6137.5135.2-84.2-154.1-96.9-164.9-3.7115.9
435D29Very low34.1Very low112 Ų112141.5 Ų141.560%0.59976%0.76SS**  trans81.5102.7139.5-65.9-8.8000121.7
436F30.1Very low33.9Very low161 Ų161143.8 Ų143.871%0.70676%0.758SS**  84.7128.5116.5-84.1-66.1000122.9
437F30.7Very low33.6Very low171 Ų171143.6 Ų143.675%0.7576%0.758SS**  trans77.5105.3146.6-76.2-67.2000121.8
438S26.9Very low32.8Very low93 Ų93144.1 Ų144.165%0.6576%0.759SS**  66.1118121.1-730000123.2
439E25.6Very low32.4Very low175 Ų175141.1 Ų141.182%0.81875%0.751SS**  72.9105.8114.7-155177.3-146.700119.6
440R28.6Very low31.5Very low241 Ų241140.7 Ų140.791%0.90975%0.749SS**  172.6117.8125.1-101.9175.1-1761722.4113.1
441S27.3Very low31.3Very low109 Ų109141.4 Ų141.476%0.76274%0.744SS**  trans-85.1180143.7-43.10000107.9
442P45Very low30.3Very low108 Ų108145.1 Ų145.170%0.70175%0.75SS**  cis-144.6-176.46.427.5-0.4000115.4
443L26.8Very low30.2Very low160 Ų160141.7 Ų141.784%0.83874%0.743SS**  trans132.3145.3132.3-70.5173.9000117
444S27.3Very low29.4Very low108 Ų108140.3 Ų140.376%0.75575%0.746SS**  trans89.2133.7153.2-158.80000115.8
445S27.4Very low29.6Very low89 Ų89136 Ų13662%0.62274%0.74SS**  cis-171.5150.68.321.90000111.7
446F28.9Very low29.9Very low189 Ų189138.5 Ų138.583%0.82975%0.747SS**  trans38.1102.3139.2-57.6-72.4000122.9
447Q27.6Very low30.3Very low176 Ų176139 Ų13982%0.82275%0.754SS**  35.5133.4109.1-132.3175.321.500121.9
448T27.2Very low30.5Very low130 Ų130134.6 Ų134.680%0.79875%0.745SS**  -168.1112.5123.723.20000108.8
449S27.5Very low30.8Very low99 Ų99135.8 Ų135.869%0.69275%0.748SS**  74.4133.4104.499.80000113.2
450C29.3Very low31.1Very low95 Ų95132.1 Ų132.164%0.64274%0.742SS**  cis-170141.237.4-109.40000111.4
451K32.3Very low31.3Very low174 Ų174126.2 Ų126.276%0.75774%0.737SS**  trans72.6139.4137.6-61.3173.7-177.7-178.90118.4
452F28.5Very low31.5Very low187 Ų187124.3 Ų124.382%0.8274%0.735SS**  cis-152.5155.631.3-130-80.3000112.4
453A30.8Very low31.1Very low85 Ų85127 Ų12770%0.70274%0.742SS**  trans-41.6149.9177.800000116.3
454G29.8Very low31.4Very low64 Ų64124.8 Ų124.866%0.6674%0.736SS**  115.6144.658.200000105.7
455N36Very low31.7Very low131 Ų131124.9 Ų124.970%0.70174%0.737SS**  cis-161.6175.917-70.3-40.2000103.7
456H35.5Very low32Very low164 Ų164129.4 Ų129.476%0.75975%0.745SS**  cis-168.9145.743.1-66.4-91.1000109.6
457M36.5Very low32.1Very low170 Ų170126.7 Ų126.784%0.83774%0.744SS**  trans56.6105139.8-80.5-121.7125.400120
458S35Very low32.2Very low80 Ų80123.3 Ų123.356%0.55974%0.739SS**  81.8144.98264.40000111.9
459T33.9Very low33.4Very low118 Ų118122.8 Ų122.872%0.72474%0.738SS**  cis-17212621-30000103.8
460S31.1Very low33.7Very low98 Ų98122.4 Ų122.469%0.68574%0.741SS**  83.9151101.994.20000117.6
461S32.7Very low33.8Very low117 Ų117127 Ų12782%0.81875%0.75SS**  trans84.4124.8158.8-46.70000115.4
462G32.8Very low33.6Very low69 Ų69125.6 Ų125.671%0.71175%0.746SS**  cis152.3131.1500000109.2
463L36.4Very low33.6Very low164 Ų164123.4 Ų123.486%0.85974%0.742SS**  trans61124.5139.7-124.674.8000118.3
464T33.2Very low33.5Very low114 Ų114125.2 Ų125.270%0.69974%0.744SS**  173.4154.163.735.50000110.3
465S32.6Very low33.4Very low110 Ų110130.7 Ų130.777%0.76975%0.746SS**  trans70136.9132.9171.60000119.4
466K33.5Very low33.1Very low183 Ų183131.7 Ų131.780%0.79675%0.749SS**  cis178.9158.5-6.9-123.1-176.6179-1790106.6
467V30.9Very low32.7Very low133 Ų133128.9 Ų128.981%0.80674%0.74SS**  trans87.1119.1143.8176.20000120.4
468S30.9Very low32.4Very low105 Ų105127.2 Ų127.273%0.73474%0.738SS**  trans-68.5-164.5169.9-32.80000113.7
469P52Low32.5Very low119 Ų119128.7 Ų128.777%0.77375%0.746SS**  cis-145.8172.9-3.837.3-14.9000118.4
470A33.1Very low32.2Very low90 Ų90133 Ų13374%0.74475%0.751SS**  trans80135.4133.900000126.2
471K31.8Very low32.3Very low192 Ų192134.9 Ų134.984%0.83575%0.752SS**  trans81145.9153.1-74.1177.5-180-177.80118.3
472Q27.6Very low32.4Very low145 Ų145134 Ų13468%0.67874%0.743SS**  cis179.8164.1-11.1-167.6176.8-23.800106.4
473L28.6Very low32.2Very low141 Ų141137 Ų13774%0.73875%0.752SS**  trans80.2149.4162.6-56.4168.2000117.1
474T28.9Very low32Very low122 Ų122136.2 Ų136.275%0.74875%0.754SS**  cis-171.1156.4-18.919.40000107.5
475Y28.1Very low32Very low179 Ų179134.7 Ų134.770%0.70276%0.761SS**  trans-11.4142.6158.3-153.6-102.5000120.6
476M30.1Very low31.9Very low153 Ų153138.9 Ų138.975%0.75477%0.768SS**  175.5156.1129-86.5-102.378.300113.3
