A0A077ZAF4_TRITR Loading...

Oxidoreductase, short chain

AlphaFold DB , UniProt , Accession A0A077ZAF4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 276 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
1M58.7Low91.6Very high176 Ų17640 Ų4087%0.86723%0.226SC*.  0149.10-85.1178.9-9500108.6
2A78.5Confident92Very high81 Ų8138.5 Ų38.567%0.66922%0.218SC*.  trans-64152.8172.300000110.4
3E88Confident92.1Very high108 Ų10839.8 Ų39.851%0.50522%0.224SC..  trans-62.5138.6172.3-63.6-166.2143.400110Q28 K56E3-Q28 WeakPolarHBondContact CA-O 3.46Å; E3-K56 IonicContact OE1-NZ 2.94Å; E3-K56 PolarHBondContact OE1-NZ 3.17Å
4K94Very high92.2Very high54 Ų5437.8 Ų37.824%0.23522%0.217CC..EExtended strand (participates in β ladder)trans-127131.5178.1-68.6-178.6-179.1177.90109.1F6 Q28 H29 R30K4-F6 HydrophobicContact CB-CD2 4.41Å; K4-F6 HydrophobicContact CB-CE2 3.45Å; K4-F6 VanDerWaalsContact CB-CE2 3.45Å; K4-F6 HydrophobicContact CB-CZ 3.58Å; K4-F6 HydrophobicContact CD-CZ 3.9Å; K4-F6 HydrophobicContact CG-CZ 4.4Å; K4-F6 WeakPolarHBondContact O-CE2 3.4Å; K4-Q28 PolarHBondContact N-O 3.17Å; K4-Q28 VanDerWaalsContact N-O 3.15Å; K4-H29 CarbonylContact O-C 3.54Å; K4-H29 WeakPolarHBondContact O-CA 3.4Å; K4-R30 PolarHBondContact O-N 3.14Å
5S97.9Very high92.3Very high0 Ų036.3 Ų36.30%021%0.208CC..EExtended strand (participates in β ladder)trans-107.2128.7177.3-78.90000110.4R30 D83 T85 A86S5-R30 WeakPolarHBondContact CA-O 3.25Å; S5-R30 PolarHBondContact OG-NH1 2.74Å; S5-D83 PolarHBondContact OG-OD1 3.09Å; S5-D83 PolarHBondContact OG-OD2 3.3Å; S5-T85 PolarHBondContact N-OG1 2.84Å; S5-T85 PolarHBondContact O-N 2.78Å; S5-T85 PolarHBondContact O-OG1 3.2Å; S5-A86 PolarHBondContact O-N 3.05Å; S5-A86 VanDerWaalsContact O-N 3.17Å
6F98.6Very high92.6Very high1 Ų134.1 Ų34.10%0.00420%0.195CC..EExtended strand (participates in β ladder)trans-120.9125.4-175.9-54.5-97.1000110.4K4 L23 H29 R30 I32 A86 V225K4-F6 HydrophobicContact CB-CD2 4.41Å; K4-F6 HydrophobicContact CB-CE2 3.45Å; K4-F6 VanDerWaalsContact CB-CE2 3.45Å; K4-F6 HydrophobicContact CB-CZ 3.58Å; K4-F6 HydrophobicContact CD-CZ 3.9Å; K4-F6 HydrophobicContact CG-CZ 4.4Å; K4-F6 WeakPolarHBondContact O-CE2 3.4Å; F6-L23 HydrophobicContact CB-CD1 3.92Å; F6-L23 HydrophobicContact CD1-CD1 4.07Å; F6-L23 HydrophobicContact CD1-CD2 4.13Å; F6-L23 HydrophobicContact CE1-CD2 4.13Å; F6-L23 HydrophobicContact CG-CD1 3.99Å; F6-L23 HydrophobicContact CG-CD2 4.48Å; F6-L23 HydrophobicContact CZ-CD2 4.45Å; F6-H29 HydrophobicContact CD2-CB 4.09Å; F6-H29 HydrophobicContact CE2-CB 3.68Å; F6-H29 AromaticContact CE2-CD2 3.57Å; F6-H29 AromaticContact CE2-CE1 3.95Å; F6-H29 AromaticContact CE2-CG 3.32Å; F6-H29 AromaticContact CE2-ND1 3.55Å; F6-H29 AromaticContact CE2-NE2 3.98Å; F6-H29 AromaticContact CZ-CE1 3.84Å; F6-H29 AromaticContact CZ-ND1 3.86Å; F6-H29 AromaticContact CZ-NE2 3.94Å; F6-R30 PolarHBondContact N-O 3.32Å; F6-I32 PolarHBondContact O-N 3.41Å; F6-A86 WeakPolarHBondContact CA-O 3.42Å; F6-A86 HydrophobicContact CD1-CB 3.61Å; F6-A86 HydrophobicContact CE1-CB 4.04Å; F6-A86 HydrophobicContact CG-CB 4.5Å; F6-V225 HydrophobicContact CD1-CB 4.14Å; F6-V225 HydrophobicContact CD1-CG2 3.89Å; F6-V225 HydrophobicContact CE1-CB 3.96Å; F6-V225 HydrophobicContact CE1-CG2 3.75Å
7L98.8Very high92.9Very high0 Ų033.4 Ų33.40%019%0.19CC..EExtended strand (participates in β ladder)trans-95.4123.9166.8174.466.4000109.5T9 I32 H34 V60 M73 I77 L84 A86 I87 V88 L119 L123L7-T9 HydrophobicContact CD2-CG2 4.44Å; L7-T9 HydrophobicContact CG-CG2 4.38Å; L7-I32 HydrophobicContact CD1-CB 4.06Å; L7-I32 HydrophobicContact CD1-CG2 3.79Å; L7-H34 HydrophobicContact CD1-CB 4.08Å; L7-V60 HydrophobicContact CD1-CG2 4.05Å; L7-M73 HydrophobicContact CD1-CE 4.18Å; L7-M73 HydrophobicContact CD2-CE 3.98Å; L7-I77 HydrophobicContact CD2-CD1 3.7Å; L7-L84 HydrophobicContact CB-CD1 3.86Å; L7-A86 PolarHBondContact N-O 3.24Å; L7-I87 HydrophobicContact CB-CG1 4.41Å; L7-I87 HydrophobicContact CB-CG2 4.49Å; L7-I87 HydrophobicContact CD2-CG1 4.47Å; L7-I87 HydrophobicContact CD2-CG2 4.13Å; L7-I87 HydrophobicContact CG-CG2 4.44Å; L7-I87 CarbonylContact O-C 3.56Å; L7-I87 WeakPolarHBondContact O-CA 3.41Å; L7-V88 PolarHBondContact O-N 3.13Å; L7-L119 HydrophobicContact CD2-CD2 4.14Å; L7-L123 HydrophobicContact CD2-CD1 4.43Å
8V98.8Very high93.2Very high0 Ų033.1 Ų33.10%019%0.187CC..EExtended strand (participates in β ladder)trans-115.3109.3174.3-171.80000108.8S11 T19 A20 L23 V31 I32 H34 V88V8-S11 WeakPolarHBondContact O-CB 3.39Å; V8-S11 PolarHBondContact O-OG 3.03Å; V8-T19 HydrophobicContact CG1-CG2 4.1Å; V8-T19 HydrophobicContact CG2-CG2 4.16Å; V8-A20 HydrophobicContact CG2-CB 4.5Å; V8-L23 HydrophobicContact CG2-CD1 3.86Å; V8-V31 HydrophobicContact CG2-CG1 4.4Å; V8-I32 PolarHBondContact N-O 3.08Å; V8-I32 VanDerWaalsContact N-O 3.16Å; V8-H34 PolarHBondContact O-N 3.29Å; V8-V88 HydrophobicContact CB-CB 4.49Å; V8-V88 HydrophobicContact CG1-CB 4.14Å; V8-V88 HydrophobicContact CG1-CG1 4.36Å; V8-V88 HydrophobicContact CG2-CB 4.35Å; V8-V88 HydrophobicContact CG2-CG2 4.37Å
9T98.8Very high93.4Very high0 Ų031.4 Ų31.40%018%0.177CC..THydrogen-bonded Turntrans-74.9138.3-177.868.80000111.4L7 S11 H34 F64 V88 C89 N90 A91 H116 L119L7-T9 HydrophobicContact CD2-CG2 4.44Å; L7-T9 HydrophobicContact CG-CG2 4.38Å; T9-S11 VanDerWaalsContact C-N 3.28Å; T9-S11 PolarHBondContact O-N 3.27Å; T9-H34 WeakPolarHBondContact CA-ND1 3.32Å; T9-H34 WeakPolarHBondContact CB-ND1 3.47Å; T9-F64 HydrophobicContact CG2-CE2 4.21Å; T9-F64 HydrophobicContact CG2-CZ 3.89Å; T9-V88 PolarHBondContact N-O 3.08Å; T9-V88 PolarHBondContact OG1-O 3Å; T9-C89 WeakPolarHBondContact OG1-CA 3.37Å; T9-N90 CarbonylContact O-C 3.43Å; T9-N90 VanDerWaalsContact O-CB 3.28Å; T9-N90 WeakPolarHBondContact O-CB 3.36Å; T9-N90 PolarHBondContact O-ND2 3.36Å; T9-N90 PolarHBondContact OG1-N 3.42Å; T9-A91 PolarHBondContact O-N 2.79Å; T9-A91 VanDerWaalsContact O-N 3.11Å; T9-A91 PolarHBondContact OG1-N 2.81Å; T9-H116 PolarHBondContact OG1-NE2 3.19Å; T9-L119 HydrophobicContact CG2-CD2 4.11Å
10G97.6Very high93.7Very high20 Ų2029.8 Ų29.821%0.20617%0.169CC..THydrogen-bonded Turntrans66.332.8178.600000112.7T12 H34 N90G10-T12 VanDerWaalsContact C-N 3.26Å; G10-T12 PolarHBondContact O-N 3.3Å; G10-H34 CarbonylContact C-O 3.56Å; G10-H34 WeakPolarHBondContact CA-O 3.35Å; G10-H34 PolarHBondContact N-ND1 2.95Å; G10-H34 VanDerWaalsContact N-ND1 3.1Å; G10-H34 PolarHBondContact N-O 3.1Å; G10-H34 VanDerWaalsContact N-O 3.07Å; G10-N90 PolarHBondContact O-ND2 2.9Å
11S97.6Very high93.9Very high0 Ų028.6 Ų28.60%016%0.162CC..THydrogen-bonded Turntrans-88.320.2-175.845.70000114.2V8 T9 D13 G16 L17 V33 H34V8-S11 WeakPolarHBondContact O-CB 3.39Å; V8-S11 PolarHBondContact O-OG 3.03Å; T9-S11 VanDerWaalsContact C-N 3.28Å; T9-S11 PolarHBondContact O-N 3.27Å; S11-D13 VanDerWaalsContact C-N 3.34Å; S11-G16 VanDerWaalsContact CA-C 3.49Å; S11-G16 VanDerWaalsContact CB-O 3.3Å; S11-G16 WeakPolarHBondContact CB-O 3.5Å; S11-L17 WeakPolarHBondContact O-CA 3.26Å; S11-V33 WeakPolarHBondContact OG-CA 3.31Å; S11-H34 PolarHBondContact N-O 3.4Å; S11-H34 PolarHBondContact OG-N 2.87Å
12T96.6Very high95.7Very high22 Ų2223.4 Ų23.414%0.13513%0.132CC..THydrogen-bonded Turntrans-87.7-2.9175.565.10000114G10 V33 R40 A44G10-T12 VanDerWaalsContact C-N 3.26Å; G10-T12 PolarHBondContact O-N 3.3Å; T12-V33 HydrophobicContact CG2-CG1 4.25Å; T12-R40 HydrophobicContact CG2-CB 3.96Å; T12-R40 PolarHBondContact OG1-NE 2.65Å; T12-R40 PolarHBondContact OG1-NH2 3.23Å; T12-A44 HydrophobicContact CG2-CB 4.45Å
13D93.4Very high96.6Very high55 Ų5519.5 Ų19.529%0.29410%0.1SC..SBendtrans-164.6169-178.4-151.8-21.9000111.1S11 L17 R40 K201S11-D13 VanDerWaalsContact C-N 3.34Å; D13-L17 PolarHBondContact O-N 2.78Å; D13-L17 VanDerWaalsContact O-N 3.17Å; D13-R40 IonicContact OD2-NH2 2.65Å; D13-K201 VanDerWaalsContact OD2-CD 3.25Å; D13-K201 WeakPolarHBondContact OD2-CD 3.48Å; D13-K201 WeakPolarHBondContact OD2-CE 3.41Å; D13-K201 IonicContact OD2-NZ 3.8Å; D13-K201 PolarHBondContact OD2-NZ 3.31Å
14G93.7Very high97.1Very high12 Ų1214.7 Ų14.712%0.1248%0.078CC..Hα-helixtrans56-141168.300000114.6G16 L17 Q18G14-G16 VanDerWaalsContact C-N 3.32Å; G14-G16 PolarHBondContact O-N 3.03Å; G14-L17 PolarHBondContact O-N 2.99Å; G14-Q18 PolarHBondContact O-N 3.15Å
15I93.6Very high97.2Very high16 Ų1619.1 Ų19.18%0.0829%0.094CC..Hα-helixtrans-58.1-45.7-178.2-65.3159000110.6L17 Q18 T19 P195 V198 T200 G217I15-L17 VanDerWaalsContact C-N 3.32Å; I15-L17 PolarHBondContact O-N 3.47Å; I15-Q18 CarbonylContact O-C 3.58Å; I15-Q18 PolarHBondContact O-N 3.02Å; I15-Q18 VanDerWaalsContact O-N 3.11Å; I15-T19 PolarHBondContact O-N 2.94Å; I15-T19 PolarHBondContact O-OG1 3.39Å; I15-T19 VanDerWaalsContact O-OG1 3.1Å; I15-P195 HydrophobicContact CD1-CB 3.63Å; I15-P195 HydrophobicContact CD1-CG 3.66Å; I15-V198 HydrophobicContact CD1-CG2 3.56Å; I15-V198 HydrophobicContact CG1-CG2 3.8Å; I15-T200 HydrophobicContact CD1-CG2 4.34Å; I15-T200 HydrophobicContact CG1-CG2 4.1Å; I15-G217 WeakPolarHBondContact CG2-O 3.42Å
16G97Very high97.1Very high0 Ų020.3 Ų20.30%010%0.102CC..Hα-helixtrans-60-39.5-177.900000113.3S11 G14 T19 A20 N90S11-G16 VanDerWaalsContact CA-C 3.49Å; S11-G16 VanDerWaalsContact CB-O 3.3Å; S11-G16 WeakPolarHBondContact CB-O 3.5Å; G14-G16 VanDerWaalsContact C-N 3.32Å; G14-G16 PolarHBondContact O-N 3.03Å; G16-T19 PolarHBondContact O-N 3.26Å; G16-A20 WeakPolarHBondContact O-CB 3.49Å; G16-A20 PolarHBondContact O-N 2.69Å; G16-N90 VanDerWaalsContact CA-ND2 3.32Å; G16-N90 WeakPolarHBondContact CA-ND2 3.33Å
17L97.7Very high96.9Very high22 Ų2224.1 Ų24.112%0.11513%0.127CC..Hα-helixtrans-64.1-44.6174.7178.159.8000111.3S11 D13 G14 I15 T19 A20 L21 A44 Y47 I48S11-L17 WeakPolarHBondContact O-CA 3.26Å; D13-L17 PolarHBondContact O-N 2.78Å; D13-L17 VanDerWaalsContact O-N 3.17Å; G14-L17 PolarHBondContact O-N 2.99Å; I15-L17 VanDerWaalsContact C-N 3.32Å; I15-L17 PolarHBondContact O-N 3.47Å; L17-T19 VanDerWaalsContact C-N 3.35Å; L17-A20 PolarHBondContact O-N 3.49Å; L17-L21 WeakPolarHBondContact O-CB 3.35Å; L17-L21 PolarHBondContact O-N 3.29Å; L17-A44 HydrophobicContact CD1-CB 3.83Å; L17-Y47 HydrophobicContact CD1-CD1 3.89Å; L17-Y47 HydrophobicContact CD1-CE1 4.4Å; L17-Y47 HydrophobicContact CD2-CD1 3.88Å; L17-Y47 HydrophobicContact CD2-CE1 4.02Å; L17-Y47 HydrophobicContact CG-CD1 4Å; L17-Y47 HydrophobicContact CG-CE1 4.07Å; L17-I48 HydrophobicContact CD1-CD1 4.11Å; L17-I48 HydrophobicContact CD1-CG1 4.15Å
18Q97.5Very high96.6Very high29 Ų2927.2 Ų27.214%0.13614%0.141CC..Hα-helixtrans-68.4-34.7179-65.6-60.4-42.200112.2G14 I15 R22 Y47 P214 L215G14-Q18 PolarHBondContact O-N 3.15Å; I15-Q18 CarbonylContact O-C 3.58Å; I15-Q18 PolarHBondContact O-N 3.02Å; I15-Q18 VanDerWaalsContact O-N 3.11Å; Q18-R22 WeakPolarHBondContact O-CB 3.48Å; Q18-R22 VanDerWaalsContact O-CG 3.3Å; Q18-R22 WeakPolarHBondContact O-CG 3.43Å; Q18-R22 PolarHBondContact O-N 3.3Å; Q18-Y47 PolarHBondContact NE2-OH 3.47Å; Q18-P214 HydrophobicContact CG-CB 4.16Å; Q18-L215 HydrophobicContact CG-CB 4.49Å
19T98Very high96.6Very high0 Ų027.7 Ų27.70%014%0.143CC..Hα-helixtrans-61.7-49.3169.9-62.40000110.7V8 I15 G16 L17 L21 R22 L23 V88 S218 A221 V222V8-T19 HydrophobicContact CG1-CG2 4.1Å; V8-T19 HydrophobicContact CG2-CG2 4.16Å; I15-T19 PolarHBondContact O-N 2.94Å; I15-T19 PolarHBondContact O-OG1 3.39Å; I15-T19 VanDerWaalsContact O-OG1 3.1Å; G16-T19 PolarHBondContact O-N 3.26Å; L17-T19 VanDerWaalsContact C-N 3.35Å; T19-L21 PolarHBondContact O-N 3.15Å; T19-R22 PolarHBondContact O-N 2.92Å; T19-L23 HydrophobicContact CG2-CD1 3.97Å; T19-L23 HydrophobicContact CG2-CG 4.49Å; T19-L23 VanDerWaalsContact O-CG 3.27Å; T19-L23 WeakPolarHBondContact O-CG 3.37Å; T19-L23 PolarHBondContact O-N 3.38Å; T19-V88 HydrophobicContact CG2-CG1 4.43Å; T19-V88 HydrophobicContact CG2-CG2 4.31Å; T19-S218 WeakPolarHBondContact OG1-CB 3.46Å; T19-A221 HydrophobicContact CG2-CB 3.92Å; T19-V222 HydrophobicContact CG2-CG2 4.35Å
20A98.5Very high96.6Very high0 Ų030.5 Ų30.50%015%0.154CC..Hα-helixtrans-60.4-44.9177.600000112.3V8 G16 L17 L23 S24 V31 I48V8-A20 HydrophobicContact CG2-CB 4.5Å; G16-A20 WeakPolarHBondContact O-CB 3.49Å; G16-A20 PolarHBondContact O-N 2.69Å; L17-A20 PolarHBondContact O-N 3.49Å; A20-L23 PolarHBondContact O-N 3.47Å; A20-S24 WeakPolarHBondContact O-CB 2.87Å; A20-S24 PolarHBondContact O-N 3.34Å; A20-S24 PolarHBondContact O-OG 2.85Å; A20-V31 HydrophobicContact CB-CG1 3.71Å; A20-I48 HydrophobicContact CB-CD1 3.81Å
21L98.2Very high96.6Very high4 Ų429.6 Ų29.62%0.02114%0.144CC..Hα-helixtrans-57.8-49.6175.317359.1000111.8L17 T19 L23 S24 R25 Y47 I48 E51L17-L21 WeakPolarHBondContact O-CB 3.35Å; L17-L21 PolarHBondContact O-N 3.29Å; T19-L21 PolarHBondContact O-N 3.15Å; L21-L23 PolarHBondContact O-N 3.48Å; L21-S24 WeakPolarHBondContact O-CB 3.28Å; L21-S24 PolarHBondContact O-N 3.37Å; L21-S24 VanDerWaalsContact O-N 3.12Å; L21-R25 PolarHBondContact O-N 2.74Å; L21-Y47 HydrophobicContact CD2-CE1 3.88Å; L21-I48 HydrophobicContact CB-CG1 4.14Å; L21-I48 HydrophobicContact CD1-CB 4.46Å; L21-I48 HydrophobicContact CD1-CG1 4.41Å; L21-I48 HydrophobicContact CD1-CG2 4.1Å; L21-E51 HydrophobicContact CD1-CB 3.66Å; L21-E51 HydrophobicContact CD1-CG 4.25Å
22R97.4Very high96.7Very high67 Ų6729.6 Ų29.625%0.25314%0.144SC..Hα-helixtrans-62.9-43.4-178.7-75.4-179.771.8100.5-2112.5Q18 T19 S24 R25 L215 S218 H219 V222Q18-R22 WeakPolarHBondContact O-CB 3.48Å; Q18-R22 VanDerWaalsContact O-CG 3.3Å; Q18-R22 WeakPolarHBondContact O-CG 3.43Å; Q18-R22 PolarHBondContact O-N 3.3Å; T19-R22 PolarHBondContact O-N 2.92Å; R22-S24 PolarHBondContact O-N 3.08Å; R22-R25 WeakPolarHBondContact O-CB 3.39Å; R22-R25 PolarHBondContact O-N 3.27Å; R22-L215 HydrophobicContact CG-CD1 4.26Å; R22-S218 WeakPolarHBondContact CD-OG 3.5Å; R22-H219 PolarHBondContact NH1-CD2 3.28Å; R22-H219 PolarHBondContact NH1-NE2 3.35Å; R22-V222 HydrophobicContact CB-CG2 3.68Å
23L97.9Very high96.8Very high0 Ų028.5 Ų28.50%014%0.138CC..Hα-helixtrans-61.8-32.4176.1-67.9172.3000111.7F6 V8 T19 A20 L21 R25 C26 H29 V31 V222 V225 E226F6-L23 HydrophobicContact CB-CD1 3.92Å; F6-L23 HydrophobicContact CD1-CD1 4.07Å; F6-L23 HydrophobicContact CD1-CD2 4.13Å; F6-L23 HydrophobicContact CE1-CD2 4.13Å; F6-L23 HydrophobicContact CG-CD1 3.99Å; F6-L23 HydrophobicContact CG-CD2 4.48Å; F6-L23 HydrophobicContact CZ-CD2 4.45Å; V8-L23 HydrophobicContact CG2-CD1 3.86Å; T19-L23 HydrophobicContact CG2-CD1 3.97Å; T19-L23 HydrophobicContact CG2-CG 4.49Å; T19-L23 VanDerWaalsContact O-CG 3.27Å; T19-L23 WeakPolarHBondContact O-CG 3.37Å; T19-L23 PolarHBondContact O-N 3.38Å; A20-L23 PolarHBondContact O-N 3.47Å; L21-L23 PolarHBondContact O-N 3.48Å; L23-R25 VanDerWaalsContact C-N 3.25Å; L23-R25 PolarHBondContact O-N 2.93Å; L23-C26 PolarHBondContact O-N 3.5Å; L23-H29 WeakPolarHBondContact O-CB 3.44Å; L23-H29 PolarHBondContact O-ND1 2.93Å; L23-V31 HydrophobicContact CB-CG2 3.62Å; L23-V222 HydrophobicContact CD2-CG1 4.21Å; L23-V222 HydrophobicContact CD2-CG2 4.19Å; L23-V222 HydrophobicContact CG-CG2 4.21Å; L23-V225 HydrophobicContact CD1-CG2 4.44Å; L23-V225 HydrophobicContact CD2-CG2 3.58Å; L23-E226 HydrophobicContact CD2-CG 3.95Å; L23-E226 WeakPolarHBondContact CD2-OE1 3.15Å
24S97.9Very high97Very high6 Ų626 Ų264%0.04212%0.124CC..Hα-helixtrans-72.7-12.6-179.4-58.20000114.3A20 L21 R22 C26 V31 L57A20-S24 WeakPolarHBondContact O-CB 2.87Å; A20-S24 PolarHBondContact O-N 3.34Å; A20-S24 PolarHBondContact O-OG 2.85Å; L21-S24 WeakPolarHBondContact O-CB 3.28Å; L21-S24 PolarHBondContact O-N 3.37Å; L21-S24 VanDerWaalsContact O-N 3.12Å; R22-S24 PolarHBondContact O-N 3.08Å; S24-C26 PolarHBondContact O-N 3.34Å; S24-V31 WeakPolarHBondContact OG-CG2 3.3Å; S24-L57 WeakPolarHBondContact OG-CD2 3.33Å
25R96.1Very high97.2Very high147 Ų14725.6 Ų25.656%0.55512%0.12SC*.THydrogen-bonded Turntrans-69.6-17.1176.4-68.7178.9173.4177.9-2.7113.3L21 R22 L23L21-R25 PolarHBondContact O-N 2.74Å; R22-R25 WeakPolarHBondContact O-CB 3.39Å; R22-R25 PolarHBondContact O-N 3.27Å; L23-R25 VanDerWaalsContact C-N 3.25Å; L23-R25 PolarHBondContact O-N 2.93Å
26C95.4Very high97.2Very high26 Ų2631.6 Ų31.618%0.17614%0.142CC..SBendtrans-94.3119.5175.8-178.20000110.1L23 S24 Q28 H29L23-C26 PolarHBondContact O-N 3.5Å; S24-C26 PolarHBondContact O-N 3.34Å; C26-Q28 PolarHBondContact O-N 3.44Å; C26-H29 HydrophobicContact CB-CB 4.28Å; C26-H29 VanDerWaalsContact CB-CE1 3.48Å; C26-H29 WeakPolarHBondContact CB-CE1 3.39Å; C26-H29 VanDerWaalsContact CB-ND1 3.33Å; C26-H29 WeakPolarHBondContact CB-ND1 3.46Å; C26-H29 WeakPolarHBondContact O-CB 3.11Å; C26-H29 PolarHBondContact O-N 3.43Å; C26-H29 PolarHBondContact SG-NE2 2.92Å
27P93.7Very high97.2Very high81 Ų8133.4 Ų33.453%0.52615%0.154SC..THydrogen-bonded Turntrans-64.8-15-176.2-22.132.4000115.2H29 K56P27-H29 VanDerWaalsContact C-N 3.34Å; P27-K56 PolarHBondContact O-NZ 3.13Å
28Q94.3Very high97.1Very high65 Ų6536.1 Ų36.130%0.30417%0.168SC..THydrogen-bonded Turntrans-86.8-6.6175.8-64.985.969.500112.8E3 K4 C26E3-Q28 WeakPolarHBondContact CA-O 3.46Å; K4-Q28 PolarHBondContact N-O 3.17Å; K4-Q28 VanDerWaalsContact N-O 3.15Å; C26-Q28 PolarHBondContact O-N 3.44Å
29H97.5Very high97.2Very high9 Ų941.9 Ų41.94%0.04220%0.195CC..EExtended strand (participates in β ladder)trans-91.5136.6-178.5-64.3178.1000110.5K4 F6 L23 C26 P27 E226K4-H29 CarbonylContact O-C 3.54Å; K4-H29 WeakPolarHBondContact O-CA 3.4Å; F6-H29 HydrophobicContact CD2-CB 4.09Å; F6-H29 HydrophobicContact CE2-CB 3.68Å; F6-H29 AromaticContact CE2-CD2 3.57Å; F6-H29 AromaticContact CE2-CE1 3.95Å; F6-H29 AromaticContact CE2-CG 3.32Å; F6-H29 AromaticContact CE2-ND1 3.55Å; F6-H29 AromaticContact CE2-NE2 3.98Å; F6-H29 AromaticContact CZ-CE1 3.84Å; F6-H29 AromaticContact CZ-ND1 3.86Å; F6-H29 AromaticContact CZ-NE2 3.94Å; L23-H29 WeakPolarHBondContact O-CB 3.44Å; L23-H29 PolarHBondContact O-ND1 2.93Å; C26-H29 HydrophobicContact CB-CB 4.28Å; C26-H29 VanDerWaalsContact CB-CE1 3.48Å; C26-H29 WeakPolarHBondContact CB-CE1 3.39Å; C26-H29 VanDerWaalsContact CB-ND1 3.33Å; C26-H29 WeakPolarHBondContact CB-ND1 3.46Å; C26-H29 WeakPolarHBondContact O-CB 3.11Å; C26-H29 PolarHBondContact O-N 3.43Å; C26-H29 PolarHBondContact SG-NE2 2.92Å; P27-H29 VanDerWaalsContact C-N 3.34Å; H29-E226 IonicContact CE1-OE1 2.94Å; H29-E226 PolarHBondContact CE1-OE1 3.01Å; H29-E226 IonicContact ND1-OE1 2.73Å; H29-E226 PolarHBondContact ND1-OE1 2.94Å
30R98.1Very high97.1Very high60 Ų6046.7 Ų46.723%0.22621%0.213CC..EExtended strand (participates in β ladder)trans-103.4128.1160.1-178.8-172.5-63.6136.94108.3K4 S5 F6 K56 D83K4-R30 PolarHBondContact O-N 3.14Å; S5-R30 WeakPolarHBondContact CA-O 3.25Å; S5-R30 PolarHBondContact OG-NH1 2.74Å; F6-R30 PolarHBondContact N-O 3.32Å; R30-K56 CarbonylContact C-O 3.57Å; R30-K56 VanDerWaalsContact CA-O 3.27Å; R30-K56 WeakPolarHBondContact CA-O 3.33Å; R30-K56 HydrophobicContact CB-CB 4.26Å; R30-K56 HydrophobicContact CG-CB 4.42Å; R30-D83 IonicContact CZ-OD2 3.69Å; R30-D83 IonicContact NH1-OD1 3.02Å; R30-D83 PolarHBondContact NH1-OD1 3.46Å; R30-D83 IonicContact NH1-OD2 3.83Å; R30-D83 PolarHBondContact NH1-OD2 3.06Å
31V98.7Very high97.1Very high0 Ų046.7 Ų46.70%021%0.213CC..EExtended strand (participates in β ladder)trans-113.1121.8178.5-1790000109.7V8 A20 L23 S24 K56 L57 D58V8-V31 HydrophobicContact CG2-CG1 4.4Å; A20-V31 HydrophobicContact CB-CG1 3.71Å; L23-V31 HydrophobicContact CB-CG2 3.62Å; S24-V31 WeakPolarHBondContact OG-CG2 3.3Å; V31-K56 PolarHBondContact N-O 2.89Å; V31-L57 HydrophobicContact CB-CD2 3.85Å; V31-L57 HydrophobicContact CG1-CD2 4.5Å; V31-L57 WeakPolarHBondContact O-CA 3.37Å; V31-D58 PolarHBondContact O-N 2.93Å
32I98.8Very high97.1Very high0 Ų050.5 Ų50.50%023%0.231CC..EExtended strand (participates in β ladder)trans-97.8106.3178.2-54.2153.3000107.7F6 L7 V8 D58 V60 F81 L84F6-I32 PolarHBondContact O-N 3.41Å; L7-I32 HydrophobicContact CD1-CB 4.06Å; L7-I32 HydrophobicContact CD1-CG2 3.79Å; V8-I32 PolarHBondContact N-O 3.08Å; V8-I32 VanDerWaalsContact N-O 3.16Å; I32-D58 CarbonylContact C-O 3.6Å; I32-D58 WeakPolarHBondContact CA-O 3.38Å; I32-D58 HydrophobicContact CG1-CB 4.35Å; I32-V60 HydrophobicContact CG2-CG1 4.07Å; I32-V60 HydrophobicContact CG2-CG2 4.05Å; I32-F81 HydrophobicContact CD1-CB 3.78Å; I32-F81 HydrophobicContact CD1-CD1 3.87Å; I32-F81 HydrophobicContact CD1-CD2 3.48Å; I32-F81 VanDerWaalsContact CD1-CD2 3.48Å; I32-F81 HydrophobicContact CD1-CE1 4.34Å; I32-F81 HydrophobicContact CD1-CE2 4.01Å; I32-F81 HydrophobicContact CD1-CG 3.4Å; I32-F81 VanDerWaalsContact CD1-CG 3.4Å; I32-F81 HydrophobicContact CD1-CZ 4.4Å; I32-F81 HydrophobicContact CG1-CD1 4.07Å; I32-F81 HydrophobicContact CG1-CD2 4.06Å; I32-F81 HydrophobicContact CG1-CE1 4.09Å; I32-F81 HydrophobicContact CG1-CE2 4.09Å; I32-F81 HydrophobicContact CG1-CG 4.06Å; I32-F81 HydrophobicContact CG1-CZ 4.09Å; I32-F81 HydrophobicContact CG2-CD2 4.36Å; I32-F81 HydrophobicContact CG2-CE2 3.84Å; I32-F81 HydrophobicContact CG2-CZ 4.15Å; I32-L84 HydrophobicContact CD1-CD1 3.98Å
33V98.8Very high97.2Very high0 Ų054.6 Ų54.60%025%0.251CS..EExtended strand (participates in β ladder)trans-75.9130.1176.5176.20000109.3S11 T12 C41 A44 M45 I48 D58 Y59 V60S11-V33 WeakPolarHBondContact OG-CA 3.31Å; T12-V33 HydrophobicContact CG2-CG1 4.25Å; V33-C41 HydrophobicContact CG1-CB 4.49Å; V33-A44 HydrophobicContact CG1-CB 4.17Å; V33-M45 HydrophobicContact CB-CG 4.43Å; V33-M45 HydrophobicContact CG2-CG 4.1Å; V33-I48 HydrophobicContact CG2-CD1 4.24Å; V33-D58 PolarHBondContact N-O 3.45Å; V33-Y59 CarbonylContact O-C 3.56Å; V33-Y59 WeakPolarHBondContact O-CA 3.06Å; V33-Y59 WeakPolarHBondContact O-CB 3.26Å; V33-V60 PolarHBondContact O-N 3Å
34H98.7Very high97.2Very high3 Ų354.8 Ų54.81%0.01425%0.252CS..EExtended strand (participates in β ladder)trans-119.2134175.4160.7-103.6000111.2L7 V8 T9 G10 S11 V60 Y62 F64 M73L7-H34 HydrophobicContact CD1-CB 4.08Å; V8-H34 PolarHBondContact O-N 3.29Å; T9-H34 WeakPolarHBondContact CA-ND1 3.32Å; T9-H34 WeakPolarHBondContact CB-ND1 3.47Å; G10-H34 CarbonylContact C-O 3.56Å; G10-H34 WeakPolarHBondContact CA-O 3.35Å; G10-H34 PolarHBondContact N-ND1 2.95Å; G10-H34 VanDerWaalsContact N-ND1 3.1Å; G10-H34 PolarHBondContact N-O 3.1Å; G10-H34 VanDerWaalsContact N-O 3.07Å; S11-H34 PolarHBondContact N-O 3.4Å; S11-H34 PolarHBondContact OG-N 2.87Å; H34-V60 WeakPolarHBondContact CA-O 3.4Å; H34-V60 HydrophobicContact CB-CG2 3.89Å; H34-Y62 PolarHBondContact NE2-O 3.21Å; H34-F64 AromaticContact CE1-CD1 3.52Å; H34-F64 AromaticContact CE1-CE1 3.13Å; H34-F64 WeakPolarHBondContact CE1-CE1 3.16Å; H34-F64 AromaticContact CE1-CE2 3.91Å; H34-F64 AromaticContact CE1-CZ 3.35Å; H34-F64 WeakPolarHBondContact CE1-CZ 3.14Å; H34-F64 AromaticContact ND1-CZ 3.89Å; H34-F64 AromaticContact NE2-CD1 3.6Å; H34-F64 AromaticContact NE2-CE1 3.24Å; H34-F64 WeakPolarHBondContact NE2-CE1 3.38Å; H34-F64 AromaticContact NE2-CZ 3.89Å; H34-M73 HydrophobicContact CB-CE 4.34Å
35G97.7Very high97.2Very high3 Ų355.6 Ų55.63%0.03126%0.255CS..EExtended strand (participates in β ladder)trans-159.6178.1173.400000111.8C41 V60 V61 Y62G35-C41 PolarHBondContact N-SG 3.37Å; G35-C41 VanDerWaalsContact N-SG 3.42Å; G35-V60 PolarHBondContact N-O 3.15Å; G35-V61 WeakPolarHBondContact O-CA 3.41Å; G35-Y62 PolarHBondContact O-N 2.89Å
36R94.3Very high97.3Very high142 Ų14252.9 Ų52.954%0.53625%0.252SS..SBendtrans-90.8-7-173.7-52.5-173.2-81179.3-2.1114.3D63R36-D63 HydrophobicContact CB-CB 4.35Å; R36-D63 WeakPolarHBondContact CD-OD1 3.47Å; R36-D63 HydrophobicContact CG-CB 4.38Å
37S95.3Very high97.4Very high38 Ų3855.5 Ų55.527%0.26626%0.259SS..SBendtrans-144.8137.7-176.763.90000110.2E39 R40 C41S37-E39 VanDerWaalsContact C-N 3.32Å; S37-E39 PolarHBondContact O-N 3.46Å; S37-R40 PolarHBondContact O-N 3.24Å; S37-R40 WeakPolarHBondContact OG-CB 3.27Å; S37-R40 WeakPolarHBondContact OG-CD 3.43Å; S37-R40 WeakPolarHBondContact OG-CG 3.33Å; S37-R40 PolarHBondContact OG-N 2.99Å; S37-C41 PolarHBondContact O-N 3.08Å; S37-C41 VanDerWaalsContact O-N 3.17Å
38L97.6Very high97.7Very high78 Ų7851.6 Ų51.641%0.40823%0.234SC..Hα-helixtrans-55-46.6177.9178.960.3000112.3R40 C41 Q42 Y59 V61L38-R40 PolarHBondContact O-N 2.93Å; L38-C41 WeakPolarHBondContact O-CB 3.36Å; L38-C41 PolarHBondContact O-N 3.05Å; L38-C41 VanDerWaalsContact O-N 3.1Å; L38-Q42 HydrophobicContact CD1-CG 4.09Å; L38-Q42 HydrophobicContact CG-CG 4.37Å; L38-Q42 WeakPolarHBondContact O-CG 3.44Å; L38-Q42 PolarHBondContact O-N 2.73Å; L38-Y59 HydrophobicContact CD1-CD2 4.31Å; L38-Y59 HydrophobicContact CD1-CE2 3.49Å; L38-Y59 VanDerWaalsContact CD1-CE2 3.49Å; L38-V61 HydrophobicContact CB-CG2 4.35Å; L38-V61 HydrophobicContact CD1-CG2 4.31Å
39E97.9Very high97.8Very high150 Ų15051.6 Ų51.670%0.70124%0.235SC*.Hα-helixtrans-55-48-179.9-174.4-164.8156.500112.2S37 C41 Q42 K43S37-E39 VanDerWaalsContact C-N 3.32Å; S37-E39 PolarHBondContact O-N 3.46Å; E39-C41 VanDerWaalsContact C-N 3.34Å; E39-C41 PolarHBondContact O-N 3.04Å; E39-Q42 PolarHBondContact O-N 3.22Å; E39-K43 WeakPolarHBondContact O-CB 3.26Å; E39-K43 PolarHBondContact O-N 3.11Å
40R97.1Very high97.9Very high101 Ų10158.3 Ų58.338%0.38127%0.267SS..Hα-helixtrans-67.3-34.3178.9-64.9174.963.887.19.3112.8T12 D13 S37 L38 A44T12-R40 HydrophobicContact CG2-CB 3.96Å; T12-R40 PolarHBondContact OG1-NE 2.65Å; T12-R40 PolarHBondContact OG1-NH2 3.23Å; D13-R40 IonicContact OD2-NH2 2.65Å; S37-R40 PolarHBondContact O-N 3.24Å; S37-R40 WeakPolarHBondContact OG-CB 3.27Å; S37-R40 WeakPolarHBondContact OG-CD 3.43Å; S37-R40 WeakPolarHBondContact OG-CG 3.33Å; S37-R40 PolarHBondContact OG-N 2.99Å; L38-R40 PolarHBondContact O-N 2.93Å; R40-A44 VanDerWaalsContact O-CB 3.29Å; R40-A44 WeakPolarHBondContact O-CB 3.46Å; R40-A44 PolarHBondContact O-N 2.93Å; R40-A44 VanDerWaalsContact O-N 3.07Å
41C98.4Very high97.8Very high0 Ų060.9 Ų60.90%028%0.281CS..Hα-helixtrans-66.4-45.8174.3-72.70000110.7V33 G35 S37 L38 E39 A44 M45 Y59 V61V33-C41 HydrophobicContact CG1-CB 4.49Å; G35-C41 PolarHBondContact N-SG 3.37Å; G35-C41 VanDerWaalsContact N-SG 3.42Å; S37-C41 PolarHBondContact O-N 3.08Å; S37-C41 VanDerWaalsContact O-N 3.17Å; L38-C41 WeakPolarHBondContact O-CB 3.36Å; L38-C41 PolarHBondContact O-N 3.05Å; L38-C41 VanDerWaalsContact O-N 3.1Å; E39-C41 VanDerWaalsContact C-N 3.34Å; E39-C41 PolarHBondContact O-N 3.04Å; C41-A44 PolarHBondContact O-N 2.99Å; C41-M45 WeakPolarHBondContact O-CG 3.42Å; C41-M45 PolarHBondContact O-N 3.29Å; C41-Y59 HydrophobicContact CB-CG 4.42Å; C41-V61 HydrophobicContact CB-CG2 4.39Å
42Q98.2Very high97.7Very high84 Ų8461.6 Ų61.639%0.39329%0.286SS..Hα-helixtrans-59.2-51.6175.7-73.5173-29.200111.3L38 E39 A44 M45 D46L38-Q42 HydrophobicContact CD1-CG 4.09Å; L38-Q42 HydrophobicContact CG-CG 4.37Å; L38-Q42 WeakPolarHBondContact O-CG 3.44Å; L38-Q42 PolarHBondContact O-N 2.73Å; E39-Q42 PolarHBondContact O-N 3.22Å; Q42-A44 PolarHBondContact O-N 3.48Å; Q42-M45 HydrophobicContact CG-CE 4.2Å; Q42-M45 WeakPolarHBondContact O-CB 3.41Å; Q42-M45 PolarHBondContact O-N 2.54Å; Q42-D46 VanDerWaalsContact O-CG 3.26Å; Q42-D46 PolarHBondContact O-N 2.61Å
43K98.2Very high97.6Very high154 Ų15466.1 Ų66.167%0.6732%0.316SS*.Hα-helixtrans-57.3-37.3177.4-175172.4-176.8169.60113.4E39 Y47E39-K43 WeakPolarHBondContact O-CB 3.26Å; E39-K43 PolarHBondContact O-N 3.11Å; K43-Y47 WeakPolarHBondContact O-CB 3.41Å; K43-Y47 PolarHBondContact O-N 2.95Å; K43-Y47 VanDerWaalsContact O-N 3.13Å
44A98.3Very high97.5Very high3 Ų373.1 Ų73.13%0.02535%0.353CS..Hα-helixtrans-68.9-40.3176.100000112.1T12 L17 V33 R40 C41 Q42 I48T12-A44 HydrophobicContact CG2-CB 4.45Å; L17-A44 HydrophobicContact CD1-CB 3.83Å; V33-A44 HydrophobicContact CG1-CB 4.17Å; R40-A44 VanDerWaalsContact O-CB 3.29Å; R40-A44 WeakPolarHBondContact O-CB 3.46Å; R40-A44 PolarHBondContact O-N 2.93Å; R40-A44 VanDerWaalsContact O-N 3.07Å; C41-A44 PolarHBondContact O-N 2.99Å; Q42-A44 PolarHBondContact O-N 3.48Å; A44-I48 VanDerWaalsContact O-CG1 3.27Å; A44-I48 WeakPolarHBondContact O-CG1 3.34Å; A44-I48 PolarHBondContact O-N 3.45Å; A44-I48 VanDerWaalsContact O-N 3.1Å
45M98.6Very high97.4Very high23 Ų2373.7 Ų73.711%0.11336%0.358CS..Hα-helixtrans-66.6-43.1174.7-68.6-174.5-57.200111.9V33 C41 Q42 Y47 I48 L49 L57 Y59V33-M45 HydrophobicContact CB-CG 4.43Å; V33-M45 HydrophobicContact CG2-CG 4.1Å; C41-M45 WeakPolarHBondContact O-CG 3.42Å; C41-M45 PolarHBondContact O-N 3.29Å; Q42-M45 HydrophobicContact CG-CE 4.2Å; Q42-M45 WeakPolarHBondContact O-CB 3.41Å; Q42-M45 PolarHBondContact O-N 2.54Å; M45-Y47 VanDerWaalsContact C-N 3.33Å; M45-Y47 PolarHBondContact O-N 3.04Å; M45-I48 PolarHBondContact O-N 2.88Å; M45-I48 VanDerWaalsContact O-N 3.09Å; M45-L49 WeakPolarHBondContact O-CB 3.45Å; M45-L49 WeakPolarHBondContact O-CG 3.38Å; M45-L49 PolarHBondContact O-N 3.01Å; M45-L57 HydrophobicContact CB-CD1 3.93Å; M45-L57 HydrophobicContact CG-CB 4.28Å; M45-L57 HydrophobicContact CG-CD1 4.09Å; M45-L57 HydrophobicContact SD-CB 4.25Å; M45-Y59 HydrophobicContact CE-CD1 3.32Å; M45-Y59 HydrophobicContact CE-CE1 3.8Å; M45-Y59 HydrophobicContact CE-CG 4.13Å; M45-Y59 HydrophobicContact SD-CD1 3.58Å; M45-Y59 VanDerWaalsContact SD-CD1 3.58Å; M45-Y59 HydrophobicContact SD-CG 4.25Å
46D98.4Very high97.4Very high91 Ų9177.3 Ų77.349%0.48737%0.373SS..Hα-helixtrans-57.3-47.9176.7-63.8-23.3000110.4Q42 I48 L49 E50Q42-D46 VanDerWaalsContact O-CG 3.26Å; Q42-D46 PolarHBondContact O-N 2.61Å; D46-I48 VanDerWaalsContact C-N 3.31Å; D46-I48 PolarHBondContact O-N 2.94Å; D46-L49 PolarHBondContact O-N 2.78Å; D46-E50 WeakPolarHBondContact O-CG 3.33Å; D46-E50 PolarHBondContact O-N 2.88Å
47Y98Very high97.6Very high80 Ų8072 Ų7231%0.31436%0.355SS..Hα-helixtrans-57.8-40.8174.7172.2-98.8000113L17 Q18 L21 K43 M45L17-Y47 HydrophobicContact CD1-CD1 3.89Å; L17-Y47 HydrophobicContact CD1-CE1 4.4Å; L17-Y47 HydrophobicContact CD2-CD1 3.88Å; L17-Y47 HydrophobicContact CD2-CE1 4.02Å; L17-Y47 HydrophobicContact CG-CD1 4Å; L17-Y47 HydrophobicContact CG-CE1 4.07Å; Q18-Y47 PolarHBondContact NE2-OH 3.47Å; L21-Y47 HydrophobicContact CD2-CE1 3.88Å; K43-Y47 WeakPolarHBondContact O-CB 3.41Å; K43-Y47 PolarHBondContact O-N 2.95Å; K43-Y47 VanDerWaalsContact O-N 3.13Å; M45-Y47 VanDerWaalsContact C-N 3.33Å; M45-Y47 PolarHBondContact O-N 3.04Å
48I98.3Very high97.7Very high0 Ų072.5 Ų72.50%036%0.355CS..Hα-helixtrans-70.2-39.7177.8-65.5164.3000110.9L17 A20 L21 V33 A44 M45 D46 E51 C52 A55 L57L17-I48 HydrophobicContact CD1-CD1 4.11Å; L17-I48 HydrophobicContact CD1-CG1 4.15Å; A20-I48 HydrophobicContact CB-CD1 3.81Å; L21-I48 HydrophobicContact CB-CG1 4.14Å; L21-I48 HydrophobicContact CD1-CB 4.46Å; L21-I48 HydrophobicContact CD1-CG1 4.41Å; L21-I48 HydrophobicContact CD1-CG2 4.1Å; V33-I48 HydrophobicContact CG2-CD1 4.24Å; A44-I48 VanDerWaalsContact O-CG1 3.27Å; A44-I48 WeakPolarHBondContact O-CG1 3.34Å; A44-I48 PolarHBondContact O-N 3.45Å; A44-I48 VanDerWaalsContact O-N 3.1Å; M45-I48 PolarHBondContact O-N 2.88Å; M45-I48 VanDerWaalsContact O-N 3.09Å; D46-I48 VanDerWaalsContact C-N 3.31Å; D46-I48 PolarHBondContact O-N 2.94Å; I48-E51 PolarHBondContact O-N 3.46Å; I48-C52 WeakPolarHBondContact O-CA 3.11Å; I48-C52 WeakPolarHBondContact O-CB 3.12Å; I48-C52 PolarHBondContact O-N 2.91Å; I48-A55 HydrophobicContact CG2-CB 4.39Å; I48-L57 HydrophobicContact CB-CD1 3.73Å; I48-L57 HydrophobicContact CD1-CD1 4.38Å; I48-L57 HydrophobicContact CD1-CD2 4.49Å; I48-L57 HydrophobicContact CG2-CD1 3.69Å; I48-L57 HydrophobicContact CG2-CD2 4.07Å; I48-L57 HydrophobicContact CG2-CG 4.38Å