477D27.7Very low31.8Very low105 Ų105139.1 Ų139.156%0.56177%0.772SS**  trans-75.3-171.4-163.1-68-60.1000118
478V29.4Very low31.9Very low134 Ų134139.3 Ų139.381%0.81277%0.773SS**  trans121.7140.6139.7-171.10000113.8
479P37.6Very low32.2Very low111 Ų111137.8 Ų137.872%0.72177%0.774SS**  -138.7-178.8-61.143.6-23.2000113.4
480Y27.5Very low31.4Very low209 Ų209140 Ų14082%0.8278%0.778SS**  trans-90.2139.4172.4179.3-96.3000111.8P482Y480-P482 HydrophobicContact CE1-CB 4.46Å
481I33.6Very low31.4Very low138 Ų138142.5 Ų142.571%0.70878%0.776SS**  trans-114.2126.6175.8-61.8175.9000109.9
482P33.9Very low31.7Very low97 Ų97138.4 Ų138.463%0.6377%0.769SS**PPolyproline II helixtrans-95.4136170.634.6-26.9000111.4Y480Y480-P482 HydrophobicContact CE1-CB 4.46Å
483C28.1Very low32Very low133 Ų133137 Ų13790%0.89977%0.772SS**PPolyproline II helixtrans-90.6117.7172.1-75.60000111.1
484T33.3Very low32.1Very low148 Ų148137 Ų13791%0.90877%0.768SS**PPolyproline II helixtrans-87.6140.1163.716.90000109.6
485G32.3Very low32Very low82 Ų82136.4 Ų136.485%0.84577%0.765SS**  trans-148.7100.8169.100000109.2
486Q32.2Very low32Very low197 Ų197135.7 Ų135.792%0.92177%0.765SS**  trans-101.6122.9178.2-172.8171.53.800108.6
487Q31.2Very low31.9Very low188 Ų188137 Ų13788%0.87977%0.767SS**  trans-145.4104.9160.7-137.4175.69.500111.4
488V32.2Very low32Very low137 Ų137142.6 Ų142.683%0.8378%0.782SS**  trans35.1121.4143.1-164.70000119.2
489G37.2Very low32.1Very low73 Ų73142.2 Ų142.275%0.75378%0.78SS**  trans-76.4143.9-177.400000115.9
490I36.1Very low31.8Very low166 Ų166144.4 Ų144.485%0.85179%0.785SS**  trans-128.9112.4152.6-62.3178.1000105.1P492I490-P492 WeakPolarHBondContact O-CD 3.18Å
491M32.1Very low32Very low143 Ų143143 Ų14370%0.70478%0.784SS**PPolyproline II helixtrans-81122.9-177.3-150.2-164.799.700109.6Q494M491-Q494 HydrophobicContact CE-CG 4.41Å
492P37.8Very low32.1Very low105 Ų105142.4 Ų142.468%0.68279%0.788SS**PPolyproline II helixtrans-81.2148.4163.630.3-28.5000110.2I490 Q494I490-P492 WeakPolarHBondContact O-CD 3.18Å; P492-Q494 PolarHBondContact O-N 2.77Å
493P33.9Very low31.7Very low115 Ų115145.8 Ų145.875%0.74780%0.801SS**PPolyproline II helixtrans-69.3130.8-165.627.1-33.5000112.3V495P493-V495 PolarHBondContact O-N 2.76Å
494Q30.3Very low31.9Very low141 Ų141148.6 Ų148.666%0.65980%0.801SS**  trans-72.4114.9167.8-71.8176.9-3.300109M491 P492 F496M491-Q494 HydrophobicContact CE-CG 4.41Å; P492-Q494 PolarHBondContact O-N 2.77Å; Q494-F496 HydrophobicContact CB-CE2 4.18Å; Q494-F496 PolarHBondContact O-N 3.17Å
495V27.9Very low31.8Very low111 Ų111147.8 Ų147.867%0.67380%0.795SS**  trans-85.6105.1167.81780000107.4P493 F497P493-V495 PolarHBondContact O-N 2.76Å; V495-F497 HydrophobicContact CG1-CD2 4.31Å; V495-F497 HydrophobicContact CG1-CE2 3.85Å; V495-F497 HydrophobicContact CG1-CZ 4.19Å
496F28.8Very low31.7Very low164 Ų164149.7 Ų149.772%0.71979%0.792SS**PPolyproline II helixtrans-73.7121.7171-76.2-89.8000109.6Q494Q494-F496 HydrophobicContact CB-CE2 4.18Å; Q494-F496 PolarHBondContact O-N 3.17Å
497F28.2Very low31.6Very low181 Ų181152 Ų15279%0.79479%0.793SS**PPolyproline II helixtrans-93.5125.6161.9-75.3-82.8000108.9V495 V499V495-F497 HydrophobicContact CG1-CD2 4.31Å; V495-F497 HydrophobicContact CG1-CE2 3.85Å; V495-F497 HydrophobicContact CG1-CZ 4.19Å; F497-V499 PolarHBondContact O-N 3.4Å
498Y29.6Very low31.4Very low221 Ų221154.7 Ų154.787%0.86780%0.795SS**PPolyproline II helixtrans-55.1128.6178.9-83.8-101.4000111.7
499V31.7Very low31.3Very low126 Ų126153.5 Ų153.576%0.76479%0.792SS**  trans-107106.1164.3175.70000106.6F497 K501F497-V499 PolarHBondContact O-N 3.4Å; V499-K501 PolarHBondContact O-N 2.91Å; V499-K501 VanDerWaalsContact O-N 3.14Å
500D30.6Very low31.3Very low158 Ų158156 Ų15685%0.84580%0.795SS**  trans-72.7102.5169-86.4-30000109.3
501K32Very low31Very low179 Ų179155.8 Ų155.878%0.77879%0.794SS**  trans-109.6127.2163.2-124178.9-1771770106.7V499 L503V499-K501 PolarHBondContact O-N 2.91Å; V499-K501 VanDerWaalsContact O-N 3.14Å; K501-L503 PolarHBondContact O-N 2.94Å
502P34Very low30.7Very low125 Ų125160.2 Ų160.281%0.81280%0.803SS**PPolyproline II helixtrans-68.4131.517925.8-30.6000110.8
503L26.5Very low30.3Very low169 Ų169159 Ų15989%0.88580%0.802SS**PPolyproline II helixtrans-65.7124.5179.2-74157000111.2K501K501-L503 PolarHBondContact O-N 2.94Å
504Q31.7Very low30Very low192 Ų192162.2 Ų162.290%0.89781%0.807SS**PPolyproline II helixtrans-84.6125.9164.9-70.3-14524.300110.1