49L98.1Very high97.8Very high64 Ų6472.4 Ų72.434%0.33535%0.35SS..Hα-helixtrans-70.3-30.1-179.8-71.9168.2000112.6M45 D46 E51 C52 P53 A55 L57M45-L49 WeakPolarHBondContact O-CB 3.45Å; M45-L49 WeakPolarHBondContact O-CG 3.38Å; M45-L49 PolarHBondContact O-N 3.01Å; D46-L49 PolarHBondContact O-N 2.78Å; L49-E51 VanDerWaalsContact C-N 3.28Å; L49-E51 PolarHBondContact O-N 2.88Å; L49-C52 CarbonylContact O-C 3.52Å; L49-P53 VanDerWaalsContact O-CA 3.22Å; L49-P53 WeakPolarHBondContact O-CA 3.05Å; L49-A55 HydrophobicContact CD2-CB 4.27Å; L49-L57 HydrophobicContact CD1-CD1 4.41Å; L49-L57 HydrophobicContact CD2-CD1 4.12Å; L49-L57 HydrophobicContact CG-CD1 3.81Å
50E97.8Very high97.8Very high150 Ų15065.3 Ų65.370%0.70132%0.316SS*.Hα-helixtrans-59.7-40.5170.5-76175.1-179.300111.5D46D46-E50 WeakPolarHBondContact O-CG 3.33Å; D46-E50 PolarHBondContact O-N 2.88Å
51E96.3Very high97.9Very high114 Ų11462.6 Ų62.653%0.53331%0.311SS..Hα-helixtrans-87.2-27.9-179.6-66.3-69.5140.600113.4L21 I48 L49L21-E51 HydrophobicContact CD1-CB 3.66Å; L21-E51 HydrophobicContact CD1-CG 4.25Å; I48-E51 PolarHBondContact O-N 3.46Å; L49-E51 VanDerWaalsContact C-N 3.28Å; L49-E51 PolarHBondContact O-N 2.88Å
52C97.1Very high97.9Very high16 Ų1664.4 Ų64.411%0.10832%0.318CS..  trans-137.977.8-176-640000109.8I48 L49 D54 A55I48-C52 WeakPolarHBondContact O-CA 3.11Å; I48-C52 WeakPolarHBondContact O-CB 3.12Å; I48-C52 PolarHBondContact O-N 2.91Å; L49-C52 CarbonylContact O-C 3.52Å; C52-D54 PolarHBondContact O-N 3.17Å; C52-D54 VanDerWaalsContact O-N 3.13Å; C52-A55 HydrophobicContact CB-CB 3.9Å; C52-A55 WeakPolarHBondContact O-CB 3.47Å; C52-A55 PolarHBondContact O-N 2.97Å
53P96.8Very high97.9Very high95 Ų9562.2 Ų62.262%0.61731%0.309SS*.THydrogen-bonded Turntrans-58.9-30-171.8-28.536.6000115.4L49L49-P53 VanDerWaalsContact O-CA 3.22Å; L49-P53 WeakPolarHBondContact O-CA 3.05Å
54D95.7Very high97.9Very high147 Ų14755 Ų5579%0.78628%0.278SS*.THydrogen-bonded Turntrans-94.110.2-179.6-58.8-49.7000113.2C52 K56C52-D54 PolarHBondContact O-N 3.17Å; C52-D54 VanDerWaalsContact O-N 3.13Å; D54-K56 PolarHBondContact O-N 3.15Å
55A97.3Very high97.9Very high14 Ų1455.1 Ų55.112%0.11628%0.279CS..  trans-64.3133.2-179.100000111.9I48 L49 C52 L57I48-A55 HydrophobicContact CG2-CB 4.39Å; L49-A55 HydrophobicContact CD2-CB 4.27Å; C52-A55 HydrophobicContact CB-CB 3.9Å; C52-A55 WeakPolarHBondContact O-CB 3.47Å; C52-A55 PolarHBondContact O-N 2.97Å; A55-L57 HydrophobicContact CB-CD2 4.27Å; A55-L57 HydrophobicContact CB-CG 4.05Å; A55-L57 PolarHBondContact O-N 2.99Å
56K97.8Very high97.9Very high79 Ų7958.5 Ų58.534%0.34329%0.293SS..EExtended strand (participates in β ladder)trans-83.895.6172.1-62.8171.8-179.9168.60108.9E3 P27 R30 V31 D54E3-K56 IonicContact OE1-NZ 2.94Å; E3-K56 PolarHBondContact OE1-NZ 3.17Å; P27-K56 PolarHBondContact O-NZ 3.13Å; R30-K56 CarbonylContact C-O 3.57Å; R30-K56 VanDerWaalsContact CA-O 3.27Å; R30-K56 WeakPolarHBondContact CA-O 3.33Å; R30-K56 HydrophobicContact CB-CB 4.26Å; R30-K56 HydrophobicContact CG-CB 4.42Å; V31-K56 PolarHBondContact N-O 2.89Å; D54-K56 PolarHBondContact O-N 3.15Å
57L98.1Very high97.9Very high30 Ų3054.2 Ų54.216%0.15727%0.27CS..EExtended strand (participates in β ladder)trans-107.1143.5180-60.3-177.4000112S24 V31 M45 I48 L49 A55S24-L57 WeakPolarHBondContact OG-CD2 3.33Å; V31-L57 HydrophobicContact CB-CD2 3.85Å; V31-L57 HydrophobicContact CG1-CD2 4.5Å; V31-L57 WeakPolarHBondContact O-CA 3.37Å; M45-L57 HydrophobicContact CB-CD1 3.93Å; M45-L57 HydrophobicContact CG-CB 4.28Å; M45-L57 HydrophobicContact CG-CD1 4.09Å; M45-L57 HydrophobicContact SD-CB 4.25Å; I48-L57 HydrophobicContact CB-CD1 3.73Å; I48-L57 HydrophobicContact CD1-CD1 4.38Å; I48-L57 HydrophobicContact CD1-CD2 4.49Å; I48-L57 HydrophobicContact CG2-CD1 3.69Å; I48-L57 HydrophobicContact CG2-CD2 4.07Å; I48-L57 HydrophobicContact CG2-CG 4.38Å; L49-L57 HydrophobicContact CD1-CD1 4.41Å; L49-L57 HydrophobicContact CD2-CD1 4.12Å; L49-L57 HydrophobicContact CG-CD1 3.81Å; A55-L57 HydrophobicContact CB-CD2 4.27Å; A55-L57 HydrophobicContact CB-CG 4.05Å; A55-L57 PolarHBondContact O-N 2.99Å
58D98.1Very high97.9Very high49 Ų4953.5 Ų53.526%0.26228%0.281SS..EExtended strand (participates in β ladder)trans-139.4172.7169.3-106-70000108.6V31 I32 V33 R80 F81V31-D58 PolarHBondContact O-N 2.93Å; I32-D58 CarbonylContact C-O 3.6Å; I32-D58 WeakPolarHBondContact CA-O 3.38Å; I32-D58 HydrophobicContact CG1-CB 4.35Å; V33-D58 PolarHBondContact N-O 3.45Å; D58-R80 IonicContact OD1-CZ 2.79Å; D58-R80 IonicContact OD1-NH2 3.72Å; D58-R80 PolarHBondContact OD1-NH2 3.25Å; D58-F81 HydrophobicContact CB-CE1 3.57Å; D58-F81 HydrophobicContact CB-CZ 3.66Å; D58-F81 VanDerWaalsContact CG-CE1 3.47Å
59Y98.4Very high97.9Very high77 Ų7755 Ų5530%0.30229%0.289SS..EExtended strand (participates in β ladder)trans-146.5158.8176.667-90.3000113.3V33 L38 C41 M45 V61 R80V33-Y59 CarbonylContact O-C 3.56Å; V33-Y59 WeakPolarHBondContact O-CA 3.06Å; V33-Y59 WeakPolarHBondContact O-CB 3.26Å; L38-Y59 HydrophobicContact CD1-CD2 4.31Å; L38-Y59 HydrophobicContact CD1-CE2 3.49Å; L38-Y59 VanDerWaalsContact CD1-CE2 3.49Å; C41-Y59 HydrophobicContact CB-CG 4.42Å; M45-Y59 HydrophobicContact CE-CD1 3.32Å; M45-Y59 HydrophobicContact CE-CE1 3.8Å; M45-Y59 HydrophobicContact CE-CG 4.13Å; M45-Y59 HydrophobicContact SD-CD1 3.58Å; M45-Y59 VanDerWaalsContact SD-CD1 3.58Å; M45-Y59 HydrophobicContact SD-CG 4.25Å; Y59-V61 HydrophobicContact CD2-CG2 3.75Å; Y59-V61 HydrophobicContact CE2-CG2 4.01Å; Y59-R80 PolarHBondContact O-NH1 2.99Å; Y59-R80 PolarHBondContact O-NH2 3.02Å
60V98.7Very high97.9Very high0 Ų052 Ų520%027%0.273CS..EExtended strand (participates in β ladder)trans-133.7134.3168.5-65.20000109.1L7 I32 V33 H34 G35 Y62 M73 I77 F81L7-V60 HydrophobicContact CD1-CG2 4.05Å; I32-V60 HydrophobicContact CG2-CG1 4.07Å; I32-V60 HydrophobicContact CG2-CG2 4.05Å; V33-V60 PolarHBondContact O-N 3Å; H34-V60 WeakPolarHBondContact CA-O 3.4Å; H34-V60 HydrophobicContact CB-CG2 3.89Å; G35-V60 PolarHBondContact N-O 3.15Å; V60-Y62 HydrophobicContact CB-CD2 4.19Å; V60-Y62 HydrophobicContact CB-CE2 4.32Å; V60-M73 HydrophobicContact CG2-CE 3.75Å; V60-M73 HydrophobicContact CG2-CG 4.48Å; V60-I77 HydrophobicContact CG1-CG1 4.19Å; V60-F81 HydrophobicContact CG1-CE2 3.77Å
61V98.6Very high98Very high45 Ų4547 Ų4727%0.27325%0.254SS..EExtended strand (participates in β ladder)trans-114.8101-174-179.30000110.1G35 L38 C41 Y59G35-V61 WeakPolarHBondContact O-CA 3.41Å; L38-V61 HydrophobicContact CB-CG2 4.35Å; L38-V61 HydrophobicContact CD1-CG2 4.31Å; C41-V61 HydrophobicContact CB-CG2 4.39Å; Y59-V61 HydrophobicContact CD2-CG2 3.75Å; Y59-V61 HydrophobicContact CE2-CG2 4.01Å
62Y98.6Very high98.1Very high37 Ų3746.2 Ų46.215%0.14525%0.253CS..  trans-143.6139.4-179.7-71.1-82.1000110.9H34 G35 V60 N69 L72 M73 E76H34-Y62 PolarHBondContact NE2-O 3.21Å; G35-Y62 PolarHBondContact O-N 2.89Å; V60-Y62 HydrophobicContact CB-CD2 4.19Å; V60-Y62 HydrophobicContact CB-CE2 4.32Å; Y62-N69 HydrophobicContact CD1-CB 3.72Å; Y62-N69 HydrophobicContact CG-CB 4.4Å; Y62-L72 HydrophobicContact CE1-CB 3.65Å; Y62-M73 HydrophobicContact CD1-CB 4.11Å; Y62-M73 HydrophobicContact CD2-CB 3.46Å; Y62-M73 VanDerWaalsContact CD2-CB 3.46Å; Y62-M73 HydrophobicContact CD2-CG 3.54Å; Y62-M73 HydrophobicContact CD2-SD 4.09Å; Y62-M73 HydrophobicContact CE1-CB 4.34Å; Y62-M73 HydrophobicContact CE2-CB 3.76Å; Y62-M73 HydrophobicContact CE2-CG 4.04Å; Y62-M73 HydrophobicContact CG-CB 3.65Å; Y62-M73 HydrophobicContact CG-CG 4.07Å; Y62-M73 HydrophobicContact CG-SD 4.28Å; Y62-E76 WeakPolarHBondContact CE2-OE2 3.45Å; Y62-E76 VanDerWaalsContact CZ-OE2 3.24Å; Y62-E76 PolarHBondContact OH-OE2 3.07Å
63D98.4Very high98.2Very high38 Ų3845.5 Ų45.520%0.20325%0.248CC..  trans-90.1117.2175.9-170.5-0.8000110.5R36 A65 K66 N69R36-D63 HydrophobicContact CB-CB 4.35Å; R36-D63 WeakPolarHBondContact CD-OD1 3.47Å; R36-D63 HydrophobicContact CG-CB 4.38Å; D63-A65 PolarHBondContact O-N 3.23Å; D63-A65 WeakPolarHBondContact OD1-CB 3.41Å; D63-A65 PolarHBondContact OD1-N 2.87Å; D63-K66 HydrophobicContact CB-CD 4.46Å; D63-K66 HydrophobicContact CB-CG 4.38Å; D63-K66 PolarHBondContact O-N 3.41Å; D63-K66 VanDerWaalsContact O-N 3.11Å; D63-N69 PolarHBondContact N-ND2 3.38Å; D63-N69 PolarHBondContact O-ND2 2.9Å
64F98.5Very high98.2Very high2 Ų241.1 Ų41.11%0.00922%0.22CC..THydrogen-bonded Turntrans-69-13.6177.1-80.517.3000113T9 H34 K66 I70 M73 A91 Q110 V111 A115 H116 L119T9-F64 HydrophobicContact CG2-CE2 4.21Å; T9-F64 HydrophobicContact CG2-CZ 3.89Å; H34-F64 AromaticContact CE1-CD1 3.52Å; H34-F64 AromaticContact CE1-CE1 3.13Å; H34-F64 WeakPolarHBondContact CE1-CE1 3.16Å; H34-F64 AromaticContact CE1-CE2 3.91Å; H34-F64 AromaticContact CE1-CZ 3.35Å; H34-F64 WeakPolarHBondContact CE1-CZ 3.14Å; H34-F64 AromaticContact ND1-CZ 3.89Å; H34-F64 AromaticContact NE2-CD1 3.6Å; H34-F64 AromaticContact NE2-CE1 3.24Å; H34-F64 WeakPolarHBondContact NE2-CE1 3.38Å; H34-F64 AromaticContact NE2-CZ 3.89Å; F64-K66 PolarHBondContact O-N 3.34Å; F64-I70 HydrophobicContact CD1-CD1 3.85Å; F64-I70 HydrophobicContact CE1-CD1 3.98Å; F64-I70 HydrophobicContact CG-CD1 4.47Å; F64-M73 HydrophobicContact CE1-CE 4.23Å; F64-M73 HydrophobicContact CE1-SD 3.67Å; F64-M73 HydrophobicContact CZ-CE 4.36Å; F64-M73 HydrophobicContact CZ-SD 4.31Å; F64-A91 HydrophobicContact CD2-CB 3.96Å; F64-A91 HydrophobicContact CE2-CB 3.99Å; F64-Q110 PolarHBondContact O-NE2 2.9Å; F64-V111 HydrophobicContact CB-CB 4.47Å; F64-V111 HydrophobicContact CB-CG1 4.21Å; F64-V111 HydrophobicContact CB-CG2 4.24Å; F64-A115 HydrophobicContact CB-CB 3.75Å; F64-A115 HydrophobicContact CD1-CB 4.34Å; F64-A115 HydrophobicContact CD2-CB 3.54Å; F64-A115 HydrophobicContact CE2-CB 4.17Å; F64-A115 HydrophobicContact CG-CB 3.64Å; F64-H116 AromaticContact CE2-CD2 3.78Å; F64-H116 AromaticContact CE2-CE1 3.81Å; F64-H116 AromaticContact CE2-NE2 3.49Å; F64-H116 WeakPolarHBondContact CE2-NE2 3.36Å; F64-L119 HydrophobicContact CE1-CD2 4.48Å; F64-L119 HydrophobicContact CZ-CD2 3.83Å
65A98.2Very high98.4Very high7 Ų739.2 Ų39.26%0.05821%0.21CC..THydrogen-bonded Turntrans-75.99.116900000113.4D63 T101 M107 Q110 V111D63-A65 PolarHBondContact O-N 3.23Å; D63-A65 WeakPolarHBondContact OD1-CB 3.41Å; D63-A65 PolarHBondContact OD1-N 2.87Å; A65-T101 HydrophobicContact CB-CG2 4.08Å; A65-T101 WeakPolarHBondContact O-CB 3.35Å; A65-M107 HydrophobicContact CB-CE 3.96Å; A65-M107 HydrophobicContact CB-SD 3.62Å; A65-Q110 PolarHBondContact O-NE2 3.42Å; A65-V111 HydrophobicContact CB-CG2 4.29Å
66K98.5Very high98.4Very high94 Ų9440.6 Ų40.641%0.40921%0.214SC..  trans-135.6106176-52.7-176.8-179.8177.20110.3D63 F64 A68 N69 V102 D103D63-K66 HydrophobicContact CB-CD 4.46Å; D63-K66 HydrophobicContact CB-CG 4.38Å; D63-K66 PolarHBondContact O-N 3.41Å; D63-K66 VanDerWaalsContact O-N 3.11Å; F64-K66 PolarHBondContact O-N 3.34Å; K66-A68 PolarHBondContact O-N 2.99Å; K66-N69 HydrophobicContact CB-CB 4.49Å; K66-N69 VanDerWaalsContact O-CB 3.25Å; K66-N69 WeakPolarHBondContact O-CB 3.29Å; K66-N69 PolarHBondContact O-N 3.31Å; K66-V102 HydrophobicContact CB-CG2 4.29Å; K66-V102 HydrophobicContact CG-CG2 3.8Å; K66-D103 VanDerWaalsContact CA-OD2 3.25Å; K66-D103 WeakPolarHBondContact CA-OD2 3.45Å
67M98.6Very high98.5Very high0 Ų036.9 Ų36.90%020%0.197CC..THydrogen-bonded Turntrans-63.5-29.6-176.7-71.8-56.6-65.700112.8N69 I70 P71 D103 Q110 L114 A118 K271 V273M67-N69 PolarHBondContact O-N 3.19Å; M67-N69 VanDerWaalsContact O-N 3.13Å; M67-I70 HydrophobicContact CE-CG1 4.33Å; M67-I70 PolarHBondContact O-N 3.34Å; M67-I70 HydrophobicContact SD-CG1 4.28Å; M67-P71 WeakPolarHBondContact O-CD 3.37Å; M67-D103 HydrophobicContact CG-CB 4.41Å; M67-D103 PolarHBondContact N-OD1 3.28Å; M67-D103 PolarHBondContact N-OD2 3.39Å; M67-Q110 HydrophobicContact CG-CG 4.37Å; M67-Q110 HydrophobicContact SD-CG 3.94Å; M67-L114 HydrophobicContact CE-CD2 4.15Å; M67-L114 HydrophobicContact CE-CG 3.97Å; M67-L114 HydrophobicContact CG-CD2 4.5Å; M67-L114 HydrophobicContact SD-CD2 4.07Å; M67-L114 HydrophobicContact SD-CG 4.18Å; M67-A118 HydrophobicContact CE-CB 3.8Å; M67-K271 HydrophobicContact CB-CB 3.71Å; M67-K271 HydrophobicContact CB-CG 4.33Å; M67-K271 HydrophobicContact CG-CB 4.12Å; M67-K271 HydrophobicContact CG-CG 4.25Å; M67-V273 HydrophobicContact CB-CG2 4.28Å; M67-V273 HydrophobicContact CE-CG2 4.08Å; M67-V273 WeakPolarHBondContact O-CG2 3.39Å
68A98.1Very high98.5Very high66 Ų6638.3 Ų38.355%0.54520%0.202SC..THydrogen-bonded Turntrans-58.7-22.4173.100000113.8K66K66-A68 PolarHBondContact O-N 2.99Å
69N98.5Very high98.5Very high31 Ų3140.6 Ų40.617%0.16622%0.218CC..Hα-helixtrans-73.5-26.3175.6-75.8-13.7000113.1Y62 D63 K66 M67 L72 M73Y62-N69 HydrophobicContact CD1-CB 3.72Å; Y62-N69 HydrophobicContact CG-CB 4.4Å; D63-N69 PolarHBondContact N-ND2 3.38Å; D63-N69 PolarHBondContact O-ND2 2.9Å; K66-N69 HydrophobicContact CB-CB 4.49Å; K66-N69 VanDerWaalsContact O-CB 3.25Å; K66-N69 WeakPolarHBondContact O-CB 3.29Å; K66-N69 PolarHBondContact O-N 3.31Å; M67-N69 PolarHBondContact O-N 3.19Å; M67-N69 VanDerWaalsContact O-N 3.13Å; N69-L72 PolarHBondContact O-N 2.96Å; N69-M73 WeakPolarHBondContact O-CB 3.41Å; N69-M73 PolarHBondContact O-N 3.46Å
70I98.7Very high98.4Very high0 Ų041.7 Ų41.70%022%0.222CC..Hα-helixtrans-67.3-44.6-168.8-54.4-59.5000112.3F64 M67 L72 M73 A74 A115 A118 L119 L122F64-I70 HydrophobicContact CD1-CD1 3.85Å; F64-I70 HydrophobicContact CE1-CD1 3.98Å; F64-I70 HydrophobicContact CG-CD1 4.47Å; M67-I70 HydrophobicContact CE-CG1 4.33Å; M67-I70 PolarHBondContact O-N 3.34Å; M67-I70 HydrophobicContact SD-CG1 4.28Å; I70-L72 VanDerWaalsContact C-N 3.33Å; I70-L72 PolarHBondContact O-N 2.82Å; I70-M73 PolarHBondContact O-N 3.17Å; I70-A74 WeakPolarHBondContact O-CB 3.26Å; I70-A74 PolarHBondContact O-N 3.3Å; I70-A115 HydrophobicContact CD1-CB 3.9Å; I70-A115 HydrophobicContact CG1-CB 4.48Å; I70-A118 HydrophobicContact CB-CB 4.45Å; I70-A118 HydrophobicContact CG2-CB 3.68Å; I70-L119 HydrophobicContact CG2-CB 3.91Å; I70-L119 HydrophobicContact CG2-CD1 4.48Å; I70-L122 HydrophobicContact CG2-CD1 4.05Å
71P98.6Very high98.3Very high47 Ų4741.8 Ų41.831%0.30522%0.223SC..Hα-helixtrans-62.6-37.3172.6-23.434.8000113.6M67 A74 N75 L122 V273M67-P71 WeakPolarHBondContact O-CD 3.37Å; P71-A74 PolarHBondContact O-N 2.93Å; P71-N75 WeakPolarHBondContact O-CB 3.46Å; P71-N75 PolarHBondContact O-N 2.91Å; P71-L122 HydrophobicContact CG-CD1 4.45Å; P71-V273 HydrophobicContact CG-CB 4.36Å; P71-V273 HydrophobicContact CG-CG1 4.16Å; P71-V273 HydrophobicContact CG-CG2 3.84Å
72L98.5Very high98.2Very high97 Ų9743.7 Ų43.751%0.50823%0.234SC..Hα-helixtrans-64.3-48.2178.1-61.5176.8000110.8Y62 N69 I70 A74 N75 E76Y62-L72 HydrophobicContact CE1-CB 3.65Å; N69-L72 PolarHBondContact O-N 2.96Å; I70-L72 VanDerWaalsContact C-N 3.33Å; I70-L72 PolarHBondContact O-N 2.82Å; L72-A74 PolarHBondContact O-N 3.46Å; L72-N75 PolarHBondContact O-N 2.88Å; L72-E76 WeakPolarHBondContact O-CB 3.26Å; L72-E76 PolarHBondContact O-N 3.39Å
73M98.6Very high98.1Very high0 Ų043.8 Ų43.80%024%0.237CC..Hα-helixtrans-59.2-46.9175.1-177176.6167.600111.7L7 H34 V60 Y62 F64 N69 I70 N75 E76 I77 L119L7-M73 HydrophobicContact CD1-CE 4.18Å; L7-M73 HydrophobicContact CD2-CE 3.98Å; H34-M73 HydrophobicContact CB-CE 4.34Å; V60-M73 HydrophobicContact CG2-CE 3.75Å; V60-M73 HydrophobicContact CG2-CG 4.48Å; Y62-M73 HydrophobicContact CD1-CB 4.11Å; Y62-M73 HydrophobicContact CD2-CB 3.46Å; Y62-M73 VanDerWaalsContact CD2-CB 3.46Å; Y62-M73 HydrophobicContact CD2-CG 3.54Å; Y62-M73 HydrophobicContact CD2-SD 4.09Å; Y62-M73 HydrophobicContact CE1-CB 4.34Å; Y62-M73 HydrophobicContact CE2-CB 3.76Å; Y62-M73 HydrophobicContact CE2-CG 4.04Å; Y62-M73 HydrophobicContact CG-CB 3.65Å; Y62-M73 HydrophobicContact CG-CG 4.07Å; Y62-M73 HydrophobicContact CG-SD 4.28Å; F64-M73 HydrophobicContact CE1-CE 4.23Å; F64-M73 HydrophobicContact CE1-SD 3.67Å; F64-M73 HydrophobicContact CZ-CE 4.36Å; F64-M73 HydrophobicContact CZ-SD 4.31Å; N69-M73 WeakPolarHBondContact O-CB 3.41Å; N69-M73 PolarHBondContact O-N 3.46Å; I70-M73 PolarHBondContact O-N 3.17Å; M73-N75 VanDerWaalsContact C-N 3.35Å; M73-N75 PolarHBondContact O-N 3.34Å; M73-E76 PolarHBondContact O-N 3.15Å; M73-I77 HydrophobicContact CE-CD1 3.8Å; M73-I77 HydrophobicContact CG-CD1 3.73Å; M73-I77 WeakPolarHBondContact O-CB 3.44Å; M73-I77 WeakPolarHBondContact O-CD1 3.46Å; M73-I77 VanDerWaalsContact O-CG1 3.26Å; M73-I77 WeakPolarHBondContact O-CG1 3.43Å; M73-I77 PolarHBondContact O-N 3.31Å; M73-L119 HydrophobicContact CE-CD1 4.17Å; M73-L119 HydrophobicContact CE-CD2 3.57Å; M73-L119 HydrophobicContact CG-CD1 4.13Å; M73-L119 HydrophobicContact SD-CD1 4.1Å; M73-L119 HydrophobicContact SD-CD2 4.11Å
74A98.6Very high98.1Very high4 Ų442 Ų423%0.03323%0.227CC..Hα-helixtrans-61.4-43.7178.800000111.5I70 P71 L72 I77 K78 L119 L122 L123I70-A74 WeakPolarHBondContact O-CB 3.26Å; I70-A74 PolarHBondContact O-N 3.3Å; P71-A74 PolarHBondContact O-N 2.93Å; L72-A74 PolarHBondContact O-N 3.46Å; A74-I77 PolarHBondContact O-N 3.45Å; A74-K78 VanDerWaalsContact O-CG 3.28Å; A74-K78 WeakPolarHBondContact O-CG 3.28Å; A74-K78 PolarHBondContact O-N 3.16Å; A74-L119 HydrophobicContact CB-CD1 4.31Å; A74-L122 HydrophobicContact CB-CB 3.7Å; A74-L122 HydrophobicContact CB-CD1 3.81Å; A74-L122 HydrophobicContact CB-CG 4.42Å; A74-L123 HydrophobicContact CB-CD2 4.24Å; A74-L123 HydrophobicContact CB-CG 4.43Å
75N98.5Very high98Very high106 Ų10642.9 Ų42.957%0.56723%0.233SC*.Hα-helixtrans-64.4-42.7177.9-174.762.4000112.5P71 L72 M73 I77 K78 T79P71-N75 WeakPolarHBondContact O-CB 3.46Å; P71-N75 PolarHBondContact O-N 2.91Å; L72-N75 PolarHBondContact O-N 2.88Å; M73-N75 VanDerWaalsContact C-N 3.35Å; M73-N75 PolarHBondContact O-N 3.34Å; N75-I77 VanDerWaalsContact C-N 3.34Å; N75-I77 PolarHBondContact O-N 2.8Å; N75-K78 PolarHBondContact O-N 3.12Å; N75-T79 WeakPolarHBondContact O-CB 3.35Å; N75-T79 PolarHBondContact O-N 3.21Å; N75-T79 PolarHBondContact O-OG1 3.38Å
76E98.6Very high98.1Very high44 Ų4442.7 Ų42.721%0.20623%0.231CC..Hα-helixtrans-60.2-45.2174.8-179.9176.1155.900111.4Y62 L72 M73 T79 R80Y62-E76 WeakPolarHBondContact CE2-OE2 3.45Å; Y62-E76 VanDerWaalsContact CZ-OE2 3.24Å; Y62-E76 PolarHBondContact OH-OE2 3.07Å; L72-E76 WeakPolarHBondContact O-CB 3.26Å; L72-E76 PolarHBondContact O-N 3.39Å; M73-E76 PolarHBondContact O-N 3.15Å; E76-T79 PolarHBondContact O-N 2.76Å; E76-R80 HydrophobicContact CG-CG 4.32Å; E76-R80 WeakPolarHBondContact O-CB 3.48Å; E76-R80 PolarHBondContact O-N 3.42Å; E76-R80 IonicContact OE1-CZ 2.78Å; E76-R80 IonicContact OE1-NH1 2.69Å; E76-R80 PolarHBondContact OE1-NH1 3.29Å
77I98.6Very high98.1Very high0 Ų038.2 Ų38.20%021%0.212CC..Hα-helixtrans-62.2-46.2177.7-71.7162.5000111.2L7 V60 M73 A74 N75 T79 F81 L84 L119 L123L7-I77 HydrophobicContact CD2-CD1 3.7Å; V60-I77 HydrophobicContact CG1-CG1 4.19Å; M73-I77 HydrophobicContact CE-CD1 3.8Å; M73-I77 HydrophobicContact CG-CD1 3.73Å; M73-I77 WeakPolarHBondContact O-CB 3.44Å; M73-I77 WeakPolarHBondContact O-CD1 3.46Å; M73-I77 VanDerWaalsContact O-CG1 3.26Å; M73-I77 WeakPolarHBondContact O-CG1 3.43Å; M73-I77 PolarHBondContact O-N 3.31Å; A74-I77 PolarHBondContact O-N 3.45Å; N75-I77 VanDerWaalsContact C-N 3.34Å; N75-I77 PolarHBondContact O-N 2.8Å; I77-T79 PolarHBondContact O-N 2.98Å; I77-F81 HydrophobicContact CB-CD2 4.35Å; I77-F81 HydrophobicContact CG1-CD2 4.21Å; I77-F81 HydrophobicContact CG2-CD2 4.37Å; I77-F81 CarbonylContact O-C 3.57Å; I77-F81 WeakPolarHBondContact O-CA 3.22Å; I77-F81 WeakPolarHBondContact O-CB 3.46Å; I77-F81 PolarHBondContact O-N 2.83Å; I77-L84 HydrophobicContact CG2-CD2 3.76Å; I77-L119 HydrophobicContact CD1-CD1 4.28Å; I77-L123 HydrophobicContact CB-CD2 4.1Å; I77-L123 HydrophobicContact CD1-CD1 4.01Å; I77-L123 HydrophobicContact CG2-CD1 4.13Å; I77-L123 HydrophobicContact CG2-CD2 3.72Å
78K98.1Very high98.1Very high60 Ų6038.2 Ų38.226%0.26121%0.212SC..Hα-helixtrans-59.8-31.3177.4-73.2-177.1-175.4-163.20112.9A74 N75 T82 L122 L123 D125A74-K78 VanDerWaalsContact O-CG 3.28Å; A74-K78 WeakPolarHBondContact O-CG 3.28Å; A74-K78 PolarHBondContact O-N 3.16Å; N75-K78 PolarHBondContact O-N 3.12Å; K78-T82 WeakPolarHBondContact O-CG2 3.38Å; K78-L122 WeakPolarHBondContact CE-O 3.42Å; K78-L122 PolarHBondContact NZ-O 2.93Å; K78-L123 HydrophobicContact CG-CD2 3.94Å; K78-D125 WeakPolarHBondContact CE-OD1 3.46Å; K78-D125 IonicContact NZ-OD1 2.83Å; K78-D125 PolarHBondContact NZ-OD1 3.5Å; K78-D125 IonicContact NZ-OD2 3.2Å; K78-D125 PolarHBondContact NZ-OD2 3.25Å
79T98Very high98.1Very high97 Ų9735.1 Ų35.160%0.59519%0.186SC*.Hα-helixtrans-84.8-46.3-177.4-54.60000111.9N75 E76 I77N75-T79 WeakPolarHBondContact O-CB 3.35Å; N75-T79 PolarHBondContact O-N 3.21Å; N75-T79 PolarHBondContact O-OG1 3.38Å; E76-T79 PolarHBondContact O-N 2.76Å; I77-T79 PolarHBondContact O-N 2.98Å
80R97.6Very high98.1Very high100 Ų10034.6 Ų34.638%0.37718%0.184SC..Hα-helixtrans-85.2-32.8-175-69.5174.561.5-168.2-3.7113.4D58 Y59 E76D58-R80 IonicContact OD1-CZ 2.79Å; D58-R80 IonicContact OD1-NH2 3.72Å; D58-R80 PolarHBondContact OD1-NH2 3.25Å; Y59-R80 PolarHBondContact O-NH1 2.99Å; Y59-R80 PolarHBondContact O-NH2 3.02Å; E76-R80 HydrophobicContact CG-CG 4.32Å; E76-R80 WeakPolarHBondContact O-CB 3.48Å; E76-R80 PolarHBondContact O-N 3.42Å; E76-R80 IonicContact OE1-CZ 2.78Å; E76-R80 IonicContact OE1-NH1 2.69Å; E76-R80 PolarHBondContact OE1-NH1 3.29Å
81F96.9Very high98Very high3 Ų335 Ų351%0.01319%0.187CC..  trans-126.260.5-169.7-46.1-59.9000110.2I32 D58 V60 I77 D83 L84I32-F81 HydrophobicContact CD1-CB 3.78Å; I32-F81 HydrophobicContact CD1-CD1 3.87Å; I32-F81 HydrophobicContact CD1-CD2 3.48Å; I32-F81 VanDerWaalsContact CD1-CD2 3.48Å; I32-F81 HydrophobicContact CD1-CE1 4.34Å; I32-F81 HydrophobicContact CD1-CE2 4.01Å; I32-F81 HydrophobicContact CD1-CG 3.4Å; I32-F81 VanDerWaalsContact CD1-CG 3.4Å; I32-F81 HydrophobicContact CD1-CZ 4.4Å; I32-F81 HydrophobicContact CG1-CD1 4.07Å; I32-F81 HydrophobicContact CG1-CD2 4.06Å; I32-F81 HydrophobicContact CG1-CE1 4.09Å; I32-F81 HydrophobicContact CG1-CE2 4.09Å; I32-F81 HydrophobicContact CG1-CG 4.06Å; I32-F81 HydrophobicContact CG1-CZ 4.09Å; I32-F81 HydrophobicContact CG2-CD2 4.36Å; I32-F81 HydrophobicContact CG2-CE2 3.84Å; I32-F81 HydrophobicContact CG2-CZ 4.15Å; D58-F81 HydrophobicContact CB-CE1 3.57Å; D58-F81 HydrophobicContact CB-CZ 3.66Å; D58-F81 VanDerWaalsContact CG-CE1 3.47Å; V60-F81 HydrophobicContact CG1-CE2 3.77Å; I77-F81 HydrophobicContact CB-CD2 4.35Å; I77-F81 HydrophobicContact CG1-CD2 4.21Å; I77-F81 HydrophobicContact CG2-CD2 4.37Å; I77-F81 CarbonylContact O-C 3.57Å; I77-F81 WeakPolarHBondContact O-CA 3.22Å; I77-F81 WeakPolarHBondContact O-CB 3.46Å; I77-F81 PolarHBondContact O-N 2.83Å; F81-D83 PolarHBondContact O-N 3.37Å; F81-L84 WeakPolarHBondContact O-CB 3.38Å; F81-L84 PolarHBondContact O-N 3.34Å; F81-L84 VanDerWaalsContact O-N 3.08Å
82T95.6Very high97.9Very high85 Ų8534.2 Ų34.252%0.52119%0.187SC..THydrogen-bonded Turntrans-60.1-18-177.152.80000113.5K78 N130K78-T82 WeakPolarHBondContact O-CG2 3.38Å; T82-N130 PolarHBondContact O-ND2 3Å; T82-N130 PolarHBondContact O-OD1 3.41Å
83D96.1Very high97.8Very high38 Ų3830.6 Ų30.620%0.20317%0.169CC..THydrogen-bonded Turntrans-100.213.1-178.365-36.3000113.6S5 R30 F81 T85 N130S5-D83 PolarHBondContact OG-OD1 3.09Å; S5-D83 PolarHBondContact OG-OD2 3.3Å; R30-D83 IonicContact CZ-OD2 3.69Å; R30-D83 IonicContact NH1-OD1 3.02Å; R30-D83 PolarHBondContact NH1-OD1 3.46Å; R30-D83 IonicContact NH1-OD2 3.83Å; R30-D83 PolarHBondContact NH1-OD2 3.06Å; F81-D83 PolarHBondContact O-N 3.37Å; D83-T85 PolarHBondContact O-N 3.22Å; D83-N130 VanDerWaalsContact C-ND2 3.25Å; D83-N130 WeakPolarHBondContact CA-ND2 3.17Å
84L98.5Very high97.5Very high0 Ų031.1 Ų31.10%017%0.172CC..EExtended strand (participates in β ladder)trans-54.9120.9176.5-176.373.7000111.5L7 I32 I77 F81 A86 I87 L123 T126 L127 N130L7-L84 HydrophobicContact CB-CD1 3.86Å; I32-L84 HydrophobicContact CD1-CD1 3.98Å; I77-L84 HydrophobicContact CG2-CD2 3.76Å; F81-L84 WeakPolarHBondContact O-CB 3.38Å; F81-L84 PolarHBondContact O-N 3.34Å; F81-L84 VanDerWaalsContact O-N 3.08Å; L84-A86 WeakPolarHBondContact CD1-O 3.36Å; L84-I87 HydrophobicContact CD2-CD1 4.11Å; L84-I87 HydrophobicContact CD2-CG1 3.99Å; L84-L123 HydrophobicContact CD2-CD1 4.15Å; L84-T126 HydrophobicContact CB-CG2 4.18Å; L84-L127 HydrophobicContact CD2-CD2 4.26Å; L84-L127 HydrophobicContact CG-CD2 4.19Å; L84-N130 PolarHBondContact N-ND2 3.46Å; L84-N130 WeakPolarHBondContact O-CB 3.43Å; L84-N130 PolarHBondContact O-ND2 3.5Å
85T97.7Very high97.3Very high22 Ų2232.2 Ų32.214%0.13518%0.177CC..EExtended strand (participates in β ladder)trans-113.7-19.3-179.848.90000113.4S5 D83 N130 S133 R134S5-T85 PolarHBondContact N-OG1 2.84Å; S5-T85 PolarHBondContact O-N 2.78Å; S5-T85 PolarHBondContact O-OG1 3.2Å; D83-T85 PolarHBondContact O-N 3.22Å; T85-N130 HydrophobicContact CG2-CB 4.06Å; T85-S133 WeakPolarHBondContact CA-OG 3.42Å; T85-S133 CarbonylContact O-C 3.38Å; T85-S133 WeakPolarHBondContact O-CA 3.48Å; T85-S133 WeakPolarHBondContact O-CB 3.34Å; T85-S133 PolarHBondContact O-OG 2.65Å; T85-R134 PolarHBondContact O-N 3.2Å
86A98.5Very high96.9Very high2 Ų231.4 Ų31.42%0.01718%0.178CC..EExtended strand (participates in β ladder)trans-147.1146.9-178.900000114S5 F6 L7 L84 R134 V225S5-A86 PolarHBondContact O-N 3.05Å; S5-A86 VanDerWaalsContact O-N 3.17Å; F6-A86 WeakPolarHBondContact CA-O 3.42Å; F6-A86 HydrophobicContact CD1-CB 3.61Å; F6-A86 HydrophobicContact CE1-CB 4.04Å; F6-A86 HydrophobicContact CG-CB 4.5Å; L7-A86 PolarHBondContact N-O 3.24Å; L84-A86 WeakPolarHBondContact CD1-O 3.36Å; A86-R134 CarbonylContact C-O 3.55Å; A86-R134 WeakPolarHBondContact CA-O 3.46Å; A86-R134 WeakPolarHBondContact CB-O 3.38Å; A86-V225 HydrophobicContact CB-CB 4.17Å; A86-V225 HydrophobicContact CB-CG1 4.13Å
87I98.8Very high96.7Very high0 Ų036.3 Ų36.30%020%0.201CC..EExtended strand (participates in β ladder)trans-127.5125.7174.6-53.5178.6000108.7L7 L84 L123 L127 R134 I135 V136L7-I87 HydrophobicContact CB-CG1 4.41Å; L7-I87 HydrophobicContact CB-CG2 4.49Å; L7-I87 HydrophobicContact CD2-CG1 4.47Å; L7-I87 HydrophobicContact CD2-CG2 4.13Å; L7-I87 HydrophobicContact CG-CG2 4.44Å; L7-I87 CarbonylContact O-C 3.56Å; L7-I87 WeakPolarHBondContact O-CA 3.41Å; L84-I87 HydrophobicContact CD2-CD1 4.11Å; L84-I87 HydrophobicContact CD2-CG1 3.99Å; I87-L123 HydrophobicContact CD1-CB 4.08Å; I87-L123 HydrophobicContact CD1-CD1 3.65Å; I87-L127 HydrophobicContact CD1-CD1 3.87Å; I87-L127 HydrophobicContact CD1-CD2 4.49Å; I87-L127 HydrophobicContact CG1-CD1 4.33Å; I87-L127 HydrophobicContact CG1-CD2 4.31Å; I87-R134 PolarHBondContact N-O 2.83Å; I87-I135 WeakPolarHBondContact O-CA 3.5Å; I87-V136 PolarHBondContact O-N 3.18Å
88V98.8Very high96.7Very high0 Ų039.9 Ų39.90%021%0.214CC..EExtended strand (participates in β ladder)trans-102.8104.6167.7-175.60000108.4L7 V8 T9 T19 N90 V136 V138 A221 V225L7-V88 PolarHBondContact O-N 3.13Å; V8-V88 HydrophobicContact CB-CB 4.49Å; V8-V88 HydrophobicContact CG1-CB 4.14Å; V8-V88 HydrophobicContact CG1-CG1 4.36Å; V8-V88 HydrophobicContact CG2-CB 4.35Å; V8-V88 HydrophobicContact CG2-CG2 4.37Å; T9-V88 PolarHBondContact N-O 3.08Å; T9-V88 PolarHBondContact OG1-O 3Å; T19-V88 HydrophobicContact CG2-CG1 4.43Å; T19-V88 HydrophobicContact CG2-CG2 4.31Å; V88-N90 VanDerWaalsContact C-N 3.34Å; V88-N90 HydrophobicContact CG1-CB 4.11Å; V88-N90 PolarHBondContact O-N 3.03Å; V88-V136 CarbonylContact C-O 3.45Å; V88-V136 WeakPolarHBondContact CA-O 3.4Å; V88-V138 HydrophobicContact CG1-CG2 4.25Å; V88-A221 HydrophobicContact CG1-CB 4.21Å; V88-V225 HydrophobicContact CG2-CG1 3.78Å
89C98.8Very high96.7Very high1 Ų141.2 Ų41.21%0.00722%0.221CC..EExtended strand (participates in β ladder)trans-78.580176.6-64.50000110.1T9 H116 V120 V136 V137 V138T9-C89 WeakPolarHBondContact OG1-CA 3.37Å; C89-H116 HydrophobicContact CB-CB 4.24Å; C89-H116 WeakPolarHBondContact CB-CD2 3.04Å; C89-V120 VanDerWaalsContact SG-CG2 3.53Å; C89-V136 PolarHBondContact N-O 3.49Å; C89-V137 HydrophobicContact CB-CG1 4.42Å; C89-V137 HydrophobicContact CB-CG2 4.38Å; C89-V138 WeakPolarHBondContact O-CB 3.48Å; C89-V138 WeakPolarHBondContact O-CG2 3.29Å; C89-V138 PolarHBondContact O-N 3.25Å
90N98.2Very high96.6Very high21 Ų2141.5 Ų41.511%0.11222%0.216CC..  trans-105.6-25.9-174.3163.687.3000114.4T9 G10 G16 V88 G92 V138T9-N90 CarbonylContact O-C 3.43Å; T9-N90 VanDerWaalsContact O-CB 3.28Å; T9-N90 WeakPolarHBondContact O-CB 3.36Å; T9-N90 PolarHBondContact O-ND2 3.36Å; T9-N90 PolarHBondContact OG1-N 3.42Å; G10-N90 PolarHBondContact O-ND2 2.9Å; G16-N90 VanDerWaalsContact CA-ND2 3.32Å; G16-N90 WeakPolarHBondContact CA-ND2 3.33Å; V88-N90 VanDerWaalsContact C-N 3.34Å; V88-N90 HydrophobicContact CG1-CB 4.11Å; V88-N90 PolarHBondContact O-N 3.03Å; N90-G92 PolarHBondContact O-N 3.03Å; N90-V138 HydrophobicContact CB-CG2 3.69Å
91A96.9Very high96.7Very high9 Ų937.2 Ų37.27%0.07420%0.201CC..  trans-51.6139.5-175.800000111.3T9 F64 H116T9-A91 PolarHBondContact O-N 2.79Å; T9-A91 VanDerWaalsContact O-N 3.11Å; T9-A91 PolarHBondContact OG1-N 2.81Å; F64-A91 HydrophobicContact CD2-CB 3.96Å; F64-A91 HydrophobicContact CE2-CB 3.99Å; A91-H116 PolarHBondContact O-CE1 3.43Å
92G96.1Very high96.7Very high29 Ų2942.6 Ų42.630%0.29923%0.234SC..  trans-172.9158-179.800000114.1N90 N112N90-G92 PolarHBondContact O-N 3.03Å; G92-N112 WeakPolarHBondContact CA-OD1 3.33Å
93V95.4Very high96.8Very high21 Ų2139.8 Ų39.813%0.12722%0.215CC..  trans-135.6152.5177.7-62.80000110.1L95 M107 A108 V111 N112 Y165V93-L95 HydrophobicContact CG2-CD1 4.47Å; V93-M107 HydrophobicContact CG2-CG 4.25Å; V93-A108 HydrophobicContact CG2-CB 4.21Å; V93-V111 HydrophobicContact CG1-CG1 4.13Å; V93-V111 HydrophobicContact CG2-CB 4.04Å; V93-V111 HydrophobicContact CG2-CG1 4.26Å; V93-V111 HydrophobicContact CG2-CG2 4.48Å; V93-N112 PolarHBondContact N-OD1 3.38Å; V93-N112 PolarHBondContact O-ND2 2.68Å; V93-N112 PolarHBondContact O-OD1 3.05Å; V93-Y165 WeakPolarHBondContact O-CD2 3.42Å
94L93.7Very high96.9Very high12 Ų1239.8 Ų39.86%0.06322%0.224CC..  trans-134.7124.2166.9-177.7166.4000105.5K161 Y162 Y165 L202 A205L94-K161 HydrophobicContact CD2-CB 4.43Å; L94-Y162 HydrophobicContact CD1-CD1 4.24Å; L94-Y162 HydrophobicContact CD1-CE1 3.77Å; L94-Y165 HydrophobicContact CB-CD2 3.87Å; L94-Y165 HydrophobicContact CB-CE2 4.25Å; L94-Y165 HydrophobicContact CB-CG 4.3Å; L94-Y165 HydrophobicContact CD1-CD1 3.9Å; L94-Y165 HydrophobicContact CD1-CD2 4.17Å; L94-Y165 HydrophobicContact CD1-CE1 4.33Å; L94-Y165 HydrophobicContact CD1-CG 3.81Å; L94-Y165 HydrophobicContact CG-CD2 4.13Å; L94-Y165 HydrophobicContact CG-CG 4.04Å; L94-L202 HydrophobicContact CB-CD2 3.55Å; L94-L202 HydrophobicContact CB-CG 3.78Å; L94-L202 HydrophobicContact CD1-CD2 3.75Å; L94-L202 HydrophobicContact CG-CD2 4.32Å; L94-A205 HydrophobicContact CD2-CB 4.49Å
95L92.9Very high96.9Very high26 Ų2639.9 Ų39.914%0.13623%0.225CC..  trans-115.3146.4-172.7-61.9166.5000110.5V93 E97 E99 M107 Y159 K161V93-L95 HydrophobicContact CG2-CD1 4.47Å; L95-E97 VanDerWaalsContact C-N 3.31Å; L95-E97 WeakPolarHBondContact CB-O 3.25Å; L95-E99 HydrophobicContact CD1-CB 4Å; L95-E99 HydrophobicContact CD1-CG 4.19Å; L95-M107 HydrophobicContact CD1-CB 3.61Å; L95-M107 HydrophobicContact CD1-CG 3.41Å; L95-M107 VanDerWaalsContact CD1-CG 3.41Å; L95-Y159 PolarHBondContact O-OH 3.12Å; L95-K161 WeakPolarHBondContact O-CB 3.24Å
96P91.9Very high96.9Very high90 Ų9038.9 Ų38.958%0.58422%0.218SC*.SBendtrans-70.3-31.5176.328.4-33.6000112.1