505V31.8Very low29.9Very low130 Ų130162.6 Ų162.679%0.78881%0.809SS**PPolyproline II helixtrans-83.6137.7174.7178.20000109.1
506P30.5Very low30Very low122 Ų122167 Ų16779%0.79281%0.813SS**PPolyproline II helixtrans-80.4129.1-176.631.3-31.6000110.7
507R28.8Very low30Very low247 Ų247165.5 Ų165.593%0.93282%0.817SS**  trans-122.3114.8167.7-137.3177.8-175.9176.20.9110.5
508R28.8Very low30.1Very low244 Ų244168 Ų16892%0.92182%0.822SS**  trans-56141.1172.7-73.1177.7171.2175.2-3.4111.1
509S28.8Very low31Very low111 Ų111162.1 Ų162.178%0.77681%0.81SS**  trans-70.6158.516438.10000111.9
510P37.3Very low30.9Very low125 Ų125163.1 Ų163.181%0.81281%0.812SS**  trans-125.7150.2138.334.7-23.9000112.5
511I29.1Very low30.8Very low163 Ų163160.1 Ų160.184%0.83680%0.803SS**  trans-86.7144.5174.2-64.5164.1000108.7
512R27Very low30.8Very low235 Ų235161.9 Ų161.989%0.88781%0.806SS**  140.3146.2126.9-160.1166.9-179.5172.10115.9
513A28.4Very low30.7Very low79 Ų79163.1 Ų163.165%0.65381%0.805SS**  trans97.9103.5163.400000114.6
514E29.1Very low31Very low183 Ų183162.7 Ų162.786%0.85580%0.798SS**  62.3127.794.8-73.9-177.4166.600110.9
515E28Very low31.6Very low150 Ų150159.7 Ų159.770%0.70180%0.795SS**  cis-171146.941.1-143.5-168.513800109.5
516R30.3Very low31.6Very low204 Ų204159 Ų15977%0.7779%0.792SS**  trans56.4126.8136.1-106.8-179.7-167.7172.2-1.1125.9
517T28.4Very low31.9Very low131 Ų131157 Ų15780%0.80479%0.785SS**  trans84.4134.2133.718.70000123.1
518R29.5Very low32.1Very low235 Ų235154.2 Ų154.289%0.88779%0.785SS**  trans-74.5-164.1177.8-66.7178.9168.3170.6-4113.7
519P48.9Very low32.2Very low96 Ų96152 Ų15262%0.62378%0.782SS**  -129.5-162.2-61.135.9-16.1000112.5
520D29.1Very low33.1Very low148 Ų148152.5 Ų152.579%0.79178%0.783SS**  trans83.6150.8163.5-56-25000117.1
521S29.6Very low32.9Very low95 Ų95150.6 Ų150.666%0.66478%0.777SS**  cis-174.4156.3-18.956.90000108.1
522Y30.7Very low33.1Very low215 Ų215151.4 Ų151.484%0.84378%0.775SS**  trans64.8133.6143.8-89.4-62000125.9
523I32.8Very low33.3Very low152 Ų152151.5 Ų151.578%0.77978%0.775SS**  trans92.7127.1139.1-60.2170.7000122.2
524E32.2Very low33.3Very low160 Ų160152.6 Ų152.675%0.74878%0.778SS**  trans-40.7168.7162.8-97.6-179.4159.600118.4
525P45.1Very low34.2Very low128 Ų128150.1 Ų150.183%0.83178%0.778SS**  -143.6178.4107.734.8-16.9000116.2
526T31.8Very low34.6Very low117 Ų117153.5 Ų153.572%0.71878%0.784SS**  trans-109.3158.1-143.3-22.70000115.3
527A36.9Very low34.7Very low80 Ų80149.8 Ų149.866%0.66178%0.78SS**  trans62.4132.313900000123.9
528M31.8Very low35Very low187 Ų187151.1 Ų151.192%0.92178%0.78SS**  170.7135.2107-82.1-93.1-178.700112.7
529K32.3Very low35.2Very low198 Ų198150.8 Ų150.886%0.86178%0.779SS**  trans-87.6-179.2167.3-77.9-177.8177.6175.20109.3
530P46.3Very low34.2Very low122 Ų122154.6 Ų154.679%0.79279%0.79SS**  cis-158.6176.630.443.5-18.8000121.9
531A33.3Very low34.3Very low84 Ų84156 Ų15669%0.69479%0.789SS**  trans73.8122.5133.500000126.7
532K33.7Very low34.3Very low181 Ų181156 Ų15679%0.78779%0.79SS**  108.2123.8121.4-83.5171.6-173.7176.70122.6
533R30.2Very low34.2Very low237 Ų237155.7 Ų155.789%0.89479%0.793SS**  trans104.9133.9130.9-85.2179.7175.5168.2-2.3121.7
534S28.9Very low33.8Very low102 Ų102157.1 Ų157.171%0.71380%0.797SS**  trans-86.9-177.2-176.667.10000115.3
535P48.5Very low33.7Very low130 Ų130157.7 Ų157.784%0.84480%0.799SS**  -137.7158.2101.123-2000118.2
536R37.2Very low32.8Very low221 Ų221159 Ų15983%0.83480%0.799SS**  trans-61172.3170.5-82.5172.8164.3-173.8-1.7113.9
537N32.6Very low32.6Very low127 Ų127162.3 Ų162.368%0.67981%0.811SS**  cis-169.3156.4-2.9-102.4-31.6000105.1
538I34.1Very low32.2Very low158 Ų158168.1 Ų168.181%0.8183%0.825SS**  -177.6124.196.4-82.9162.5000110.3
539R32.8Very low32Very low228 Ų228162.7 Ų162.786%0.8682%0.817SS**  trans38.2134.2137-128.1173.2-173.8167.52120.5
540M29.2Very low31.8Very low176 Ų176162.1 Ų162.187%0.86782%0.822SS**  cis-151.1151.449.7-91.5175.562.100115.1
541K30.2Very low30.9Very low177 Ų177164.5 Ų164.577%0.7782%0.823SS**  trans-78.1143.1-177.9-66.8177.6174.1-173.20112.3
542S29.6Very low30.7Very low97 Ų97168.8 Ų168.868%0.67883%0.829SS**  58.6118.566.790.90000116.3
543F28Very low30.5Very low207 Ų207164.9 Ų164.991%0.90883%0.83SS**  trans-151.7116.1148.8-88.6-72.1000111.2
544Q25.8Very low30.5Very low183 Ų183162 Ų16286%0.85583%0.831SS**  trans-141.5143.1155.6-175.2165.8-15.100105.9