97E94.6Very high96.9Very high147 Ų14740 Ų4069%0.68722%0.224SC*.SBendtrans-126.8161.6-177.8-62.3-176.1176.700110.4L95 E99L95-E97 VanDerWaalsContact C-N 3.31Å; L95-E97 WeakPolarHBondContact CB-O 3.25Å; E97-E99 PolarHBondContact O-N 3.34Å
98R97.1Very high96.9Very high74 Ų7440 Ų4028%0.27922%0.224SC..  trans-68.2119.4173.6-172.3-169.8177-90-0.7108.9E100 E106 M154 A155 Y159R98-E100 IonicContact CZ-OE2 2.93Å; R98-E100 IonicContact NH1-OE2 2.83Å; R98-E100 PolarHBondContact NH1-OE2 3.34Å; R98-E100 IonicContact NH2-OE2 2.67Å; R98-E100 PolarHBondContact NH2-OE2 3.45Å; R98-E106 HydrophobicContact CG-CG 4.17Å; R98-M154 PolarHBondContact NE-O 3.05Å; R98-M154 PolarHBondContact NH2-O 3.49Å; R98-A155 VanDerWaalsContact CD-O 3.28Å; R98-A155 WeakPolarHBondContact CD-O 3.35Å; R98-Y159 HydrophobicContact CB-CD1 4.24Å; R98-Y159 HydrophobicContact CB-CD2 3.52Å; R98-Y159 HydrophobicContact CB-CE2 4.1Å; R98-Y159 HydrophobicContact CB-CG 3.59Å; R98-Y159 HydrophobicContact CG-CD2 3.85Å; R98-Y159 HydrophobicContact CG-CE2 4.4Å; R98-Y159 HydrophobicContact CG-CG 4.36Å
99E97.8Very high96.8Very high89 Ų8940.1 Ų40.142%0.41623%0.225SC..  trans-113.7150.2168.4-64.8179-159.100109.8L95 E97 M107L95-E99 HydrophobicContact CD1-CB 4Å; L95-E99 HydrophobicContact CD1-CG 4.19Å; E97-E99 PolarHBondContact O-N 3.34Å; E99-M107 HydrophobicContact CB-CB 3.96Å; E99-M107 WeakPolarHBondContact O-CB 3.16Å; E99-M107 PolarHBondContact O-N 3.41Å
100E97.7Very high96.8Very high103 Ų10340.1 Ų40.148%0.48122%0.224SC..BIsolated β-bridgetrans-114.1137.4176.7-164.3165.211300109.3R98 G104 I105R98-E100 IonicContact CZ-OE2 2.93Å; R98-E100 IonicContact NH1-OE2 2.83Å; R98-E100 PolarHBondContact NH1-OE2 3.34Å; R98-E100 IonicContact NH2-OE2 2.67Å; R98-E100 PolarHBondContact NH2-OE2 3.45Å; E100-G104 VanDerWaalsContact CG-C 3.5Å; E100-G104 WeakPolarHBondContact OE1-CA 3.44Å; E100-I105 WeakPolarHBondContact CA-O 3.13Å
101T98.4Very high96.9Very high10 Ų1039.3 Ų39.36%0.06122%0.22CC..  trans-73.2172.317565.90000111.3A65 D103 G104 I105 M107 Q110A65-T101 HydrophobicContact CB-CG2 4.08Å; A65-T101 WeakPolarHBondContact O-CB 3.35Å; T101-D103 PolarHBondContact O-N 2.94Å; T101-D103 VanDerWaalsContact O-N 3.09Å; T101-D103 PolarHBondContact OG1-N 3.06Å; T101-G104 PolarHBondContact O-N 3.24Å; T101-I105 PolarHBondContact N-O 3.32Å; T101-I105 PolarHBondContact OG1-N 3.02Å; T101-I105 PolarHBondContact OG1-O 3.43Å; T101-M107 HydrophobicContact CG2-CB 4.31Å; T101-M107 HydrophobicContact CG2-CE 3.92Å; T101-M107 HydrophobicContact CG2-SD 3.72Å; T101-Q110 HydrophobicContact CG2-CB 3.98Å; T101-Q110 HydrophobicContact CG2-CG 4.28Å; T101-Q110 PolarHBondContact OG1-OE1 3.27Å
102V97.6Very high96.9Very high116 Ų11638.9 Ų38.970%0.70322%0.217SC*.THydrogen-bonded Turntrans-62.1-15.8170.9-590000112.9K66 G104K66-V102 HydrophobicContact CB-CG2 4.29Å; K66-V102 HydrophobicContact CG-CG2 3.8Å; V102-G104 VanDerWaalsContact C-N 3.34Å
103D98Very high97.1Very high25 Ų2537.6 Ų37.613%0.13420%0.203CC..THydrogen-bonded Turntrans-87.1-2.8177.7-55.9-69000112.5K66 M67 T101 I105 Q110 K271K66-D103 VanDerWaalsContact CA-OD2 3.25Å; K66-D103 WeakPolarHBondContact CA-OD2 3.45Å; M67-D103 HydrophobicContact CG-CB 4.41Å; M67-D103 PolarHBondContact N-OD1 3.28Å; M67-D103 PolarHBondContact N-OD2 3.39Å; T101-D103 PolarHBondContact O-N 2.94Å; T101-D103 VanDerWaalsContact O-N 3.09Å; T101-D103 PolarHBondContact OG1-N 3.06Å; D103-I105 HydrophobicContact CB-CD1 4.39Å; D103-I105 HydrophobicContact CB-CG1 4.35Å; D103-Q110 PolarHBondContact OD2-NE2 3.4Å; D103-Q110 PolarHBondContact OD2-OE1 3.11Å; D103-K271 HydrophobicContact CB-CD 4.03Å; D103-K271 HydrophobicContact CB-CG 4.24Å; D103-K271 WeakPolarHBondContact O-CE 3.31Å; D103-K271 PolarHBondContact O-NZ 2.99Å
104G97.4Very high97.2Very high38 Ų3836.6 Ų36.639%0.39220%0.197SC..SBendtrans76.524-177.300000113.8E100 T101 V102E100-G104 VanDerWaalsContact CG-C 3.5Å; E100-G104 WeakPolarHBondContact OE1-CA 3.44Å; T101-G104 PolarHBondContact O-N 3.24Å; V102-G104 VanDerWaalsContact C-N 3.34Å
105I98.2Very high97.5Very high3 Ų336 Ų362%0.01519%0.194CC..SBendtrans-115.9146.1-178.2-57.9180000108.4E100 T101 D103 M107 F109 Q110 L114 M154 K271E100-I105 WeakPolarHBondContact CA-O 3.13Å; T101-I105 PolarHBondContact N-O 3.32Å; T101-I105 PolarHBondContact OG1-N 3.02Å; T101-I105 PolarHBondContact OG1-O 3.43Å; D103-I105 HydrophobicContact CB-CD1 4.39Å; D103-I105 HydrophobicContact CB-CG1 4.35Å; I105-M107 PolarHBondContact O-N 3.23Å; I105-F109 HydrophobicContact CG2-CD1 3.91Å; I105-Q110 HydrophobicContact CB-CB 4.32Å; I105-Q110 HydrophobicContact CG2-CB 3.85Å; I105-L114 HydrophobicContact CD1-CD2 3.42Å; I105-L114 VanDerWaalsContact CD1-CD2 3.42Å; I105-M154 HydrophobicContact CB-SD 4.47Å; I105-M154 HydrophobicContact CG2-CE 4.11Å; I105-M154 HydrophobicContact CG2-SD 3.67Å; I105-K271 HydrophobicContact CD1-CG 4.09Å
106E98.4Very high97.7Very high0 Ų034.8 Ų34.80%019%0.187CC..BIsolated β-bridgetrans-58.5130.1175.9-168.5-79.2130.100110.7R98 A108 F109 Q110 M154 Q164R98-E106 HydrophobicContact CG-CG 4.17Å; E106-A108 VanDerWaalsContact CD-N 3.35Å; E106-A108 PolarHBondContact O-N 3.1Å; E106-A108 WeakPolarHBondContact OE1-CB 3.32Å; E106-A108 PolarHBondContact OE1-N 2.77Å; E106-A108 PolarHBondContact OE2-N 3.05Å; E106-F109 HydrophobicContact CB-CB 4.32Å; E106-F109 PolarHBondContact O-N 3.16Å; E106-F109 WeakPolarHBondContact OE2-CB 3.33Å; E106-F109 PolarHBondContact OE2-N 2.8Å; E106-Q110 PolarHBondContact O-N 2.93Å; E106-M154 HydrophobicContact CB-CB 4.4Å; E106-M154 HydrophobicContact CB-SD 4.21Å; E106-Q164 HydrophobicContact CG-CG 4.46Å; E106-Q164 WeakPolarHBondContact OE2-CG 3.27Å; E106-Q164 PolarHBondContact OE2-NE2 2.61Å
107M98.4Very high98.1Very high25 Ų2530.5 Ų30.512%0.12316%0.16CC..Hα-helixtrans-58.5-45.1-167.417866.67400113.4A65 V93 L95 E99 T101 I105 V111A65-M107 HydrophobicContact CB-CE 3.96Å; A65-M107 HydrophobicContact CB-SD 3.62Å; V93-M107 HydrophobicContact CG2-CG 4.25Å; L95-M107 HydrophobicContact CD1-CB 3.61Å; L95-M107 HydrophobicContact CD1-CG 3.41Å; L95-M107 VanDerWaalsContact CD1-CG 3.41Å; E99-M107 HydrophobicContact CB-CB 3.96Å; E99-M107 WeakPolarHBondContact O-CB 3.16Å; E99-M107 PolarHBondContact O-N 3.41Å; T101-M107 HydrophobicContact CG2-CB 4.31Å; T101-M107 HydrophobicContact CG2-CE 3.92Å; T101-M107 HydrophobicContact CG2-SD 3.72Å; I105-M107 PolarHBondContact O-N 3.23Å; M107-V111 WeakPolarHBondContact O-CB 3.23Å; M107-V111 WeakPolarHBondContact O-CG2 3.45Å; M107-V111 PolarHBondContact O-N 2.94Å; M107-V111 HydrophobicContact SD-CG2 3.78Å
108A97.8Very high98.3Very high1 Ų123.5 Ų23.51%0.00813%0.127CC..Hα-helixtrans-67.6-44.3178.300000111.2V93 E106 Q110 V111 N112 T168V93-A108 HydrophobicContact CG2-CB 4.21Å; E106-A108 VanDerWaalsContact CD-N 3.35Å; E106-A108 PolarHBondContact O-N 3.1Å; E106-A108 WeakPolarHBondContact OE1-CB 3.32Å; E106-A108 PolarHBondContact OE1-N 2.77Å; E106-A108 PolarHBondContact OE2-N 3.05Å; A108-Q110 VanDerWaalsContact C-N 3.3Å; A108-Q110 PolarHBondContact O-N 2.9Å; A108-V111 PolarHBondContact O-N 3.38Å; A108-N112 WeakPolarHBondContact O-CB 3.4Å; A108-N112 PolarHBondContact O-N 3.28Å; A108-T168 HydrophobicContact CB-CG2 4.01Å
109F98.6Very high98.4Very high3 Ų320 Ų201%0.01311%0.114CC..Hα-helixtrans-58-44.5176.8-175.4-90.7000111.4I105 E106 H113 L114 M154 T168 L260 L267I105-F109 HydrophobicContact CG2-CD1 3.91Å; E106-F109 HydrophobicContact CB-CB 4.32Å; E106-F109 PolarHBondContact O-N 3.16Å; E106-F109 WeakPolarHBondContact OE2-CB 3.33Å; E106-F109 PolarHBondContact OE2-N 2.8Å; F109-H113 AromaticContact CE2-CD2 3.94Å; F109-H113 AromaticContact CZ-CD2 3.65Å; F109-H113 WeakPolarHBondContact O-CB 3.25Å; F109-H113 PolarHBondContact O-N 3.41Å; F109-L114 HydrophobicContact CD1-CB 4.43Å; F109-L114 HydrophobicContact CE1-CB 4.26Å; F109-L114 PolarHBondContact O-N 2.87Å; F109-M154 HydrophobicContact CD1-CE 3.76Å; F109-M154 HydrophobicContact CD1-SD 4.22Å; F109-M154 HydrophobicContact CE1-CE 3.74Å; F109-M154 HydrophobicContact CG-CE 4.4Å; F109-M154 HydrophobicContact CZ-CE 4.36Å; F109-T168 HydrophobicContact CB-CG2 4.35Å; F109-L260 HydrophobicContact CE2-CD1 4.43Å; F109-L260 HydrophobicContact CZ-CD1 4.41Å; F109-L267 HydrophobicContact CE1-CD1 3.78Å; F109-L267 HydrophobicContact CZ-CD1 4.33Å
110Q98.7Very high98.4Very high0 Ų015.8 Ų15.80%09%0.094CC..Iπ-helixtrans-66.5-54.3179-173.8170.8-39.900112.3F64 A65 M67 T101 D103 I105 E106 A108 L114 A115F64-Q110 PolarHBondContact O-NE2 2.9Å; A65-Q110 PolarHBondContact O-NE2 3.42Å; M67-Q110 HydrophobicContact CG-CG 4.37Å; M67-Q110 HydrophobicContact SD-CG 3.94Å; T101-Q110 HydrophobicContact CG2-CB 3.98Å; T101-Q110 HydrophobicContact CG2-CG 4.28Å; T101-Q110 PolarHBondContact OG1-OE1 3.27Å; D103-Q110 PolarHBondContact OD2-NE2 3.4Å; D103-Q110 PolarHBondContact OD2-OE1 3.11Å; I105-Q110 HydrophobicContact CB-CB 4.32Å; I105-Q110 HydrophobicContact CG2-CB 3.85Å; E106-Q110 PolarHBondContact O-N 2.93Å; A108-Q110 VanDerWaalsContact C-N 3.3Å; A108-Q110 PolarHBondContact O-N 2.9Å; Q110-L114 PolarHBondContact O-N 2.98Å; Q110-A115 WeakPolarHBondContact O-CB 3.46Å; Q110-A115 PolarHBondContact O-N 2.91Å
111V98.6Very high98.5Very high5 Ų512.3 Ų12.33%0.038%0.079CC..Iπ-helixtrans-70.2-41.2-173.3173.70000111.8F64 A65 V93 M107 A108 H116F64-V111 HydrophobicContact CB-CB 4.47Å; F64-V111 HydrophobicContact CB-CG1 4.21Å; F64-V111 HydrophobicContact CB-CG2 4.24Å; A65-V111 HydrophobicContact CB-CG2 4.29Å; V93-V111 HydrophobicContact CG1-CG1 4.13Å; V93-V111 HydrophobicContact CG2-CB 4.04Å; V93-V111 HydrophobicContact CG2-CG1 4.26Å; V93-V111 HydrophobicContact CG2-CG2 4.48Å; M107-V111 WeakPolarHBondContact O-CB 3.23Å; M107-V111 WeakPolarHBondContact O-CG2 3.45Å; M107-V111 PolarHBondContact O-N 2.94Å; M107-V111 HydrophobicContact SD-CG2 3.78Å; A108-V111 PolarHBondContact O-N 3.38Å; V111-H116 PolarHBondContact O-CE1 3.29Å; V111-H116 PolarHBondContact O-ND1 3.37Å
112N98.5Very high98.5Very high0 Ų013.6 Ų13.60%09%0.085CC..Iπ-helixtrans-78.4-36.9-173.9-59.3-3.1000111.6G92 V93 A108 H116 T168 N172G92-N112 WeakPolarHBondContact CA-OD1 3.33Å; V93-N112 PolarHBondContact N-OD1 3.38Å; V93-N112 PolarHBondContact O-ND2 2.68Å; V93-N112 PolarHBondContact O-OD1 3.05Å; A108-N112 WeakPolarHBondContact O-CB 3.4Å; A108-N112 PolarHBondContact O-N 3.28Å; N112-H116 PolarHBondContact O-ND1 3.49Å; N112-T168 PolarHBondContact ND2-OG1 3.43Å; N112-N172 PolarHBondContact O-ND2 3.5Å; N112-N172 PolarHBondContact O-OD1 2.86Å; N112-N172 VanDerWaalsContact O-OD1 3.11Å
113H98.7Very high98.5Very high1 Ų18 Ų81%0.0055%0.051CC..Iπ-helixtrans-119.5-64.8-171.3171.273.4000113F109 A115 H116 F117 A171 S264F109-H113 AromaticContact CE2-CD2 3.94Å; F109-H113 AromaticContact CZ-CD2 3.65Å; F109-H113 WeakPolarHBondContact O-CB 3.25Å; F109-H113 PolarHBondContact O-N 3.41Å; H113-A115 PolarHBondContact O-N 2.76Å; H113-H116 PolarHBondContact O-N 3.46Å; H113-H116 VanDerWaalsContact O-N 3.1Å; H113-F117 WeakPolarHBondContact O-CB 3.4Å; H113-F117 PolarHBondContact O-N 3.38Å; H113-A171 HydrophobicContact CB-CB 4.12Å; H113-S264 PolarHBondContact NE2-OG 3.1Å
114L98.8Very high98.6Very high0 Ų07.8 Ų7.80%05%0.05CC..Iπ-helixtrans-62.2-40.9-166.3-168.367.2000113.4M67 I105 F109 Q110 H116 F117 A118 L267M67-L114 HydrophobicContact CE-CD2 4.15Å; M67-L114 HydrophobicContact CE-CG 3.97Å; M67-L114 HydrophobicContact CG-CD2 4.5Å; M67-L114 HydrophobicContact SD-CD2 4.07Å; M67-L114 HydrophobicContact SD-CG 4.18Å; I105-L114 HydrophobicContact CD1-CD2 3.42Å; I105-L114 VanDerWaalsContact CD1-CD2 3.42Å; F109-L114 HydrophobicContact CD1-CB 4.43Å; F109-L114 HydrophobicContact CE1-CB 4.26Å; F109-L114 PolarHBondContact O-N 2.87Å; Q110-L114 PolarHBondContact O-N 2.98Å; L114-H116 PolarHBondContact O-N 2.79Å; L114-F117 WeakPolarHBondContact O-CB 3.44Å; L114-F117 PolarHBondContact O-N 3.38Å; L114-A118 WeakPolarHBondContact O-CB 3.41Å; L114-A118 PolarHBondContact O-N 3Å; L114-L267 HydrophobicContact CD1-CB 4.01Å; L114-L267 HydrophobicContact CD1-CD1 4.43Å; L114-L267 HydrophobicContact CD2-CB 4Å
115A98.9Very high98.6Very high0 Ų09.4 Ų9.40%05%0.05CC..Hα-helixtrans-63.8-40.2177.300000112F64 I70 Q110 H113 L119F64-A115 HydrophobicContact CB-CB 3.75Å; F64-A115 HydrophobicContact CD1-CB 4.34Å; F64-A115 HydrophobicContact CD2-CB 3.54Å; F64-A115 HydrophobicContact CE2-CB 4.17Å; F64-A115 HydrophobicContact CG-CB 3.64Å; I70-A115 HydrophobicContact CD1-CB 3.9Å; I70-A115 HydrophobicContact CG1-CB 4.48Å; Q110-A115 WeakPolarHBondContact O-CB 3.46Å; Q110-A115 PolarHBondContact O-N 2.91Å; H113-A115 PolarHBondContact O-N 2.76Å; A115-L119 VanDerWaalsContact O-CB 3.23Å; A115-L119 WeakPolarHBondContact O-CB 3.46Å; A115-L119 PolarHBondContact O-N 3.47Å
116H98.8Very high98.6Very high0 Ų09.3 Ų9.30%05%0.049CC..Hα-helixtrans-68.1-44.8174.4-69107000111.9T9 F64 C89 A91 V111 N112 H113 L114 A118 L119 V120T9-H116 PolarHBondContact OG1-NE2 3.19Å; F64-H116 AromaticContact CE2-CD2 3.78Å; F64-H116 AromaticContact CE2-CE1 3.81Å; F64-H116 AromaticContact CE2-NE2 3.49Å; F64-H116 WeakPolarHBondContact CE2-NE2 3.36Å; C89-H116 HydrophobicContact CB-CB 4.24Å; C89-H116 WeakPolarHBondContact CB-CD2 3.04Å; A91-H116 PolarHBondContact O-CE1 3.43Å; V111-H116 PolarHBondContact O-CE1 3.29Å; V111-H116 PolarHBondContact O-ND1 3.37Å; N112-H116 PolarHBondContact O-ND1 3.49Å; H113-H116 PolarHBondContact O-N 3.46Å; H113-H116 VanDerWaalsContact O-N 3.1Å; L114-H116 PolarHBondContact O-N 2.79Å; H116-A118 VanDerWaalsContact C-N 3.28Å; H116-A118 PolarHBondContact O-N 3.2Å; H116-L119 PolarHBondContact O-N 2.86Å; H116-V120 WeakPolarHBondContact O-CB 3.29Å; H116-V120 VanDerWaalsContact O-CG2 3.29Å; H116-V120 WeakPolarHBondContact O-CG2 3.35Å; H116-V120 PolarHBondContact O-N 2.84Å
117F98.9Very high98.6Very high1 Ų19.3 Ų9.30%0.0045%0.049CC..Hα-helixtrans-52.4-50.7175.6175.8-87.9000110.4H113 L114 N121 F175 W261 V265 L275H113-F117 WeakPolarHBondContact O-CB 3.4Å; H113-F117 PolarHBondContact O-N 3.38Å; L114-F117 WeakPolarHBondContact O-CB 3.44Å; L114-F117 PolarHBondContact O-N 3.38Å; F117-N121 WeakPolarHBondContact O-CB 3.31Å; F117-N121 PolarHBondContact O-N 2.79Å; F117-N121 PolarHBondContact O-ND2 3.23Å; F117-F175 HydrophobicContact CB-CE2 4.49Å; F117-F175 AromaticContact CD2-CD2 3.46Å; F117-F175 HydrophobicContact CD2-CD2 3.46Å; F117-F175 VanDerWaalsContact CD2-CD2 3.46Å; F117-F175 AromaticContact CD2-CE2 3.7Å; F117-F175 HydrophobicContact CD2-CE2 3.7Å; F117-F175 HydrophobicContact CD2-CG 4.27Å; F117-F175 HydrophobicContact CE2-CD2 4.07Å; F117-F175 HydrophobicContact CE2-CE2 4.31Å; F117-F175 HydrophobicContact CG-CD2 4.44Å; F117-F175 HydrophobicContact CG-CE2 4.42Å; F117-W261 AromaticContact CE2-CD2 3.7Å; F117-W261 HydrophobicContact CE2-CD2 3.7Å; F117-W261 AromaticContact CE2-CE2 3.99Å; F117-W261 AromaticContact CE2-CE3 3.57Å; F117-W261 HydrophobicContact CE2-CE3 3.57Å; F117-W261 HydrophobicContact CE2-CG 4.29Å; F117-W261 HydrophobicContact CE2-CH2 4.04Å; F117-W261 HydrophobicContact CE2-CZ2 4.16Å; F117-W261 AromaticContact CE2-CZ3 3.75Å; F117-W261 HydrophobicContact CE2-CZ3 3.75Å; F117-W261 AromaticContact CZ-CD2 3.97Å; F117-W261 HydrophobicContact CZ-CD2 3.97Å; F117-W261 AromaticContact CZ-CE2 3.87Å; F117-W261 HydrophobicContact CZ-CE3 4.29Å; F117-W261 HydrophobicContact CZ-CG 4.38Å; F117-W261 HydrophobicContact CZ-CH2 4.39Å; F117-W261 HydrophobicContact CZ-CZ2 4.09Å; F117-W261 HydrophobicContact CZ-CZ3 4.49Å; F117-V265 HydrophobicContact CE1-CG2 4.01Å; F117-V265 HydrophobicContact CZ-CG2 3.72Å; F117-L275 HydrophobicContact CD1-CD1 3.96Å; F117-L275 HydrophobicContact CE1-CD1 3.58Å