545Q29.2Very low30.5Very low171 Ų171161.9 Ų161.980%0.79984%0.836SS**  trans89.698.4-176-63.4174.1-29.900115.7
546D26.4Very low29.6Very low157 Ų157159 Ų15984%0.8483%0.829SS**  -176.6119.4112.7-88.7-17.6000110
547L27.8Very low29.2Very low185 Ų185155.1 Ų155.197%0.96983%0.83SS**  trans-156.776.8148.8-149.581.6000110.9
548Q28.1Very low28.9Very low203 Ų203154.2 Ų154.295%0.94983%0.834SS**SBendtrans-140.8109.4148.3-163.9163.22000106.5
549G27.5Very low28.6Very low73 Ų73152.5 Ų152.575%0.75383%0.831SS**  trans139.374.1178.600000114
550L28.3Very low28.6Very low185 Ų185152.5 Ų152.597%0.96983%0.831SS**  trans-146.778.6152.6-140.6126.8000109.4
551Q26.9Very low28.5Very low172 Ų172148.6 Ų148.680%0.80482%0.821SS**  trans-120.7127.2157.2-174.415810.800106.6
552E30.4Very low28.6Very low175 Ų175145.9 Ų145.982%0.81882%0.815SS**  trans83.6106.6169.1-69.8168-16200120.2
553A27.9Very low28.7Very low99 Ų99147.7 Ų147.782%0.81882%0.815SS**  -169.1102.3118.900000111.9
554I30.5Very low28.7Very low177 Ų177145 Ų14591%0.90881%0.811SS**  trans-138.1137.5135.3-63.8-172.6000106.9
555A29.8Very low29.2Very low99 Ų99142.9 Ų142.982%0.81881%0.81SS**  trans-87.9167.5-159.900000116.7
556G29.3Very low29.1Very low69 Ų69138.5 Ų138.571%0.71181%0.811SS**  trans96.8129.7154.100000113.9
557T28.5Very low29.8Very low139 Ų139138.9 Ų138.985%0.85381%0.812SS**  cis-169.3127.723.534.40000106.5
558S26.7Very low30Very low109 Ų109139.2 Ų139.276%0.76281%0.808SS**  104.1138100.6-164.30000115.3
559V27.8Very low30.3Very low122 Ų122137.8 Ų137.874%0.73980%0.802SS**  trans80.195.6162.1-1590000117.2
560R31.8Very low30.5Very low227 Ų227143.4 Ų143.486%0.85781%0.805SS**  63.8113.583.7-156.1-177.9-168.1178.63.6112
561S28.1Very low30.9Very low94 Ų94141.8 Ų141.866%0.65780%0.798SS**  171123.688.6164.90000112.6
562N31.3Very low32Very low121 Ų121139.3 Ų139.365%0.64780%0.796SS**  trans62.3118.1134.3-60.3-13.8000122.2
563I33.6Very low32Very low134 Ų134137.8 Ų137.869%0.68779%0.794SS**  71.7126.393.3-59.9161.1000110.7
564N28.1Very low32.1Very low152 Ų152140.4 Ų140.481%0.81379%0.793SS**  cis-165.616643.2-134.8-15000112.9
565V36.1Very low32.1Very low137 Ų137139.6 Ų139.683%0.8379%0.786SS**  trans-72.2149.5168.41710000111.8
566G27.2Very low32.2Very low80 Ų80142 Ų14283%0.82579%0.785SS**  trans-165.8111165.600000112.4
567L39.5Very low32.2Very low164 Ų164143 Ų14386%0.85979%0.787SS**  trans-93.2137.7172.2-161.299.1000107.6
568E31.9Very low32.3Very low193 Ų193145.6 Ų145.690%0.90279%0.787SS**  trans172154.2138.6-98.3-179.2169.400114.1
569E35.9Very low32.4Very low173 Ų173146.6 Ų146.681%0.80879%0.787SS**  trans-74.4160.7-171.7-55.5-178.4140.900116.1
570K30.8Very low32.4Very low190 Ų190145.8 Ų145.883%0.82679%0.787SS**  139.4124.3124.2-95.6178.6174.1170.50115
571D37Very low32.2Very low152 Ų152141.9 Ų141.981%0.81378%0.784SS**  trans-66.7155149.4-100-31.2000110.4
572P49.2Very low32.4Very low119 Ų119144.5 Ų144.577%0.77379%0.789SS**  -154.3155.66537.8-15.4000119.2
573N30.6Very low32.2Very low144 Ų144145.6 Ų145.677%0.7779%0.79SS**  trans29123.1133.8-143.82000121.2
574L30.5Very low32Very low153 Ų153146 Ų14680%0.80179%0.789SS**  162.3131.7113.6-169.464000113.4
575E31.1Very low32Very low161 Ų161146.8 Ų146.875%0.75279%0.787SS**  trans-28.3146.3163.3-62.3-75.2161.400118.5
576D31Very low32.1Very low149 Ų149146.3 Ų146.380%0.79779%0.785SS**  168.6159.5101.5-154.31.9000112.6
577A30.3Very low32.7Very low91 Ų91148.7 Ų148.775%0.75279%0.786SS**  trans11188.115800000118.9
578F29.7Very low32.4Very low193 Ų193150.3 Ų150.385%0.84679%0.786SS**  trans-56.5158.1154.8-80.8-102.1000114.2
579V28.9Very low32.3Very low129 Ų129152.1 Ų152.178%0.78279%0.785SS**  177.7115.2118.8157.20000111
580S27.6Very low32Very low105 Ų105149.8 Ų149.873%0.73479%0.787SS**  trans47.9146134-49.60000123
581N27.4Very low32Very low146 Ų146148.3 Ų148.378%0.78178%0.784SS**  cis179.4170.4-16.9-157.2-8.1000107.7
582I32Very low31.7Very low149 Ų149146.4 Ų146.476%0.76478%0.782SS**  trans88.9139.3163.8-49.4172.5000117.1
583Q28.3Very low30.9Very low144 Ų144148.9 Ų148.967%0.67378%0.783SS**  cis-178.5148-26.1178154.4-2.600107.6
584E29.2Very low31.2Very low142 Ų142146.5 Ų146.566%0.66478%0.778SS**  trans70.1120.8151-84.5167.9-170.800126.6
585Q28.3Very low31.3Very low168 Ų168146 Ų14679%0.78578%0.776SS**  73.1141.4124.9-73.2-174.137.700125
586T37.3Very low31.4Very low127 Ų127146 Ų14678%0.77978%0.778SS**  trans-50.4161.4-17652.30000118.3
587P40.7Very low31.6Very low130 Ų130148.2 Ų148.284%0.84478%0.781SS**  -149.1-169.7114.935.8-15.7000117.3
588K32.9Very low31.8Very low198 Ų198148.7 Ų148.786%0.86178%0.775SS**  trans-95.2159.9-152.2-59.7164.8175.4169.60117.3
589R29.5Very low32Very low231 Ų231146.8 Ų146.887%0.87277%0.772SS**  trans48.5130.3134.2-161.3-179.8-166.6161.84.6122
590S30.1Very low31.9Very low124 Ų124148.8 Ų148.887%0.86777%0.772SS**  trans-161.9-177.6134.365.10000111.6
591Q30.7Very low32.4Very low160 Ų160152.3 Ų152.375%0.74877%0.774SS**  -150.1142.8-121.3173.9178.9-1.900110.5
592S30.9Very low33.4Very low112 Ų112151.2 Ų151.278%0.78378%0.775SS**  trans173106.5153.1-169.10000108.8
593Q32.8Very low33.5Very low170 Ų170153.8 Ų153.879%0.79478%0.781SS**  45.2136.178.7-72.3-155.5-2.500114.6
594S36.6Very low33.7Very low95 Ų95150.6 Ų150.666%0.66479%0.787SS**  cis-157.1165.62.461.80000107.3
595D33Very low33.7Very low141 Ų141148.5 Ų148.575%0.75479%0.788SS**  -172.9134.765-111.23.1000109.7
596M32.1Very low33.9Very low161 Ų161148.5 Ų148.579%0.79379%0.788SS**  trans-110.3129.7166.9-165.1-159.8158.900107.5T598M596-T598 WeakPolarHBondContact CE-OG1 3.29Å
597K35.4Very low33.5Very low197 Ų197151.4 Ų151.486%0.85779%0.79SS**  trans-118.7105.4165.5-88.3-176.6178.1175.70110.3
598T35.4Very low33.4Very low101 Ų101155 Ų15562%0.6279%0.787SS**  trans-72.2144.5150.2-49.20000108M596M596-T598 WeakPolarHBondContact CE-OG1 3.29Å
599I32Very low33.9Very low153 Ų153150.9 Ų150.979%0.78578%0.781SS**  trans179.7122.5138.2-89.9152.7000111.4
600H28.4Very low34.1Very low170 Ų170147.4 Ų147.479%0.78778%0.778SS**  trans71.4124.6141.6-85.4-102.9000125.5
601F36.9Very low34.1Very low179 Ų179145 Ų14579%0.78577%0.774SS**  trans-65.9161.8147.5-75.6-92.3000112.9
602P47.8Very low34.4Very low124 Ų124143.4 Ų143.481%0.80578%0.777SS**  trans-127.8145.2135.634.3-21.7000113.6
603F35.3Very low34.6Very low202 Ų202144.3 Ų144.389%0.88678%0.782SS**  trans-94.2146.9159.6-89.3-89.8000109.3
604G31.6Very low35.1Very low77 Ų77142.3 Ų142.379%0.79478%0.783SS**  trans118.3122.7141.500000119.4
605S30.4Very low34.9Very low99 Ų99143.6 Ų143.669%0.69279%0.787SS**  trans101105.8149.2-75.60000123.2
606E32.6Very low34.9Very low167 Ų167144.9 Ų144.978%0.7879%0.793SS**  91.4109117.1-66171.4-12000122.5
607F28.6Very low34.7Very low189 Ų189142.9 Ų142.983%0.82980%0.795SS**  trans47112.4135.4-84.9-93.8000123.3
608R37.7Very low34.6Very low206 Ų206144.8 Ų144.878%0.77780%0.797SS**  30159.8128-69.3-157.7-173.5-1474.2121.6
609P44.4Very low34.5Very low111 Ų111149.6 Ų149.672%0.72181%0.809SS**  cis-146.2159.726.436.9-13.6000120.7
610L33.9Very low34.5Very low157 Ų157146.3 Ų146.382%0.82281%0.805SS**  trans34.4123.1141.3-60.9170.5000124.9
611G28.6Very low34.7Very low75 Ų75145.4 Ų145.477%0.77381%0.806SS**  98.9166.2125.800000118.5
612P37Very low34.4Very low126 Ų126143.3 Ų143.382%0.81880%0.803SS**  cis-119.8151.9-37.235.3-20.6000112.9
613C35Very low33.7Very low131 Ų131147.4 Ų147.489%0.88581%0.808SS**PPolyproline II helixtrans-86.2132.2169.9-65.30000111.4
614P43.4Very low33.4Very low127 Ų127142.8 Ų142.883%0.82580%0.797SS**PPolyproline II helixtrans-91.7143.716132.8-26.3000111.9
615T32.6Very low33.3Very low122 Ų122150.4 Ų150.475%0.74880%0.803SS**PPolyproline II helixtrans-79.2165.4175.343.70000113.4
616L33.1Very low33.5Very low168 Ų168152.6 Ų152.688%0.8880%0.804SS**  trans100.5116.9158.1-55.4167.9000115.9
617S28.1Very low33.4Very low119 Ų119154.5 Ų154.583%0.83281%0.81SS**  -178138.197.7-168.40000112.1
618R33.9Very low33.5Very low237 Ų237149.3 Ų149.389%0.89480%0.803SS**  trans-84.8143.8176.1-151.4178.2-173.5-177.6-0.1108.8
619K32.7Very low33.2Very low202 Ų202148.1 Ų148.188%0.87881%0.806SS**  trans-143.1114.7157.5-87.8-171.7173.3-178.40106
620A32Very low32.4Very low85 Ų85150.7 Ų150.770%0.70281%0.808SS**  68.7132.780.600000111.2
621D32.6Very low32Very low151 Ų151151.7 Ų151.781%0.80781%0.809SS**  cis-173.2-179.6-3.6-128.6-25.1000108.7
622L31.6Very low32.2Very low135 Ų135155.9 Ų155.971%0.70781%0.813SS**  trans91.3107.9158.6-72.4139.8000120.1
623F31.7Very low32.5Very low209 Ų209156 Ų15692%0.91781%0.814SS**  -160.7135.197.7-101.7-76.5000111.1
624T30.5Very low32.3Very low106 Ų106154.1 Ų154.165%0.6581%0.807SS**  trans-110.5141.7-179-59.30000110.3M626T624-M626 HydrophobicContact CG2-CG 4.46Å
625Y28.8Very low31.5Very low236 Ų236154.5 Ų154.593%0.92581%0.807SS**  trans-142.2139.7149.1-119-88.3000109.5