118A98.9Very high98.5Very high0 Ų012 Ų120%06%0.06CC..Hα-helixtrans-63.5-52.717800000112.8M67 I70 L114 H116 V120 N121 L122 V273 L275M67-A118 HydrophobicContact CE-CB 3.8Å; I70-A118 HydrophobicContact CB-CB 4.45Å; I70-A118 HydrophobicContact CG2-CB 3.68Å; L114-A118 WeakPolarHBondContact O-CB 3.41Å; L114-A118 PolarHBondContact O-N 3Å; H116-A118 VanDerWaalsContact C-N 3.28Å; H116-A118 PolarHBondContact O-N 3.2Å; A118-V120 VanDerWaalsContact C-N 3.34Å; A118-V120 PolarHBondContact O-N 3.48Å; A118-N121 PolarHBondContact O-N 2.94Å; A118-L122 WeakPolarHBondContact O-CG 3.39Å; A118-L122 PolarHBondContact O-N 3.11Å; A118-V273 HydrophobicContact CB-CG1 4.04Å; A118-L275 HydrophobicContact CB-CD1 4.46Å
119L98.9Very high98.5Very high0 Ų018.8 Ų18.80%09%0.086CC..Hα-helixtrans-58.6-46.3-176.4177.964.6000111.7L7 T9 F64 I70 M73 A74 I77 A115 H116 L122 L123L7-L119 HydrophobicContact CD2-CD2 4.14Å; T9-L119 HydrophobicContact CG2-CD2 4.11Å; F64-L119 HydrophobicContact CE1-CD2 4.48Å; F64-L119 HydrophobicContact CZ-CD2 3.83Å; I70-L119 HydrophobicContact CG2-CB 3.91Å; I70-L119 HydrophobicContact CG2-CD1 4.48Å; M73-L119 HydrophobicContact CE-CD1 4.17Å; M73-L119 HydrophobicContact CE-CD2 3.57Å; M73-L119 HydrophobicContact CG-CD1 4.13Å; M73-L119 HydrophobicContact SD-CD1 4.1Å; M73-L119 HydrophobicContact SD-CD2 4.11Å; A74-L119 HydrophobicContact CB-CD1 4.31Å; I77-L119 HydrophobicContact CD1-CD1 4.28Å; A115-L119 VanDerWaalsContact O-CB 3.23Å; A115-L119 WeakPolarHBondContact O-CB 3.46Å; A115-L119 PolarHBondContact O-N 3.47Å; H116-L119 PolarHBondContact O-N 2.86Å; L119-L122 PolarHBondContact O-N 2.91Å; L119-L123 HydrophobicContact CD1-CD1 3.73Å; L119-L123 HydrophobicContact CD1-CG 4.34Å; L119-L123 HydrophobicContact CG-CD1 3.99Å; L119-L123 WeakPolarHBondContact O-CG 3.48Å; L119-L123 PolarHBondContact O-N 3.38Å; L119-L123 VanDerWaalsContact O-N 3.14Å
120V98.9Very high98.4Very high0 Ų020.3 Ų20.30%09%0.094CC..Hα-helixtrans-64.2-47.9-179.6169.90000110.6C89 H116 A118 L122 L123 L124 I135 F175 L179C89-V120 VanDerWaalsContact SG-CG2 3.53Å; H116-V120 WeakPolarHBondContact O-CB 3.29Å; H116-V120 VanDerWaalsContact O-CG2 3.29Å; H116-V120 WeakPolarHBondContact O-CG2 3.35Å; H116-V120 PolarHBondContact O-N 2.84Å; A118-V120 VanDerWaalsContact C-N 3.34Å; A118-V120 PolarHBondContact O-N 3.48Å; V120-L122 VanDerWaalsContact C-N 3.28Å; V120-L122 PolarHBondContact O-N 3.37Å; V120-L123 CarbonylContact O-C 3.57Å; V120-L123 PolarHBondContact O-N 3.42Å; V120-L124 HydrophobicContact CG1-CD2 4.09Å; V120-L124 WeakPolarHBondContact O-CG 3.41Å; V120-L124 PolarHBondContact O-N 3.11Å; V120-L124 VanDerWaalsContact O-N 3.1Å; V120-I135 HydrophobicContact CG1-CD1 3.65Å; V120-I135 HydrophobicContact CG1-CG1 4.38Å; V120-I135 HydrophobicContact CG1-CG2 4.33Å; V120-I135 HydrophobicContact CG2-CG2 4.25Å; V120-F175 HydrophobicContact CB-CZ 3.9Å; V120-F175 HydrophobicContact CG1-CZ 3.94Å; V120-F175 HydrophobicContact CG2-CZ 4.21Å; V120-L179 HydrophobicContact CG1-CD2 3.48Å; V120-L179 VanDerWaalsContact CG1-CD2 3.48Å
121N98.8Very high98.3Very high31 Ų3126.5 Ų26.517%0.16612%0.121CC..Hα-helixtrans-58.1-41.6178.3-83.8-70.4000111.8F117 A118 L123 L124 W261 L275F117-N121 WeakPolarHBondContact O-CB 3.31Å; F117-N121 PolarHBondContact O-N 2.79Å; F117-N121 PolarHBondContact O-ND2 3.23Å; A118-N121 PolarHBondContact O-N 2.94Å; N121-L123 VanDerWaalsContact C-N 3.26Å; N121-L123 PolarHBondContact O-N 2.88Å; N121-L124 PolarHBondContact O-N 2.88Å; N121-W261 WeakPolarHBondContact OD1-CH2 3.45Å; N121-W261 WeakPolarHBondContact OD1-CZ2 3.18Å; N121-L275 HydrophobicContact CB-CD1 4.35Å; N121-L275 HydrophobicContact CB-CD2 3.82Å
122L98.7Very high98.2Very high36 Ų3631 Ų3119%0.18815%0.15CC..Hα-helixtrans-66.1-24.9176.5-69.1175.7000113.6I70 P71 A74 K78 A118 L119 V120 V273 L275I70-L122 HydrophobicContact CG2-CD1 4.05Å; P71-L122 HydrophobicContact CG-CD1 4.45Å; A74-L122 HydrophobicContact CB-CB 3.7Å; A74-L122 HydrophobicContact CB-CD1 3.81Å; A74-L122 HydrophobicContact CB-CG 4.42Å; K78-L122 WeakPolarHBondContact CE-O 3.42Å; K78-L122 PolarHBondContact NZ-O 2.93Å; A118-L122 WeakPolarHBondContact O-CG 3.39Å; A118-L122 PolarHBondContact O-N 3.11Å; L119-L122 PolarHBondContact O-N 2.91Å; V120-L122 VanDerWaalsContact C-N 3.28Å; V120-L122 PolarHBondContact O-N 3.37Å; L122-V273 HydrophobicContact CD1-CG1 4.02Å; L122-L275 HydrophobicContact CD2-CD2 3.83Å; L122-L275 HydrophobicContact CG-CD2 4.01Å
123L98.7Very high98.1Very high0 Ų031 Ų310%015%0.15CC..Hα-helixtrans-99.40-178.3-67.8174.9000113.9L7 A74 I77 K78 L84 I87 L119 V120 N121 D125 T126 L127L7-L123 HydrophobicContact CD2-CD1 4.43Å; A74-L123 HydrophobicContact CB-CD2 4.24Å; A74-L123 HydrophobicContact CB-CG 4.43Å; I77-L123 HydrophobicContact CB-CD2 4.1Å; I77-L123 HydrophobicContact CD1-CD1 4.01Å; I77-L123 HydrophobicContact CG2-CD1 4.13Å; I77-L123 HydrophobicContact CG2-CD2 3.72Å; K78-L123 HydrophobicContact CG-CD2 3.94Å; L84-L123 HydrophobicContact CD2-CD1 4.15Å; I87-L123 HydrophobicContact CD1-CB 4.08Å; I87-L123 HydrophobicContact CD1-CD1 3.65Å; L119-L123 HydrophobicContact CD1-CD1 3.73Å; L119-L123 HydrophobicContact CD1-CG 4.34Å; L119-L123 HydrophobicContact CG-CD1 3.99Å; L119-L123 WeakPolarHBondContact O-CG 3.48Å; L119-L123 PolarHBondContact O-N 3.38Å; L119-L123 VanDerWaalsContact O-N 3.14Å; V120-L123 CarbonylContact O-C 3.57Å; V120-L123 PolarHBondContact O-N 3.42Å; N121-L123 VanDerWaalsContact C-N 3.26Å; N121-L123 PolarHBondContact O-N 2.88Å; L123-D125 VanDerWaalsContact C-N 3.28Å; L123-D125 PolarHBondContact O-N 3.41Å; L123-T126 WeakPolarHBondContact O-CB 3.36Å; L123-T126 PolarHBondContact O-N 2.91Å; L123-T126 VanDerWaalsContact O-N 3.08Å; L123-L127 PolarHBondContact O-N 2.84Å
124L98.5Very high98.1Very high20 Ų2031.8 Ų31.811%0.10515%0.153CC..Hα-helixtrans-59.3-37.1-177.6-72.7-176.1000113.2V120 N121 T126 L127 K128 I135 L179 L183V120-L124 HydrophobicContact CG1-CD2 4.09Å; V120-L124 WeakPolarHBondContact O-CG 3.41Å; V120-L124 PolarHBondContact O-N 3.11Å; V120-L124 VanDerWaalsContact O-N 3.1Å; N121-L124 PolarHBondContact O-N 2.88Å; L124-T126 VanDerWaalsContact C-N 3.27Å; L124-T126 PolarHBondContact O-N 3.5Å; L124-L127 PolarHBondContact O-N 3.2Å; L124-K128 VanDerWaalsContact O-CB 3.25Å; L124-K128 WeakPolarHBondContact O-CB 3.43Å; L124-K128 WeakPolarHBondContact O-CD 3.41Å; L124-K128 WeakPolarHBondContact O-CG 3.44Å; L124-K128 PolarHBondContact O-N 3.44Å; L124-I135 HydrophobicContact CD2-CD1 4.04Å; L124-L179 HydrophobicContact CD1-CD1 4Å; L124-L179 HydrophobicContact CD2-CD1 4.24Å; L124-L183 HydrophobicContact CD1-CD2 4.41Å; L124-L183 HydrophobicContact CD2-CD2 3.89Å
125D97.5Very high98.1Very high72 Ų7231.8 Ų31.839%0.38515%0.153SC..Hα-helixtrans-59.4-40.2176.363.9-23.4000112.2K78 L123 R129K78-D125 WeakPolarHBondContact CE-OD1 3.46Å; K78-D125 IonicContact NZ-OD1 2.83Å; K78-D125 PolarHBondContact NZ-OD1 3.5Å; K78-D125 IonicContact NZ-OD2 3.2Å; K78-D125 PolarHBondContact NZ-OD2 3.25Å; L123-D125 VanDerWaalsContact C-N 3.28Å; L123-D125 PolarHBondContact O-N 3.41Å; D125-R129 WeakPolarHBondContact O-CB 3.46Å; D125-R129 PolarHBondContact O-N 3.15Å
126T98Very high98.1Very high0 Ų031.9 Ų31.90%015%0.153CC..Hα-helixtrans-71.4-46.3-179.7-58.60000110.8L84 L123 L124 K128 R129 N130L84-T126 HydrophobicContact CB-CG2 4.18Å; L123-T126 WeakPolarHBondContact O-CB 3.36Å; L123-T126 PolarHBondContact O-N 2.91Å; L123-T126 VanDerWaalsContact O-N 3.08Å; L124-T126 VanDerWaalsContact C-N 3.27Å; L124-T126 PolarHBondContact O-N 3.5Å; T126-K128 PolarHBondContact O-N 3.34Å; T126-R129 PolarHBondContact O-N 2.99Å; T126-R129 PolarHBondContact OG1-NH2 3.35Å; T126-R129 VanDerWaalsContact OG1-NH2 3.08Å; T126-N130 WeakPolarHBondContact O-CB 3.23Å; T126-N130 VanDerWaalsContact O-CG 3.32Å; T126-N130 PolarHBondContact O-N 2.88Å; T126-N130 PolarHBondContact O-ND2 2.79Å
127L98.4Very high98.1Very high0 Ų031.9 Ų31.90%015%0.153CC..Hα-helixtrans-63.3-40.4175.7-63.7173.7000111.9L84 I87 L123 L124 R129 N130 K131 S133 I135 V188L84-L127 HydrophobicContact CD2-CD2 4.26Å; L84-L127 HydrophobicContact CG-CD2 4.19Å; I87-L127 HydrophobicContact CD1-CD1 3.87Å; I87-L127 HydrophobicContact CD1-CD2 4.49Å; I87-L127 HydrophobicContact CG1-CD1 4.33Å; I87-L127 HydrophobicContact CG1-CD2 4.31Å; L123-L127 PolarHBondContact O-N 2.84Å; L124-L127 PolarHBondContact O-N 3.2Å; L127-R129 PolarHBondContact O-N 3.36Å; L127-N130 CarbonylContact O-C 3.41Å; L127-N130 PolarHBondContact O-N 3.37Å; L127-K131 PolarHBondContact O-N 2.91Å; L127-K131 VanDerWaalsContact O-N 3.15Å; L127-S133 VanDerWaalsContact O-CB 3.3Å; L127-S133 WeakPolarHBondContact O-CB 3.4Å; L127-S133 PolarHBondContact O-OG 3.2Å; L127-I135 HydrophobicContact CD1-CD1 3.71Å; L127-I135 HydrophobicContact CD1-CG1 3.66Å; L127-V188 HydrophobicContact CB-CG1 4.13Å; L127-V188 HydrophobicContact CB-CG2 4.1Å; L127-V188 HydrophobicContact CD1-CG1 4.42Å
128K98.1Very high98.1Very high81 Ų8132 Ų3235%0.35216%0.155SC..Hα-helixtrans-65.2-38.5177-74170.3-179.7-179.90112.3L124 T126 N130 K131 V188L124-K128 VanDerWaalsContact O-CB 3.25Å; L124-K128 WeakPolarHBondContact O-CB 3.43Å; L124-K128 WeakPolarHBondContact O-CD 3.41Å; L124-K128 WeakPolarHBondContact O-CG 3.44Å; L124-K128 PolarHBondContact O-N 3.44Å; T126-K128 PolarHBondContact O-N 3.34Å; K128-N130 VanDerWaalsContact C-N 3.33Å; K128-K131 WeakPolarHBondContact O-CG 3.42Å; K128-V188 HydrophobicContact CB-CG2 4.35Å; K128-V188 HydrophobicContact CG-CG2 3.72Å
129R97.4Very high97.9Very high145 Ų14532.1 Ų32.155%0.54716%0.155SC..Hα-helixtrans-65.1-38.9174.4176.117352.9-116.4-3111.5D125 T126 L127 K131D125-R129 WeakPolarHBondContact O-CB 3.46Å; D125-R129 PolarHBondContact O-N 3.15Å; T126-R129 PolarHBondContact O-N 2.99Å; T126-R129 PolarHBondContact OG1-NH2 3.35Å; T126-R129 VanDerWaalsContact OG1-NH2 3.08Å; L127-R129 PolarHBondContact O-N 3.36Å; R129-K131 VanDerWaalsContact C-N 3.33Å; R129-K131 PolarHBondContact O-N 3.4Å
130N96.9Very high97.6Very high34 Ų3432.8 Ų32.818%0.18216%0.16CC..THydrogen-bonded Turntrans-95.726.4-177.5-59-23.4000113T82 D83 L84 T85 T126 L127 K128 S133T82-N130 PolarHBondContact O-ND2 3Å; T82-N130 PolarHBondContact O-OD1 3.41Å; D83-N130 VanDerWaalsContact C-ND2 3.25Å; D83-N130 WeakPolarHBondContact CA-ND2 3.17Å; L84-N130 PolarHBondContact N-ND2 3.46Å; L84-N130 WeakPolarHBondContact O-CB 3.43Å; L84-N130 PolarHBondContact O-ND2 3.5Å; T85-N130 HydrophobicContact CG2-CB 4.06Å; T126-N130 WeakPolarHBondContact O-CB 3.23Å; T126-N130 VanDerWaalsContact O-CG 3.32Å; T126-N130 PolarHBondContact O-N 2.88Å; T126-N130 PolarHBondContact O-ND2 2.79Å; L127-N130 CarbonylContact O-C 3.41Å; L127-N130 PolarHBondContact O-N 3.37Å; K128-N130 VanDerWaalsContact C-N 3.33Å; N130-S133 PolarHBondContact O-OG 2.83Å
131K94.9Very high97.2Very high131 Ų13136.7 Ų36.757%0.5718%0.18SC*.  trans-60146.3178.766.5-174179.1-177.50111.4L127 K128 R129 T186L127-K131 PolarHBondContact O-N 2.91Å; L127-K131 VanDerWaalsContact O-N 3.15Å; K128-K131 WeakPolarHBondContact O-CG 3.42Å; R129-K131 VanDerWaalsContact C-N 3.33Å; R129-K131 PolarHBondContact O-N 3.4Å; K131-T186 VanDerWaalsContact CD-O 3.26Å; K131-T186 WeakPolarHBondContact CD-O 3.26Å
132P96.5Very high96.9Very high99 Ų9935.4 Ų35.464%0.64317%0.173SC*.SBendcis-71.9133.80.330.4-34.6000112G187P132-G187 WeakPolarHBondContact CA-O 3.24Å
133S98.1Very high96.7Very high1 Ų134.4 Ų34.41%0.00717%0.167CC..EExtended strand (participates in β ladder)trans-130152.8-178.4-800000111.7T85 L127 N130 G187 V188 T189T85-S133 WeakPolarHBondContact CA-OG 3.42Å; T85-S133 CarbonylContact O-C 3.38Å; T85-S133 WeakPolarHBondContact O-CA 3.48Å; T85-S133 WeakPolarHBondContact O-CB 3.34Å; T85-S133 PolarHBondContact O-OG 2.65Å; L127-S133 VanDerWaalsContact O-CB 3.3Å; L127-S133 WeakPolarHBondContact O-CB 3.4Å; L127-S133 PolarHBondContact O-OG 3.2Å; N130-S133 PolarHBondContact O-OG 2.83Å; S133-G187 PolarHBondContact N-O 3.43Å; S133-G187 VanDerWaalsContact N-O 3.11Å; S133-V188 CarbonylContact O-C 3.58Å; S133-V188 VanDerWaalsContact O-CA 3.26Å; S133-V188 WeakPolarHBondContact O-CA 3.29Å; S133-T189 PolarHBondContact O-N 3.01Å
134R98.6Very high96.5Very high17 Ų1738 Ų386%0.06419%0.187CC..EExtended strand (participates in β ladder)trans-136.4130.2-170.4-54-170.7-168.1174.75.2112.9T85 A86 I87 L224 V225 S227 A231T85-R134 PolarHBondContact O-N 3.2Å; A86-R134 CarbonylContact C-O 3.55Å; A86-R134 WeakPolarHBondContact CA-O 3.46Å; A86-R134 WeakPolarHBondContact CB-O 3.38Å; I87-R134 PolarHBondContact N-O 2.83Å; R134-L224 WeakPolarHBondContact CD-O 3.42Å; R134-L224 PolarHBondContact NH1-O 3.33Å; R134-V225 PolarHBondContact NH1-O 3.21Å; R134-S227 PolarHBondContact NH1-O 2.73Å; R134-S227 PolarHBondContact NH2-O 3.43Å; R134-A231 VanDerWaalsContact NH2-CA 3.28Å; R134-A231 VanDerWaalsContact NH2-CB 3.31Å
135I98.9Very high96.4Very high0 Ų043.2 Ų43.20%021%0.205CC..EExtended strand (participates in β ladder)trans-110.3128.2174-59.5156.3000107.4I87 V120 L124 L127 V137 L179 L183 V188 T189 C190 N191I87-I135 WeakPolarHBondContact O-CA 3.5Å; V120-I135 HydrophobicContact CG1-CD1 3.65Å; V120-I135 HydrophobicContact CG1-CG1 4.38Å; V120-I135 HydrophobicContact CG1-CG2 4.33Å; V120-I135 HydrophobicContact CG2-CG2 4.25Å; L124-I135 HydrophobicContact CD2-CD1 4.04Å; L127-I135 HydrophobicContact CD1-CD1 3.71Å; L127-I135 HydrophobicContact CD1-CG1 3.66Å; I135-V137 HydrophobicContact CG2-CG2 4.3Å; I135-L179 HydrophobicContact CD1-CD2 3.81Å; I135-L183 HydrophobicContact CD1-CD1 3.95Å; I135-V188 HydrophobicContact CD1-CG1 3.92Å; I135-V188 HydrophobicContact CG1-CG1 4.36Å; I135-T189 PolarHBondContact N-O 3.13Å; I135-C190 HydrophobicContact CB-CB 4.14Å; I135-C190 VanDerWaalsContact O-CA 3.31Å; I135-C190 WeakPolarHBondContact O-CA 3.39Å; I135-N191 PolarHBondContact O-N 3.35Å
136V98.8Very high96.4Very high1 Ų144.2 Ų44.21%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-122.2121.5177.6178.30000108.7I87 V88 C89 N191 Y193 L224 V225I87-V136 PolarHBondContact O-N 3.18Å; V88-V136 CarbonylContact C-O 3.45Å; V88-V136 WeakPolarHBondContact CA-O 3.4Å; C89-V136 PolarHBondContact N-O 3.49Å; V136-N191 WeakPolarHBondContact CA-O 3.06Å; V136-Y193 HydrophobicContact CG1-CD1 3.6Å; V136-Y193 HydrophobicContact CG1-CE1 3.8Å; V136-L224 HydrophobicContact CG1-CB 4.32Å; V136-L224 HydrophobicContact CG1-CD1 3.85Å; V136-L224 HydrophobicContact CG2-CB 3.51Å; V136-L224 HydrophobicContact CG2-CD1 4.33Å; V136-V225 HydrophobicContact CB-CG1 4.29Å; V136-V225 HydrophobicContact CG2-CG1 3.52Å
137V98.8Very high96.4Very high0 Ų052.9 Ų52.90%024%0.236CC..EExtended strand (participates in β ladder)trans-103.1127.6179.8-172.30000110C89 I135 N172 F175 A176 N191 V192 Y193C89-V137 HydrophobicContact CB-CG1 4.42Å; C89-V137 HydrophobicContact CB-CG2 4.38Å; I135-V137 HydrophobicContact CG2-CG2 4.3Å; V137-N172 HydrophobicContact CG1-CB 3.63Å; V137-F175 HydrophobicContact CG2-CD1 4.13Å; V137-F175 HydrophobicContact CG2-CE1 4Å; V137-A176 HydrophobicContact CB-CB 4.33Å; V137-A176 HydrophobicContact CG2-CB 4.06Å; V137-N191 PolarHBondContact N-O 2.91Å; V137-V192 HydrophobicContact CB-CB 4.42Å; V137-V192 HydrophobicContact CB-CG2 4.32Å; V137-V192 WeakPolarHBondContact O-CA 3.17Å; V137-V192 WeakPolarHBondContact O-CG2 3.21Å; V137-Y193 PolarHBondContact O-N 3.46Å
138V97.9Very high96.3Very high5 Ų553.5 Ų53.53%0.0324%0.24CC..EExtended strand (participates in β ladder)trans-88.2119.5178.8-173.60000110.6V88 C89 N90 K169 N172 Y193 P195V88-V138 HydrophobicContact CG1-CG2 4.25Å; C89-V138 WeakPolarHBondContact O-CB 3.48Å; C89-V138 WeakPolarHBondContact O-CG2 3.29Å; C89-V138 PolarHBondContact O-N 3.25Å; N90-V138 HydrophobicContact CB-CG2 3.69Å; V138-K169 PolarHBondContact O-NZ 3.11Å; V138-N172 PolarHBondContact O-ND2 3.33Å; V138-Y193 HydrophobicContact CB-CE1 4.4Å; V138-Y193 HydrophobicContact CG1-CE1 4.48Å; V138-Y193 HydrophobicContact CG2-CE1 3.67Å; V138-P195 HydrophobicContact CG1-CG 4.27Å