626M34.2Very low31.3Very low146 Ų146156.4 Ų156.472%0.71981%0.812SS**  trans-92.5159.5-162.4-71.2-143.367.500115.8T624T624-M626 HydrophobicContact CG2-CG 4.46Å
627F30.3Very low31.3Very low206 Ų206156 Ų15690%0.90481%0.807SS**  trans-171104.9131.5-94-73.9000107
628A32.2Very low31.2Very low81 Ų81157.7 Ų157.767%0.66981%0.807SS**  55.8137.799.600000115
629E30.3Very low31.1Very low180 Ų180153.8 Ų153.884%0.84180%0.799SS**  cis-177.9144.8-14.1-166.6174.3-144.700104.9
630Q27.7Very low30.8Very low165 Ų165149.1 Ų149.177%0.77179%0.791SS**  trans156.4113.1139.5-88.8-178.9-29.400115.4
631E26.7Very low30.8Very low178 Ų178151 Ų15183%0.83279%0.794SS**  trans69.7119.9131-65.6-177.7169.600123.2
632L31.3Very low30.8Very low164 Ų164147.9 Ų147.986%0.85979%0.79SS**  trans-105161.4159-94.7173.2000106.9
633P44.2Very low30.8Very low129 Ų129150 Ų15084%0.83880%0.796SS**  -153.7175.57137.3-13.5000118.8
634A29.5Very low30.8Very low91 Ų91151.1 Ų151.175%0.75279%0.794SS**  trans-76.8162.9-170.500000116.5
635V27.8Very low30.8Very low134 Ų134156.2 Ų156.281%0.81280%0.803SS**  trans-146.6117.3158.6174.30000112.1
636L28.3Very low30.9Very low163 Ų163151.1 Ų151.185%0.85380%0.796SS**  trans49.8139.8136.5-75.6156000126.4
637M32.8Very low30.7Very low160 Ų160148 Ų14879%0.78879%0.793SS**  trans-45.8154.5162.2-74.3-110.6-175.400116.8
638D26.3Very low30.7Very low154 Ų154143.4 Ų143.482%0.82479%0.787SS**  -163.8161113.5-144.2-2000114.8
639Q31Very low30.6Very low155 Ų155148.6 Ų148.672%0.72480%0.797SS**  trans-93.2175.9-168.4-67.2177.5-200116.2
640S27.8Very low30.6Very low103 Ų103145.4 Ų145.472%0.7280%0.795SS**  trans92.3145.4152.297.80000115.5
641T31Very low30.8Very low124 Ų124142.5 Ų142.576%0.76179%0.793SS**  cis-165.3148.128.2-8.30000110.2
642A33Very low31Very low87 Ų87140.8 Ų140.872%0.71979%0.789SS**  trans53.8147.1140.400000120.7
643E32.1Very low31.1Very low180 Ų180138.3 Ų138.384%0.84179%0.786SS**  cis-156.4130.128.3-70.1179.714100109.6
644R31Very low30.6Very low232 Ų232140.9 Ų140.988%0.87579%0.786SS**  49.2121.6107.1-69.6-168.4-161.8154.86.6119.8
645Y29.6Very low30.7Very low213 Ų213141.2 Ų141.284%0.83578%0.784SS**  165.9107.1119.9-104.5-89.2000107.6
646V32.7Very low31Very low128 Ų128142.9 Ų142.978%0.77678%0.783SS**  57.7128.778.3-179.50000111.9
647A29.7Very low31.2Very low80 Ų80141.1 Ų141.166%0.66177%0.773SS**  cis-175.4179.4-5.200000109.6
648S29.6Very low31.1Very low110 Ų110141.5 Ų141.577%0.76978%0.777SS**  trans88.1111.5152.2-51.50000116.7
649E30.5Very low31.3Very low190 Ų190143.5 Ų143.589%0.88878%0.778SS**  68.211950.8-63.2-162.6166.400115.9
650S30.1Very low32.2Very low113 Ų113140.8 Ų140.879%0.7977%0.774SS**  trans158120.7138.268.20000110.4
651S31.1Very low32.3Very low105 Ų105142.2 Ų142.273%0.73477%0.774SS**  81.8141.888.7-1740000111.8
652D32.7Very low32.2Very low141 Ų141145.5 Ų145.575%0.75477%0.774SS**  cis-170.9168.2-3.7-119.8-43.5000109.4
653S33.4Very low32.2Very low112 Ų112151.6 Ų151.678%0.78378%0.78SS**  trans88.3136.9145.7-62.80000124.7
654E31.8Very low32.1Very low183 Ų183147 Ų14786%0.85577%0.772SS**  trans-66.6173.9177.2-56.6-171.113600113.9
655S32.3Very low32.2Very low99 Ų99144.4 Ų144.469%0.69278%0.775SS**  -169.715250-50.90000114.4
656E34.1Very low32.4Very low169 Ų169145.4 Ų145.479%0.7978%0.779SS**  trans66124.4134.4-74.9-171.1162.900127
657I33Very low32.3Very low126 Ų126142.6 Ų142.665%0.64678%0.776SS**  trans77.6103.4130.6-60.3164000120.4
658L31.1Very low32.5Very low168 Ų168148.5 Ų148.588%0.8879%0.786SS**  175.4129.1116.7-92163.1000111.3
659K30Very low32.6Very low195 Ų195151.3 Ų151.385%0.84879%0.787SS**  trans-101.2174.3164.4-94.7-175.4-179.2178.80108.3
660P49.7Very low32.6Very low98 Ų98150.6 Ų150.664%0.63679%0.788SS**  cis-132166.5-22.731-11.2000112.8
661D30.1Very low32.7Very low134 Ų134156.2 Ų156.272%0.71779%0.791SS**  169.8126.9118.2-87.1-22000113.9
662Y29Very low32.6Very low193 Ų193156.2 Ų156.276%0.75779%0.791SS**  trans66.7129.5142.1-86.7-85.5000124.5
663Y32.4Very low32.7Very low215 Ų215155.7 Ų155.784%0.84380%0.796SS**  trans93.5137.5153.8-79.8-74.1000121.7
664A31.3Very low32.6Very low82 Ų82159 Ų15968%0.67880%0.801SS**  trans-85.5155.9-160.200000114.4
665L32.9Very low32.6Very low179 Ų179154.7 Ų154.794%0.93780%0.797SS**  trans-156.3125.9154.1-102.5149.2000110.9
666Y33.9Very low32.6Very low234 Ų234159.3 Ų159.392%0.91880%0.799SS**  trans-71136.7178.6-96.5-99.1000112.1
667G30.3Very low32.4Very low69 Ų69158 Ų15871%0.71180%0.796SS**  trans-112.1126.5170.300000113
668K33.3Very low32.6Very low203 Ų203160 Ų16088%0.88380%0.796SS**  trans40.3115.5143.9-78.7176.1174.5174.90122.1
669E30.8Very low32.8Very low169 Ų169157.7 Ų157.779%0.7978%0.783SS**  trans2.3128.1134.3-63.3-176.7132.200120.3
670I30.7Very low33.1Very low175 Ų175151.7 Ų151.790%0.89777%0.766SS**  trans-134.4112138.2-59.6179.1000107.8
671R32.9Very low33Very low231 Ų231149.4 Ų149.487%0.87275%0.753SS**  trans-100.4113177.4-119.5-176.9-177.6178.35.4109.5
672S29.6Very low34.2Very low105 Ų105143.1 Ų143.173%0.73472%0.719SS**  trans-77.6140.416851.40000111.4M674S672-M674 PolarHBondContact O-N 2.83Å
673P34.6Very low35.6Very low130 Ų130137.2 Ų137.284%0.84471%0.706SS**  trans-84.8104.2-176.532.5-30.2000110.6A675P673-A675 PolarHBondContact O-N 2.89Å
674M30.9Very low37.6Very low182 Ų182128.8 Ų128.890%0.89768%0.675SS**  trans-83.5106.6168-160175.9-168.900109.1S672 R676S672-M674 PolarHBondContact O-N 2.83Å; M674-R676 PolarHBondContact O-N 3.05Å
675A31.3Very low39.6Very low93 Ų93130.2 Ų130.277%0.76967%0.668SS**  trans-60.495.1173.100000110.3P673 I677P673-A675 PolarHBondContact O-N 2.89Å; A675-I677 PolarHBondContact O-N 2.89Å; A675-I677 VanDerWaalsContact O-N 3.13Å
676R33.3Very low41.5Very low195 Ų195122.4 Ų122.474%0.73663%0.627SS**  trans-81.492.1178.4-162.5-176.6-84.7173.8-9.6109M674 R678M674-R676 PolarHBondContact O-N 3.05Å; R676-R678 VanDerWaalsContact C-N 3.29Å; R676-R678 HydrophobicContact CG-CG 4.27Å; R676-R678 PolarHBondContact O-N 3.34Å
677I30.2Very low42.3Very low142 Ų142116.5 Ų116.573%0.72861%0.611SS**  trans-64.492.3166.7-59.6176.1000108A675 L679A675-I677 PolarHBondContact O-N 2.89Å; A675-I677 VanDerWaalsContact O-N 3.13Å; I677-L679 HydrophobicContact CG2-CD2 4.21Å; I677-L679 HydrophobicContact CG2-CG 4.46Å; I677-L679 PolarHBondContact O-N 3.3Å
678R37.3Very low42.9Very low169 Ų169120 Ų12064%0.63861%0.609SS**  trans-74.4107.2171-78.9-177.5165146.2-5.6109.2K295 R676K295-R678 WeakPolarHBondContact CE-O 3.35Å; R676-R678 VanDerWaalsContact C-N 3.29Å; R676-R678 HydrophobicContact CG-CG 4.27Å; R676-R678 PolarHBondContact O-N 3.34Å
679L34.9Very low43.1Very low118 Ų118116.6 Ų116.662%0.61860%0.596SS**  trans-78.3141.8171.4-65.7172.2000110.5I677 S681I677-L679 HydrophobicContact CG2-CD2 4.21Å; I677-L679 HydrophobicContact CG2-CG 4.46Å; I677-L679 PolarHBondContact O-N 3.3Å; L679-S681 PolarHBondContact O-N 3.27Å
680S36.7Very low43.2Very low69 Ų69115.6 Ų115.648%0.48360%0.597SS.*  trans-41.3111.5179.9166.60000114.5
681S46.1Very low43.6Very low51 Ų51114.2 Ų114.236%0.35759%0.586SS.*  trans-119.6121.6165.8-75.30000109.2F233 L679F233-S681 WeakPolarHBondContact O-CB 3.47Å; F233-S681 PolarHBondContact O-OG 3.25Å; L679-S681 PolarHBondContact O-N 3.27Å
682G55Low43.6Very low1 Ų1110.9 Ų110.91%0.0159%0.586CS.*  trans-73.5138.8162.900000108.8S232S232-G682 WeakPolarHBondContact CA-O 3.37Å; S232-G682 WeakPolarHBondContact CB-O 3.14Å
683S59.1Low43.5Very low70 Ų70109.7 Ų109.749%0.4958%0.583SS.*EExtended strand (participates in β ladder)trans-133.9127.7172.155.10000110.1L231L231-S683 WeakPolarHBondContact O-CA 3.19Å
684L73.8Confident43.2Very low37 Ų37108.8 Ų108.819%0.19458%0.579CS.*EExtended strand (participates in β ladder)trans-107.7122.7167.3-179.772.4000107.3K230 L231 W268 V272 L686K230-L684 VanDerWaalsContact CA-O 3.28Å; K230-L684 WeakPolarHBondContact CA-O 3.45Å; K230-L684 WeakPolarHBondContact CG-O 3.35Å; L231-L684 PolarHBondContact N-O 2.83Å; L231-L684 PolarHBondContact O-N 3.27Å; W268-L684 HydrophobicContact CZ2-CB 4.33Å; V272-L684 HydrophobicContact CB-CD2 4.27Å; V272-L684 HydrophobicContact CG1-CD1 4.39Å; V272-L684 HydrophobicContact CG2-CB 4.1Å; V272-L684 HydrophobicContact CG2-CD1 4.36Å; V272-L684 HydrophobicContact CG2-CD2 3.79Å; V272-L684 HydrophobicContact CG2-CG 4.3Å; L684-L686 HydrophobicContact CD1-CD2 4.43Å; L684-L686 HydrophobicContact CD2-CD2 3.47Å; L684-L686 VanDerWaalsContact CD2-CD2 3.47Å; L684-L686 HydrophobicContact CD2-CG 4.48Å; L684-L686 HydrophobicContact CG-CD2 3.71Å
685Q74.6Confident43Very low112 Ų112109 Ų10952%0.52358%0.575SS.*EExtended strand (participates in β ladder)trans-99.5133.2168.1-175.5169.6-36.200107.1D687Q685-D687 PolarHBondContact NE2-OD1 2.88Å