139S95.6Very high96.3Very high1 Ų152 Ų521%0.00724%0.235CC..  trans-101.2-146.8175.3-166.80000111.7Y143 K169 H173 Y193S139-Y143 WeakPolarHBondContact OG-CB 3.35Å; S139-K169 PolarHBondContact OG-O 2.78Å; S139-H173 VanDerWaalsContact CB-CD2 3.48Å; S139-H173 WeakPolarHBondContact CB-CD2 3.32Å; S139-H173 WeakPolarHBondContact CB-NE2 3.27Å; S139-H173 PolarHBondContact OG-CD2 2.87Å; S139-H173 PolarHBondContact OG-NE2 3.34Å; S139-Y193 WeakPolarHBondContact CA-O 3.46Å; S139-Y193 WeakPolarHBondContact CB-O 3.32Å; S139-Y193 PolarHBondContact N-O 3.44Å
140S92Very high96.3Very high15 Ų1547.7 Ų47.711%0.10522%0.219CC..  trans-159.9155.1177.5-178.80000109.5C142 Y143S140-C142 PolarHBondContact O-N 2.87Å; S140-C142 PolarHBondContact OG-N 3.46Å; S140-C142 PolarHBondContact OG-SG 3.1Å; S140-Y143 WeakPolarHBondContact O-CB 3.02Å; S140-Y143 WeakPolarHBondContact O-CD1 3.45Å; S140-Y143 PolarHBondContact O-N 3.27Å
141I90.1Very high96.2Very high82 Ų8252.5 Ų52.542%0.42125%0.245SC..THydrogen-bonded Turntrans-56.3-23.3171.1-165.5168000113.2Y143 V197I141-Y143 VanDerWaalsContact C-N 3.34Å; I141-V197 HydrophobicContact CG2-CG2 4.28Å
142C91.6Very high96.3Very high4 Ų446.6 Ų46.63%0.02722%0.219CC..THydrogen-bonded Turntrans-89.910.4179.4710000114S140 D144 W145 Y165 S166S140-C142 PolarHBondContact O-N 2.87Å; S140-C142 PolarHBondContact OG-N 3.46Å; S140-C142 PolarHBondContact OG-SG 3.1Å; C142-D144 PolarHBondContact O-N 3.17Å; C142-D144 VanDerWaalsContact O-N 3.12Å; C142-W145 HydrophobicContact CB-CD2 3.4Å; C142-W145 HydrophobicContact CB-CE3 3.49Å; C142-W145 VanDerWaalsContact CB-CE3 3.49Å; C142-W145 HydrophobicContact CB-CG 3.92Å; C142-W145 HydrophobicContact CB-CH2 4Å; C142-W145 HydrophobicContact CB-CZ2 3.93Å; C142-W145 HydrophobicContact CB-CZ3 3.79Å; C142-W145 PolarHBondContact O-N 3.35Å; C142-Y165 VanDerWaalsContact SG-CD1 3.51Å; C142-Y165 VanDerWaalsContact SG-CE1 3.53Å; C142-S166 WeakPolarHBondContact O-CB 3.43Å; C142-S166 PolarHBondContact O-OG 3.2Å
143Y95.8Very high96.3Very high14 Ų1442.9 Ų42.96%0.05519%0.194CC..THydrogen-bonded Turntrans-60.2-23.5-172.880.9-75.3000113.9S139 S140 I141 L170 H173 F237 S248S139-Y143 WeakPolarHBondContact OG-CB 3.35Å; S140-Y143 WeakPolarHBondContact O-CB 3.02Å; S140-Y143 WeakPolarHBondContact O-CD1 3.45Å; S140-Y143 PolarHBondContact O-N 3.27Å; I141-Y143 VanDerWaalsContact C-N 3.34Å; Y143-L170 HydrophobicContact CD2-CD1 4.25Å; Y143-L170 VanDerWaalsContact O-CB 3.27Å; Y143-L170 WeakPolarHBondContact O-CB 3.46Å; Y143-H173 AromaticContact CD1-CE1 3.98Å; Y143-H173 AromaticContact CD2-CD2 3.78Å; Y143-H173 AromaticContact CD2-CE1 3.37Å; Y143-H173 WeakPolarHBondContact CD2-CE1 3.28Å; Y143-H173 AromaticContact CD2-CG 3.71Å; Y143-H173 AromaticContact CD2-ND1 3.46Å; Y143-H173 WeakPolarHBondContact CD2-ND1 3.38Å; Y143-H173 AromaticContact CD2-NE2 3.59Å; Y143-H173 AromaticContact CE2-CE1 3.38Å; Y143-H173 WeakPolarHBondContact CE2-CE1 3.35Å; Y143-H173 AromaticContact CE2-ND1 3.35Å; Y143-H173 VanDerWaalsContact CE2-ND1 3.35Å; Y143-H173 WeakPolarHBondContact CE2-ND1 3.29Å; Y143-H173 AromaticContact CG-CE1 3.67Å; Y143-H173 AromaticContact CG-NE2 3.57Å; Y143-H173 AromaticContact CZ-CE1 3.72Å; Y143-F237 HydrophobicContact CD1-CZ 4.35Å; Y143-F237 AromaticContact CE1-CE1 3.82Å; Y143-F237 HydrophobicContact CE1-CE1 3.82Å; Y143-F237 AromaticContact CE1-CZ 3.95Å; Y143-F237 HydrophobicContact CE1-CZ 3.95Å; Y143-F237 AromaticContact CZ-CE1 3.89Å; Y143-S248 WeakPolarHBondContact CE2-OG 3.35Å; Y143-S248 WeakPolarHBondContact OH-CB 3.34Å; Y143-S248 PolarHBondContact OH-N 2.89Å
144D94.8Very high96.3Very high77 Ų7744.2 Ų44.241%0.41220%0.201SC..THydrogen-bonded Turntrans-117.49.2-176.665.8-8.6000113.9C142 Y146C142-D144 PolarHBondContact O-N 3.17Å; C142-D144 VanDerWaalsContact O-N 3.12Å; D144-Y146 PolarHBondContact O-N 3.36Å
145W96.3Very high96.2Very high129 Ų12943.5 Ų43.549%0.48920%0.198SC..SBendtrans-63.3-29.3176.6-71.54.7000112.8C142C142-W145 HydrophobicContact CB-CD2 3.4Å; C142-W145 HydrophobicContact CB-CE3 3.49Å; C142-W145 VanDerWaalsContact CB-CE3 3.49Å; C142-W145 HydrophobicContact CB-CG 3.92Å; C142-W145 HydrophobicContact CB-CH2 4Å; C142-W145 HydrophobicContact CB-CZ2 3.93Å; C142-W145 HydrophobicContact CB-CZ3 3.79Å; C142-W145 PolarHBondContact O-N 3.35Å
146Y96.9Very high96Very high92 Ų9249.9 Ų49.936%0.36123%0.229SC..SBendtrans-134135.9179.9-63.4-91.7000110.5D144 A163 S166D144-Y146 PolarHBondContact O-N 3.36Å; Y146-A163 HydrophobicContact CD1-CB 3.79Å; Y146-A163 HydrophobicContact CD2-CB 4.08Å; Y146-A163 HydrophobicContact CE1-CB 3.97Å; Y146-A163 HydrophobicContact CE2-CB 4.24Å; Y146-A163 HydrophobicContact CG-CB 3.84Å; Y146-S166 PolarHBondContact N-OG 2.77Å
147R97.1Very high95.8Very high182 Ų18259.5 Ų59.569%0.68727%0.266SS*.  trans-66.6154.3174-56-168.371.6-177.1-0.7111D149 R167 E250R147-D149 PolarHBondContact O-N 2.96Å; R147-R167 PolarHBondContact O-NE 3.34Å; R147-R167 VanDerWaalsContact O-NE 3.14Å; R147-E250 VanDerWaalsContact CB-OE2 3.26Å; R147-E250 WeakPolarHBondContact CB-OE2 3.25Å; R147-E250 WeakPolarHBondContact CG-OE2 3.46Å; R147-E250 IonicContact CZ-OE2 3.77Å; R147-E250 IonicContact NE-OE2 2.86Å; R147-E250 PolarHBondContact NE-OE2 3.45Å; R147-E250 IonicContact NH2-OE2 3.8Å
148M97.8Very high95.3Very high14 Ų1464.4 Ų64.47%0.06929%0.292CS..  trans-62.7133.5172.9-168.760.470.600110.2W150 L153 R167 L170 A171 E250M148-W150 HydrophobicContact CB-CD2 4.46Å; M148-W150 HydrophobicContact CB-CZ2 3.96Å; M148-W150 HydrophobicContact CG-CD2 3.94Å; M148-W150 HydrophobicContact CG-CE3 4.24Å; M148-W150 HydrophobicContact CG-CG 4.49Å; M148-W150 HydrophobicContact CG-CH2 4.14Å; M148-W150 HydrophobicContact CG-CZ2 3.77Å; M148-W150 HydrophobicContact CG-CZ3 4.35Å; M148-W150 PolarHBondContact O-N 3.1Å; M148-L153 HydrophobicContact CG-CD2 3.63Å; M148-L153 HydrophobicContact SD-CD2 3.32Å; M148-L153 WeakPolarHBondContact SD-CD2 3.32Å; M148-R167 WeakPolarHBondContact CE-O 3.34Å; M148-R167 HydrophobicContact SD-CB 4.2Å; M148-L170 HydrophobicContact CB-CD2 4.16Å; M148-L170 HydrophobicContact CE-CB 4.25Å; M148-L170 HydrophobicContact CE-CD2 4.32Å; M148-L170 HydrophobicContact CE-CG 4.29Å; M148-A171 HydrophobicContact CE-CB 4Å; M148-E250 WeakPolarHBondContact CB-OE1 3.3Å; M148-E250 PolarHBondContact N-OE1 2.81Å
149D97Very high95.2Very high48 Ų4866.3 Ų66.326%0.25730%0.299SS..  trans-97.284.4178.7-158.5-26.8000109.5R147 D151 D152 L153 R167R147-D149 PolarHBondContact O-N 2.96Å; D149-D151 PolarHBondContact O-N 3.28Å; D149-D152 CarbonylContact O-C 3.51Å; D149-D152 VanDerWaalsContact O-C 3.25Å; D149-D152 PolarHBondContact O-N 2.83Å; D149-D152 VanDerWaalsContact O-N 3.08Å; D149-D152 PolarHBondContact OD1-N 2.77Å; D149-L153 WeakPolarHBondContact O-CA 3.35Å; D149-L153 WeakPolarHBondContact O-CD2 3.4Å; D149-L153 PolarHBondContact O-N 3.27Å; D149-R167 IonicContact OD2-CZ 3.45Å; D149-R167 IonicContact OD2-NH1 3.34Å; D149-R167 PolarHBondContact OD2-NH1 3.07Å; D149-R167 IonicContact OD2-NH2 2.92Å; D149-R167 PolarHBondContact OD2-NH2 3.09Å
150W97.2Very high95.2Very high55 Ų5570.6 Ų70.621%0.20832%0.319CS..THydrogen-bonded Turntrans-63.7-21.7-174.2-62.8100.4000113.6M148 L153 M174 L256 K259 L260 I263M148-W150 HydrophobicContact CB-CD2 4.46Å; M148-W150 HydrophobicContact CB-CZ2 3.96Å; M148-W150 HydrophobicContact CG-CD2 3.94Å; M148-W150 HydrophobicContact CG-CE3 4.24Å; M148-W150 HydrophobicContact CG-CG 4.49Å; M148-W150 HydrophobicContact CG-CH2 4.14Å; M148-W150 HydrophobicContact CG-CZ2 3.77Å; M148-W150 HydrophobicContact CG-CZ3 4.35Å; M148-W150 PolarHBondContact O-N 3.1Å; W150-L153 HydrophobicContact CE3-CD2 4.47Å; W150-M174 HydrophobicContact CH2-SD 4.49Å; W150-M174 HydrophobicContact CZ2-CE 4.49Å; W150-L256 HydrophobicContact CH2-CB 4.38Å; W150-L256 WeakPolarHBondContact CH2-O 3.13Å; W150-L256 HydrophobicContact CZ2-CB 3.88Å; W150-L256 HydrophobicContact CZ2-CD1 4.48Å; W150-L256 HydrophobicContact CZ2-CD2 3.72Å; W150-L256 HydrophobicContact CZ2-CG 4.22Å; W150-K259 HydrophobicContact CD2-CD 3.91Å; W150-K259 HydrophobicContact CE3-CD 3.56Å; W150-K259 VanDerWaalsContact CE3-CE 3.43Å; W150-K259 HydrophobicContact CE3-CG 3.98Å; W150-K259 HydrophobicContact CH2-CB 4.12Å; W150-K259 HydrophobicContact CH2-CD 4.1Å; W150-K259 HydrophobicContact CH2-CG 4.17Å; W150-K259 HydrophobicContact CZ2-CD 4.44Å; W150-K259 HydrophobicContact CZ3-CB 4.06Å; W150-K259 HydrophobicContact CZ3-CD 3.65Å; W150-K259 HydrophobicContact CZ3-CG 3.63Å; W150-L260 HydrophobicContact CH2-CB 3.97Å; W150-L260 HydrophobicContact CZ3-CB 4.22Å; W150-I263 HydrophobicContact CE3-CD1 4.12Å; W150-I263 HydrophobicContact CZ3-CD1 4.04Å
151D96.1Very high95.2Very high135 Ų13573.6 Ų73.672%0.72233%0.33SS*.THydrogen-bonded Turntrans-90.6-12.8178.5-61.8-33.5000112.5D149D149-D151 PolarHBondContact O-N 3.28Å
152D96.9Very high95.4Very high7 Ų771.2 Ų71.24%0.03732%0.316CS..  trans-149.254.5-179.8-165.521.8000113.1D149 M154 A155 M156 R157D149-D152 CarbonylContact O-C 3.51Å; D149-D152 VanDerWaalsContact O-C 3.25Å; D149-D152 PolarHBondContact O-N 2.83Å; D149-D152 VanDerWaalsContact O-N 3.08Å; D149-D152 PolarHBondContact OD1-N 2.77Å; D152-M154 PolarHBondContact O-N 3.34Å; D152-M154 VanDerWaalsContact O-N 3.1Å; D152-A155 PolarHBondContact O-N 2.95Å; D152-A155 PolarHBondContact OD1-N 3.46Å; D152-A155 WeakPolarHBondContact OD2-CA 3.43Å; D152-M156 VanDerWaalsContact CG-N 3.3Å; D152-M156 PolarHBondContact OD1-N 2.95Å; D152-M156 PolarHBondContact OD2-N 3Å; D152-M156 VanDerWaalsContact OD2-N 3.09Å; D152-R157 WeakPolarHBondContact OD2-CB 3.28Å; D152-R157 PolarHBondContact OD2-N 3.35Å
153L96.3Very high95.6Very high22 Ų2271.3 Ų71.312%0.11532%0.317CS..THydrogen-bonded Turntrans-56.1-29.2179.2-71.4176.7000113.4M148 D149 W150 A155 Q164 I263M148-L153 HydrophobicContact CG-CD2 3.63Å; M148-L153 HydrophobicContact SD-CD2 3.32Å; M148-L153 WeakPolarHBondContact SD-CD2 3.32Å; D149-L153 WeakPolarHBondContact O-CA 3.35Å; D149-L153 WeakPolarHBondContact O-CD2 3.4Å; D149-L153 PolarHBondContact O-N 3.27Å; W150-L153 HydrophobicContact CE3-CD2 4.47Å; L153-A155 VanDerWaalsContact C-N 3.32Å; L153-Q164 PolarHBondContact O-NE2 2.86Å; L153-I263 HydrophobicContact CD1-CD1 3.81Å; L153-I263 HydrophobicContact CD1-CG2 3.89Å
154M97.3Very high95.7Very high29 Ų2970.8 Ų70.814%0.14332%0.315CS..THydrogen-bonded Turntrans-91.47.7-179.2-58.4-58.1152.800113.1R98 I105 E106 F109 D152 M156 L267R98-M154 PolarHBondContact NE-O 3.05Å; R98-M154 PolarHBondContact NH2-O 3.49Å; I105-M154 HydrophobicContact CB-SD 4.47Å; I105-M154 HydrophobicContact CG2-CE 4.11Å; I105-M154 HydrophobicContact CG2-SD 3.67Å; E106-M154 HydrophobicContact CB-CB 4.4Å; E106-M154 HydrophobicContact CB-SD 4.21Å; F109-M154 HydrophobicContact CD1-CE 3.76Å; F109-M154 HydrophobicContact CD1-SD 4.22Å; F109-M154 HydrophobicContact CE1-CE 3.74Å; F109-M154 HydrophobicContact CG-CE 4.4Å; F109-M154 HydrophobicContact CZ-CE 4.36Å; D152-M154 PolarHBondContact O-N 3.34Å; D152-M154 VanDerWaalsContact O-N 3.1Å; M154-M156 HydrophobicContact CB-CG 3.95Å; M154-M156 HydrophobicContact CB-SD 4.49Å; M154-M156 PolarHBondContact O-N 3.07Å; M154-M156 VanDerWaalsContact O-N 3.09Å; M154-L267 HydrophobicContact CE-CD1 3.61Å; M154-L267 HydrophobicContact CE-CD2 4.33Å
155A96.8Very high95.7Very high1 Ų168 Ų681%0.00830%0.299CS..  trans4838.2178.300000113.9R98 D152 L153 R157 Y159 Q164R98-A155 VanDerWaalsContact CD-O 3.28Å; R98-A155 WeakPolarHBondContact CD-O 3.35Å; D152-A155 PolarHBondContact O-N 2.95Å; D152-A155 PolarHBondContact OD1-N 3.46Å; D152-A155 WeakPolarHBondContact OD2-CA 3.43Å; L153-A155 VanDerWaalsContact C-N 3.32Å; A155-R157 VanDerWaalsContact C-N 3.32Å; A155-R157 PolarHBondContact O-N 3.48Å; A155-Y159 HydrophobicContact CB-CD2 3.84Å; A155-Q164 HydrophobicContact CB-CG 4.27Å
156M95.8Very high95.7Very high134 Ų13461.8 Ų61.866%0.6628%0.275SS*.SBendtrans-69.9-27.7-176.6-65-176-69.800112.7D152 M154D152-M156 VanDerWaalsContact CG-N 3.3Å; D152-M156 PolarHBondContact OD1-N 2.95Å; D152-M156 PolarHBondContact OD2-N 3Å; D152-M156 VanDerWaalsContact OD2-N 3.09Å; M154-M156 HydrophobicContact CB-CG 3.95Å; M154-M156 HydrophobicContact CB-SD 4.49Å; M154-M156 PolarHBondContact O-N 3.07Å; M154-M156 VanDerWaalsContact O-N 3.09Å
157R93.6Very high95.8Very high204 Ų20459.1 Ų59.177%0.7726%0.264SS*.SBendtrans-96.5-43.7-174.7-59.5178-176.2164.84.2112.8D152 A155D152-R157 WeakPolarHBondContact OD2-CB 3.28Å; D152-R157 PolarHBondContact OD2-N 3.35Å; A155-R157 VanDerWaalsContact C-N 3.32Å; A155-R157 PolarHBondContact O-N 3.48Å
158N88.5Confident95.9Very high102 Ų10250.4 Ų50.455%0.54523%0.232SC..  trans-144.483.2-174.6-177.529.6000111.2
159Y96Very high95.9Very high45 Ų4550 Ų5018%0.17623%0.229CC..  trans-75.8126.3174.7-175.3-90000111.2L95 R98 A155 K161 Q164L95-Y159 PolarHBondContact O-OH 3.12Å; R98-Y159 HydrophobicContact CB-CD1 4.24Å; R98-Y159 HydrophobicContact CB-CD2 3.52Å; R98-Y159 HydrophobicContact CB-CE2 4.1Å; R98-Y159 HydrophobicContact CB-CG 3.59Å; R98-Y159 HydrophobicContact CG-CD2 3.85Å; R98-Y159 HydrophobicContact CG-CE2 4.4Å; R98-Y159 HydrophobicContact CG-CG 4.36Å; A155-Y159 HydrophobicContact CB-CD2 3.84Å; Y159-K161 HydrophobicContact CE1-CB 4.2Å; Y159-Q164 HydrophobicContact CD2-CB 4.14Å; Y159-Q164 HydrophobicContact CD2-CG 4.29Å; Y159-Q164 HydrophobicContact CE2-CB 3.76Å; Y159-Q164 HydrophobicContact CE2-CG 3.84Å
160Q95Very high95.9Very high92 Ų9247.7 Ų47.743%0.4322%0.217SC..  trans-130.4122.6166.1-61.7-177.63.800108.4Y162 A163 Q164Q160-Y162 VanDerWaalsContact C-N 3.28Å; Q160-Y162 PolarHBondContact O-N 3.3Å; Q160-Y162 VanDerWaalsContact O-N 3.08Å; Q160-A163 HydrophobicContact CB-CB 3.85Å; Q160-A163 PolarHBondContact O-N 2.92Å; Q160-Q164 PolarHBondContact O-N 3.1Å
161K93.2Very high96Very high78 Ų7845.1 Ų45.134%0.33921%0.207SC..Hα-helixtrans-44.8-48.2-171.864.5176.9178.3173.70114.3L94 L95 Y159 Y165 G206L94-K161 HydrophobicContact CD2-CB 4.43Å; L95-K161 WeakPolarHBondContact O-CB 3.24Å; Y159-K161 HydrophobicContact CE1-CB 4.2Å; K161-Y165 WeakPolarHBondContact O-CB 3.47Å; K161-Y165 PolarHBondContact O-N 3.39Å; K161-G206 PolarHBondContact NZ-O 3.2Å
162Y92.6Very high96.1Very high32 Ų3238.7 Ų38.713%0.12517%0.173CC..Hα-helixtrans-81.6-32.1-177.7-80.9-62000113.1L94 Q160 S166 G206 Y208L94-Y162 HydrophobicContact CD1-CD1 4.24Å; L94-Y162 HydrophobicContact CD1-CE1 3.77Å; Q160-Y162 VanDerWaalsContact C-N 3.28Å; Q160-Y162 PolarHBondContact O-N 3.3Å; Q160-Y162 VanDerWaalsContact O-N 3.08Å; Y162-S166 WeakPolarHBondContact O-CB 3.39Å; Y162-S166 PolarHBondContact O-N 3.09Å; Y162-G206 VanDerWaalsContact CE2-O 3.31Å; Y162-G206 WeakPolarHBondContact CE2-O 3.11Å; Y162-G206 VanDerWaalsContact CZ-O 3.3Å; Y162-G206 WeakPolarHBondContact OH-CA 3.44Å; Y162-G206 PolarHBondContact OH-O 3.37Å; Y162-Y208 HydrophobicContact CE1-CD2 4.19Å; Y162-Y208 AromaticContact CE1-CE2 3.76Å; Y162-Y208 HydrophobicContact CE1-CE2 3.76Å; Y162-Y208 HydrophobicContact CE2-CD2 4.44Å; Y162-Y208 AromaticContact CE2-CE2 3.7Å; Y162-Y208 HydrophobicContact CE2-CE2 3.7Å; Y162-Y208 AromaticContact CZ-CD2 3.63Å; Y162-Y208 AromaticContact CZ-CE2 3.18Å; Y162-Y208 WeakPolarHBondContact OH-CD2 3.3Å; Y162-Y208 WeakPolarHBondContact OH-CE2 3.41Å
163A95.9Very high96.2Very high6 Ų638.3 Ų38.35%0.0517%0.171CC..Hα-helixtrans-64-48.5174.400000110.1Y146 Q160 S166 R167Y146-A163 HydrophobicContact CD1-CB 3.79Å; Y146-A163 HydrophobicContact CD2-CB 4.08Å; Y146-A163 HydrophobicContact CE1-CB 3.97Å; Y146-A163 HydrophobicContact CE2-CB 4.24Å; Y146-A163 HydrophobicContact CG-CB 3.84Å; Q160-A163 HydrophobicContact CB-CB 3.85Å; Q160-A163 PolarHBondContact O-N 2.92Å; A163-S166 PolarHBondContact O-N 3.11Å; A163-R167 WeakPolarHBondContact O-CD 3.48Å; A163-R167 WeakPolarHBondContact O-CG 3.49Å; A163-R167 PolarHBondContact O-N 2.95Å