686L72.1Confident42.7Very low15 Ų15111.9 Ų111.98%0.07958%0.578CS.*  trans-99.3108.5176.4-56.6-173.3000105.7W225 I228 R229 H275 L684W225-L686 HydrophobicContact CE3-CD1 4.38Å; I228-L686 HydrophobicContact CB-CD1 4.11Å; I228-L686 HydrophobicContact CG2-CD1 3.97Å; I228-L686 WeakPolarHBondContact O-CD1 3.43Å; R229-L686 PolarHBondContact O-N 3.43Å; R229-L686 VanDerWaalsContact O-N 3.13Å; H275-L686 VanDerWaalsContact CE1-CD2 3.46Å; H275-L686 WeakPolarHBondContact CE1-CD2 3.49Å; H275-L686 WeakPolarHBondContact NE2-CD2 3.41Å; L684-L686 HydrophobicContact CD1-CD2 4.43Å; L684-L686 HydrophobicContact CD2-CD2 3.47Å; L684-L686 VanDerWaalsContact CD2-CD2 3.47Å; L684-L686 HydrophobicContact CD2-CG 4.48Å; L684-L686 HydrophobicContact CG-CD2 3.71Å
687D49.9Very low42.5Very low110 Ų110108.5 Ų108.559%0.58858%0.579SS**  trans-91.4138.8173.5-60.2-37.8000107.1Q685 E689Q685-D687 PolarHBondContact NE2-OD1 2.88Å; D687-E689 PolarHBondContact O-N 2.96Å
688E43.9Very low42.5Very low143 Ų143107.9 Ų107.967%0.66858%0.584SS**  trans-75115.4174.5-67.3-179.1152.100107.8
689E38Very low42.2Very low131 Ų131106.5 Ų106.561%0.61260%0.595SS**  trans-84.3109.6163.5-72-179.2174.400106.2S281 D687 E691S281-E689 PolarHBondContact OG-OE2 3.26Å; D687-E689 PolarHBondContact O-N 2.96Å; E689-E691 PolarHBondContact O-N 3.02Å
690D33.4Very low42Very low148 Ų148105.7 Ų105.779%0.79161%0.605SS**  trans-58.9117.9173.5-76-41.4000109.6D692D690-D692 PolarHBondContact O-N 3.22Å
691E38.1Very low41.8Very low146 Ų146111.9 Ų111.968%0.68263%0.627SS**  trans-84.183.5170.3-74.5-149146.600110.1R307 E689R307-E691 IonicContact CZ-OE1 3.31Å; R307-E691 IonicContact NH1-OE1 3.79Å; R307-E691 PolarHBondContact NH1-OE1 3Å; R307-E691 IonicContact NH2-OE1 2.62Å; E689-E691 PolarHBondContact O-N 3.02Å
692D32.3Very low41.1Very low162 Ų162116.7 Ų116.787%0.86665%0.648SS**  trans-122.489.8159.7-86.1-36.7000109.3D690D690-D692 PolarHBondContact O-N 3.22Å
693A28.2Very low40.1Very low80 Ų80127.8 Ų127.866%0.66169%0.69SS**  trans-128.590.6165.100000108.5F695A693-F695 PolarHBondContact O-N 3.37Å
694S27.7Very low38.7Very low110 Ų110130.1 Ų130.177%0.76970%0.701SS**  trans-66.6118.4168.250.10000109.7N696S694-N696 PolarHBondContact O-N 2.96Å
695F26.6Very low36.5Very low186 Ų186133.3 Ų133.382%0.81673%0.726SS**  trans-84.5105.5170.2-78.8-89000109A693A693-F695 PolarHBondContact O-N 3.37Å
696N26Very low34.4Very low154 Ų154136 Ų13682%0.82474%0.743SS**  trans-97.4110.1161.3-76.1-25.1000109S694S694-N696 PolarHBondContact O-N 2.96Å
697T28.6Very low32.2Very low124 Ų124144.5 Ų144.576%0.76178%0.78SS**PPolyproline II helixtrans-75.2140.9166.641.50000110.6
698P31.2Very low31.6Very low130 Ų130144.5 Ų144.584%0.84479%0.786SS**PPolyproline II helixtrans-89.3122.7171.233.1-27000110.5
699T29.1Very low30.8Very low140 Ų140142.8 Ų142.886%0.85979%0.788SS**PPolyproline II helixtrans-83.5133.2162.316.90000109.4
700A31.1Very low30.4Very low101 Ų101142.4 Ų142.484%0.83579%0.791SS**PPolyproline II helixtrans-82.2127.6172.700000109.9
701E33.9Very low30.1Very low199 Ų199144.2 Ų144.293%0.9379%0.788SS**  trans-136.3145.9157.3-79.2-167.916500110.5
702D30.8Very low29.5Very low152 Ų152145.7 Ų145.781%0.81379%0.792SS**  trans-92.3133.8-165.3-171.315.4000110.7
703R32.9Very low29.2Very low234 Ų234145.6 Ų145.688%0.88379%0.791SS**  trans177110.3147.9-104.6168.6173.1170.3-0.9113.6
704T29.7Very low29.4Very low118 Ų118150.2 Ų150.272%0.72483%0.829SS**  trans16.8118.6135.453.20000119.4
705S28.9Very low29.4Very low104 Ų104152.2 Ų152.273%0.72783%0.832SS**  149.3136.510964.10000114.1
706L29.1Very low29.6Very low168 Ų168150.4 Ų150.488%0.8883%0.833SS**  trans70.1114.4151.2-68.6151.4000120.8
707K26.8Very low29.8Very low195 Ų195150.2 Ų150.285%0.84883%0.833SS**  trans-49174.6150.8-68.8177.9171.2177.90112.1
708P37.8Very low29.9Very low110 Ų110151.8 Ų151.871%0.71484%0.837SS**  cis-138.9176.24.436.2-14.9000116.1
709C27.5Very low29.8Very low106 Ų106153.1 Ų153.172%0.71684%0.837SS**  trans52.2130.6138.3-77.30000123
710N27.6Very low29.8Very low123 Ų123154 Ų15466%0.65884%0.835SS**  103.4124.3121.2-81.8-0.1000121.7
711Y27.8Very low29.7Very low186 Ų186157.8 Ų157.873%0.72984%0.835SS**  trans66.1117.1140.8-64.9-71.9000122
712F26Very low29.4Very low177 Ų177154.6 Ų154.678%0.77683%0.828SS**  50.6138.7124.5-85.1-101.4000122.8
713L25.1Very low29.3Very low161 Ų161154.8 Ų154.884%0.84383%0.829SS**  trans78.2107.8149.8-66.6157.5000119
714A32.1Very low29Very low176 Ų176147.6 Ų147.6100%1.45583%0.825SS**  -165.90105.800000109.8

Retrieved 714 of 714 residues in 369.9 ms (Link to these results)

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