164Q97.6Very high96.3Very high2 Ų237.3 Ų37.31%0.00917%0.166CC..Hα-helixtrans-67.5-45.7179.4-171.561.52.900111.4E106 L153 A155 Y159 Q160 S166 R167 T168E106-Q164 HydrophobicContact CG-CG 4.46Å; E106-Q164 WeakPolarHBondContact OE2-CG 3.27Å; E106-Q164 PolarHBondContact OE2-NE2 2.61Å; L153-Q164 PolarHBondContact O-NE2 2.86Å; A155-Q164 HydrophobicContact CB-CG 4.27Å; Y159-Q164 HydrophobicContact CD2-CB 4.14Å; Y159-Q164 HydrophobicContact CD2-CG 4.29Å; Y159-Q164 HydrophobicContact CE2-CB 3.76Å; Y159-Q164 HydrophobicContact CE2-CG 3.84Å; Q160-Q164 PolarHBondContact O-N 3.1Å; Q164-S166 PolarHBondContact O-N 3.48Å; Q164-R167 WeakPolarHBondContact O-CB 3.43Å; Q164-R167 PolarHBondContact O-N 3.03Å; Q164-T168 VanDerWaalsContact O-CG2 3.32Å; Q164-T168 WeakPolarHBondContact O-CG2 3.43Å; Q164-T168 PolarHBondContact O-N 2.79Å
165Y96.5Very high96.4Very high18 Ų1836.1 Ų36.17%0.07116%0.16CC..Hα-helixtrans-57.3-47.4175.5-179.3-105.5000112.4V93 L94 C142 K161 R167 T168 K169 L202V93-Y165 WeakPolarHBondContact O-CD2 3.42Å; L94-Y165 HydrophobicContact CB-CD2 3.87Å; L94-Y165 HydrophobicContact CB-CE2 4.25Å; L94-Y165 HydrophobicContact CB-CG 4.3Å; L94-Y165 HydrophobicContact CD1-CD1 3.9Å; L94-Y165 HydrophobicContact CD1-CD2 4.17Å; L94-Y165 HydrophobicContact CD1-CE1 4.33Å; L94-Y165 HydrophobicContact CD1-CG 3.81Å; L94-Y165 HydrophobicContact CG-CD2 4.13Å; L94-Y165 HydrophobicContact CG-CG 4.04Å; C142-Y165 VanDerWaalsContact SG-CD1 3.51Å; C142-Y165 VanDerWaalsContact SG-CE1 3.53Å; K161-Y165 WeakPolarHBondContact O-CB 3.47Å; K161-Y165 PolarHBondContact O-N 3.39Å; Y165-R167 PolarHBondContact O-N 3.33Å; Y165-T168 PolarHBondContact O-N 3.23Å; Y165-T168 VanDerWaalsContact O-N 3.14Å; Y165-T168 PolarHBondContact O-OG1 3.18Å; Y165-K169 HydrophobicContact CE1-CG 4.11Å; Y165-K169 HydrophobicContact CE2-CD 4.45Å; Y165-K169 HydrophobicContact CE2-CG 4.28Å; Y165-K169 PolarHBondContact O-N 3.39Å; Y165-K169 VanDerWaalsContact O-N 3.11Å; Y165-K169 WeakPolarHBondContact OH-CE 3.49Å; Y165-L202 HydrophobicContact CE1-CD2 4.2Å; Y165-L202 HydrophobicContact CE2-CD1 4Å; Y165-L202 HydrophobicContact CE2-CD2 3.75Å; Y165-L202 HydrophobicContact CE2-CG 4.41Å
166S96.5Very high96.5Very high0 Ų036 Ų360%016%0.159CC..Hα-helixtrans-53-50.2174.11740000111.6C142 Y146 Y162 A163 Q164 T168 K169 L170C142-S166 WeakPolarHBondContact O-CB 3.43Å; C142-S166 PolarHBondContact O-OG 3.2Å; Y146-S166 PolarHBondContact N-OG 2.77Å; Y162-S166 WeakPolarHBondContact O-CB 3.39Å; Y162-S166 PolarHBondContact O-N 3.09Å; A163-S166 PolarHBondContact O-N 3.11Å; Q164-S166 PolarHBondContact O-N 3.48Å; S166-T168 VanDerWaalsContact C-N 3.33Å; S166-T168 PolarHBondContact O-N 2.77Å; S166-K169 CarbonylContact O-C 3.57Å; S166-K169 WeakPolarHBondContact O-CA 3.3Å; S166-K169 PolarHBondContact O-N 2.97Å; S166-L170 PolarHBondContact O-N 3.48Å
167R97.9Very high96.6Very high35 Ų3530.4 Ų30.413%0.13213%0.131CC..Hα-helixtrans-59.2-39.7177-69.4163.4179.1177.3-4.2112.7R147 M148 D149 A163 Q164 Y165 K169 L170 A171R147-R167 PolarHBondContact O-NE 3.34Å; R147-R167 VanDerWaalsContact O-NE 3.14Å; M148-R167 WeakPolarHBondContact CE-O 3.34Å; M148-R167 HydrophobicContact SD-CB 4.2Å; D149-R167 IonicContact OD2-CZ 3.45Å; D149-R167 IonicContact OD2-NH1 3.34Å; D149-R167 PolarHBondContact OD2-NH1 3.07Å; D149-R167 IonicContact OD2-NH2 2.92Å; D149-R167 PolarHBondContact OD2-NH2 3.09Å; A163-R167 WeakPolarHBondContact O-CD 3.48Å; A163-R167 WeakPolarHBondContact O-CG 3.49Å; A163-R167 PolarHBondContact O-N 2.95Å; Q164-R167 WeakPolarHBondContact O-CB 3.43Å; Q164-R167 PolarHBondContact O-N 3.03Å; Y165-R167 PolarHBondContact O-N 3.33Å; R167-K169 VanDerWaalsContact C-N 3.27Å; R167-K169 PolarHBondContact O-N 2.87Å; R167-L170 WeakPolarHBondContact O-CB 3.34Å; R167-L170 PolarHBondContact O-N 3.47Å; R167-A171 WeakPolarHBondContact O-CB 3.41Å; R167-A171 PolarHBondContact O-N 3Å
168T98.4Very high96.9Very high0 Ų020.7 Ų20.70%09%0.094CC..Hα-helixtrans-65.6-30.617571.40000113A108 F109 N112 Q164 Y165 S166 A171 N172A108-T168 HydrophobicContact CB-CG2 4.01Å; F109-T168 HydrophobicContact CB-CG2 4.35Å; N112-T168 PolarHBondContact ND2-OG1 3.43Å; Q164-T168 VanDerWaalsContact O-CG2 3.32Å; Q164-T168 WeakPolarHBondContact O-CG2 3.43Å; Q164-T168 PolarHBondContact O-N 2.79Å; Y165-T168 PolarHBondContact O-N 3.23Å; Y165-T168 VanDerWaalsContact O-N 3.14Å; Y165-T168 PolarHBondContact O-OG1 3.18Å; S166-T168 VanDerWaalsContact C-N 3.33Å; S166-T168 PolarHBondContact O-N 2.77Å; T168-A171 WeakPolarHBondContact O-CB 3.34Å; T168-N172 PolarHBondContact O-N 3.32Å; T168-N172 VanDerWaalsContact O-N 3.15Å; T168-N172 PolarHBondContact O-OD1 2.67Å
169K98Very high97.4Very high4 Ų415.8 Ų15.82%0.0177%0.069CC..Hα-helixtrans-80.3-31.2175.7-62.5-48.5-161.7172.40112.2V138 S139 Y165 S166 R167 A171 N172 H173V138-K169 PolarHBondContact O-NZ 3.11Å; S139-K169 PolarHBondContact OG-O 2.78Å; Y165-K169 HydrophobicContact CE1-CG 4.11Å; Y165-K169 HydrophobicContact CE2-CD 4.45Å; Y165-K169 HydrophobicContact CE2-CG 4.28Å; Y165-K169 PolarHBondContact O-N 3.39Å; Y165-K169 VanDerWaalsContact O-N 3.11Å; Y165-K169 WeakPolarHBondContact OH-CE 3.49Å; S166-K169 CarbonylContact O-C 3.57Å; S166-K169 WeakPolarHBondContact O-CA 3.3Å; S166-K169 PolarHBondContact O-N 2.97Å; R167-K169 VanDerWaalsContact C-N 3.27Å; R167-K169 PolarHBondContact O-N 2.87Å; K169-A171 VanDerWaalsContact C-N 3.32Å; K169-N172 WeakPolarHBondContact O-CB 3.24Å; K169-N172 PolarHBondContact O-N 3.47Å; K169-H173 PolarHBondContact O-CD2 3.29Å; K169-H173 PolarHBondContact O-N 3.42Å
170L98.5Very high97.5Very high1 Ų113.8 Ų13.81%0.0056%0.061CC..Hα-helixtrans-59.5-44.7165.2-172.552.6000111.3Y143 M148 S166 R167 N172 H173 M174 E250Y143-L170 HydrophobicContact CD2-CD1 4.25Å; Y143-L170 VanDerWaalsContact O-CB 3.27Å; Y143-L170 WeakPolarHBondContact O-CB 3.46Å; M148-L170 HydrophobicContact CB-CD2 4.16Å; M148-L170 HydrophobicContact CE-CB 4.25Å; M148-L170 HydrophobicContact CE-CD2 4.32Å; M148-L170 HydrophobicContact CE-CG 4.29Å; S166-L170 PolarHBondContact O-N 3.48Å; R167-L170 WeakPolarHBondContact O-CB 3.34Å; R167-L170 PolarHBondContact O-N 3.47Å; L170-N172 VanDerWaalsContact C-N 3.28Å; L170-N172 PolarHBondContact O-N 2.98Å; L170-H173 WeakPolarHBondContact O-CB 3.39Å; L170-H173 PolarHBondContact O-N 2.63Å; L170-H173 VanDerWaalsContact O-N 3.13Å; L170-M174 HydrophobicContact CD1-CE 4.09Å; L170-M174 HydrophobicContact CD2-CE 4.08Å; L170-M174 HydrophobicContact CG-CE 3.86Å; L170-M174 HydrophobicContact CG-SD 4.48Å; L170-M174 PolarHBondContact O-N 3.23Å; L170-E250 HydrophobicContact CD2-CG 4.15Å
171A98.7Very high97.7Very high0 Ų013.1 Ų13.10%06%0.055CC..Hα-helixtrans-58.5-40.5176.400000111.9H113 M148 R167 T168 K169 H173 M174 F175 L260H113-A171 HydrophobicContact CB-CB 4.12Å; M148-A171 HydrophobicContact CE-CB 4Å; R167-A171 WeakPolarHBondContact O-CB 3.41Å; R167-A171 PolarHBondContact O-N 3Å; T168-A171 WeakPolarHBondContact O-CB 3.34Å; K169-A171 VanDerWaalsContact C-N 3.32Å; A171-H173 PolarHBondContact O-N 3.26Å; A171-M174 PolarHBondContact O-N 3.12Å; A171-F175 VanDerWaalsContact O-CB 3.32Å; A171-F175 WeakPolarHBondContact O-CB 3.38Å; A171-F175 PolarHBondContact O-N 3.35Å; A171-L260 HydrophobicContact CB-CD2 3.69Å
172N98.7Very high97.9Very high0 Ų013.5 Ų13.50%05%0.054CC..Hα-helixtrans-60.3-41.3174.1-80.15.9000113.2N112 V137 V138 T168 K169 L170 A176N112-N172 PolarHBondContact O-ND2 3.5Å; N112-N172 PolarHBondContact O-OD1 2.86Å; N112-N172 VanDerWaalsContact O-OD1 3.11Å; V137-N172 HydrophobicContact CG1-CB 3.63Å; V138-N172 PolarHBondContact O-ND2 3.33Å; T168-N172 PolarHBondContact O-N 3.32Å; T168-N172 VanDerWaalsContact O-N 3.15Å; T168-N172 PolarHBondContact O-OD1 2.67Å; K169-N172 WeakPolarHBondContact O-CB 3.24Å; K169-N172 PolarHBondContact O-N 3.47Å; L170-N172 VanDerWaalsContact C-N 3.28Å; L170-N172 PolarHBondContact O-N 2.98Å; N172-A176 WeakPolarHBondContact O-CB 3.43Å; N172-A176 PolarHBondContact O-N 3.4Å
173H98.6Very high98.2Very high0 Ų012.1 Ų12.10%05%0.049CC..Hα-helixtrans-63.4-50173.9-80-131.9000111.1S139 Y143 K169 L170 A171 F175 A176 F177 F237S139-H173 VanDerWaalsContact CB-CD2 3.48Å; S139-H173 WeakPolarHBondContact CB-CD2 3.32Å; S139-H173 WeakPolarHBondContact CB-NE2 3.27Å; S139-H173 PolarHBondContact OG-CD2 2.87Å; S139-H173 PolarHBondContact OG-NE2 3.34Å; Y143-H173 AromaticContact CD1-CE1 3.98Å; Y143-H173 AromaticContact CD2-CD2 3.78Å; Y143-H173 AromaticContact CD2-CE1 3.37Å; Y143-H173 WeakPolarHBondContact CD2-CE1 3.28Å; Y143-H173 AromaticContact CD2-CG 3.71Å; Y143-H173 AromaticContact CD2-ND1 3.46Å; Y143-H173 WeakPolarHBondContact CD2-ND1 3.38Å; Y143-H173 AromaticContact CD2-NE2 3.59Å; Y143-H173 AromaticContact CE2-CE1 3.38Å; Y143-H173 WeakPolarHBondContact CE2-CE1 3.35Å; Y143-H173 AromaticContact CE2-ND1 3.35Å; Y143-H173 VanDerWaalsContact CE2-ND1 3.35Å; Y143-H173 WeakPolarHBondContact CE2-ND1 3.29Å; Y143-H173 AromaticContact CG-CE1 3.67Å; Y143-H173 AromaticContact CG-NE2 3.57Å; Y143-H173 AromaticContact CZ-CE1 3.72Å; K169-H173 PolarHBondContact O-CD2 3.29Å; K169-H173 PolarHBondContact O-N 3.42Å; L170-H173 WeakPolarHBondContact O-CB 3.39Å; L170-H173 PolarHBondContact O-N 2.63Å; L170-H173 VanDerWaalsContact O-N 3.13Å; A171-H173 PolarHBondContact O-N 3.26Å; H173-F175 VanDerWaalsContact C-N 3.28Å; H173-F175 PolarHBondContact O-N 3.05Å; H173-A176 PolarHBondContact O-N 2.97Å; H173-A176 VanDerWaalsContact O-N 3.14Å; H173-F177 HydrophobicContact CB-CE2 4.06Å; H173-F177 VanDerWaalsContact O-CD2 3.28Å; H173-F177 WeakPolarHBondContact O-CD2 3.29Å; H173-F177 WeakPolarHBondContact O-CG 3.47Å; H173-F177 PolarHBondContact O-N 3.17Å; H173-F237 AromaticContact CE1-CD1 3.76Å; H173-F237 AromaticContact CE1-CD2 3.56Å; H173-F237 AromaticContact CE1-CE1 3.62Å; H173-F237 AromaticContact CE1-CE2 3.44Å; H173-F237 VanDerWaalsContact CE1-CE2 3.44Å; H173-F237 WeakPolarHBondContact CE1-CE2 3.25Å; H173-F237 AromaticContact CE1-CG 3.74Å; H173-F237 AromaticContact CE1-CZ 3.48Å; H173-F237 VanDerWaalsContact CE1-CZ 3.48Å; H173-F237 WeakPolarHBondContact CE1-CZ 3.38Å; H173-F237 AromaticContact NE2-CE2 3.73Å; H173-F237 AromaticContact NE2-CZ 4Å
174M98.7Very high98.3Very high0 Ų017.5 Ų17.50%07%0.073CC..Hα-helixtrans-59.8-41.9-178.1-73179.5179.300111.6W150 L170 A171 A178 E250 L256 Q257 L260W150-M174 HydrophobicContact CH2-SD 4.49Å; W150-M174 HydrophobicContact CZ2-CE 4.49Å; L170-M174 HydrophobicContact CD1-CE 4.09Å; L170-M174 HydrophobicContact CD2-CE 4.08Å; L170-M174 HydrophobicContact CG-CE 3.86Å; L170-M174 HydrophobicContact CG-SD 4.48Å; L170-M174 PolarHBondContact O-N 3.23Å; A171-M174 PolarHBondContact O-N 3.12Å; M174-A178 VanDerWaalsContact O-CB 3.26Å; M174-A178 WeakPolarHBondContact O-CB 3.16Å; M174-A178 PolarHBondContact O-N 3.45Å; M174-E250 HydrophobicContact CE-CG 3.69Å; M174-E250 WeakPolarHBondContact CE-O 3.43Å; M174-L256 HydrophobicContact CE-CB 4.02Å; M174-L256 HydrophobicContact CE-CD1 4.38Å; M174-L256 HydrophobicContact SD-CB 4.49Å; M174-Q257 HydrophobicContact CB-CB 4.43Å; M174-Q257 HydrophobicContact CB-CG 3.88Å; M174-Q257 HydrophobicContact CG-CG 3.93Å; M174-L260 HydrophobicContact CB-CD2 3.73Å; M174-L260 HydrophobicContact CG-CD2 4.5Å; M174-L260 HydrophobicContact SD-CB 4.47Å; M174-L260 HydrophobicContact SD-CD2 4.02Å
175F98.8Very high98.2Very high4 Ų425.2 Ų25.22%0.01811%0.114CC..Hα-helixtrans-59.1-51.9172.2165.9-125.8000112.2F117 V120 V137 A171 H173 F177 A178 L179 W261F117-F175 HydrophobicContact CB-CE2 4.49Å; F117-F175 AromaticContact CD2-CD2 3.46Å; F117-F175 HydrophobicContact CD2-CD2 3.46Å; F117-F175 VanDerWaalsContact CD2-CD2 3.46Å; F117-F175 AromaticContact CD2-CE2 3.7Å; F117-F175 HydrophobicContact CD2-CE2 3.7Å; F117-F175 HydrophobicContact CD2-CG 4.27Å; F117-F175 HydrophobicContact CE2-CD2 4.07Å; F117-F175 HydrophobicContact CE2-CE2 4.31Å; F117-F175 HydrophobicContact CG-CD2 4.44Å; F117-F175 HydrophobicContact CG-CE2 4.42Å; V120-F175 HydrophobicContact CB-CZ 3.9Å; V120-F175 HydrophobicContact CG1-CZ 3.94Å; V120-F175 HydrophobicContact CG2-CZ 4.21Å; V137-F175 HydrophobicContact CG2-CD1 4.13Å; V137-F175 HydrophobicContact CG2-CE1 4Å; A171-F175 VanDerWaalsContact O-CB 3.32Å; A171-F175 WeakPolarHBondContact O-CB 3.38Å; A171-F175 PolarHBondContact O-N 3.35Å; H173-F175 VanDerWaalsContact C-N 3.28Å; H173-F175 PolarHBondContact O-N 3.05Å; F175-F177 VanDerWaalsContact C-N 3.31Å; F175-F177 PolarHBondContact O-N 3.5Å; F175-A178 PolarHBondContact O-N 2.98Å; F175-L179 HydrophobicContact CD2-CB 4.34Å; F175-L179 HydrophobicContact CE2-CB 4.07Å; F175-L179 HydrophobicContact CE2-CD2 3.86Å; F175-L179 HydrophobicContact CE2-CG 4.42Å; F175-L179 HydrophobicContact CZ-CD2 3.72Å; F175-L179 VanDerWaalsContact O-CB 3.23Å; F175-L179 WeakPolarHBondContact O-CB 3.48Å; F175-L179 PolarHBondContact O-N 2.88Å; F175-W261 HydrophobicContact CD2-CZ3 4.02Å; F175-W261 HydrophobicContact CE2-CZ3 4.13Å
176A98.8Very high98.3Very high0 Ų025.7 Ų25.70%012%0.119CC..Hα-helixtrans-59.6-42.3-176.900000111.9V137 N172 H173 A180 V192V137-A176 HydrophobicContact CB-CB 4.33Å; V137-A176 HydrophobicContact CG2-CB 4.06Å; N172-A176 WeakPolarHBondContact O-CB 3.43Å; N172-A176 PolarHBondContact O-N 3.4Å; H173-A176 PolarHBondContact O-N 2.97Å; H173-A176 VanDerWaalsContact O-N 3.14Å; A176-A180 VanDerWaalsContact O-CB 3.24Å; A176-A180 WeakPolarHBondContact O-CB 3.03Å; A176-A180 PolarHBondContact O-N 3.47Å; A176-V192 HydrophobicContact CB-CB 3.85Å; A176-V192 HydrophobicContact CB-CG1 4.29Å
177F98.8Very high98.3Very high15 Ų1527.6 Ų27.67%0.06614%0.139CC..Hα-helixtrans-72.2-41.3178.8-58.4-32.8000113H173 F175 L179 A180 R181 V192 G235 F237 P247 S251H173-F177 HydrophobicContact CB-CE2 4.06Å; H173-F177 VanDerWaalsContact O-CD2 3.28Å; H173-F177 WeakPolarHBondContact O-CD2 3.29Å; H173-F177 WeakPolarHBondContact O-CG 3.47Å; H173-F177 PolarHBondContact O-N 3.17Å; F175-F177 VanDerWaalsContact C-N 3.31Å; F175-F177 PolarHBondContact O-N 3.5Å; F177-L179 VanDerWaalsContact C-N 3.32Å; F177-L179 PolarHBondContact O-N 2.91Å; F177-A180 PolarHBondContact O-N 2.92Å; F177-R181 PolarHBondContact O-N 2.99Å; F177-R181 PolarHBondContact O-NH1 3.11Å; F177-V192 HydrophobicContact CE1-CG1 3.75Å; F177-V192 HydrophobicContact CZ-CG1 3.88Å; F177-G235 WeakPolarHBondContact CD1-O 3.35Å; F177-G235 WeakPolarHBondContact CE1-O 3.35Å; F177-F237 HydrophobicContact CZ-CB 4.15Å; F177-P247 HydrophobicContact CE2-CB 3.73Å; F177-P247 HydrophobicContact CE2-CG 3.95Å; F177-P247 HydrophobicContact CZ-CB 3.75Å; F177-P247 HydrophobicContact CZ-CG 3.75Å; F177-S251 WeakPolarHBondContact CD2-O 3.44Å
178A98.8Very high98.4Very high0 Ų026 Ų260%013%0.133CC..Hα-helixtrans-62.3-41.2174.300000112.2M174 F175 R182 Q257 W261M174-A178 VanDerWaalsContact O-CB 3.26Å; M174-A178 WeakPolarHBondContact O-CB 3.16Å; M174-A178 PolarHBondContact O-N 3.45Å; F175-A178 PolarHBondContact O-N 2.98Å; A178-R182 WeakPolarHBondContact O-CG 3.36Å; A178-R182 PolarHBondContact O-N 2.97Å; A178-R182 PolarHBondContact O-NH1 3.04Å; A178-Q257 HydrophobicContact CB-CB 4.23Å; A178-W261 HydrophobicContact CB-CE3 3.66Å; A178-W261 HydrophobicContact CB-CZ3 4.23Å
179L98.8Very high98.4Very high0 Ų026.5 Ų26.50%014%0.136CC..Hα-helixtrans-67.8-45.1176.9-176.462.9000110.8V120 L124 I135 F175 F177 R181 R182 L183 C190 W261V120-L179 HydrophobicContact CG1-CD2 3.48Å; V120-L179 VanDerWaalsContact CG1-CD2 3.48Å; L124-L179 HydrophobicContact CD1-CD1 4Å; L124-L179 HydrophobicContact CD2-CD1 4.24Å; I135-L179 HydrophobicContact CD1-CD2 3.81Å; F175-L179 HydrophobicContact CD2-CB 4.34Å; F175-L179 HydrophobicContact CE2-CB 4.07Å; F175-L179 HydrophobicContact CE2-CD2 3.86Å; F175-L179 HydrophobicContact CE2-CG 4.42Å; F175-L179 HydrophobicContact CZ-CD2 3.72Å; F175-L179 VanDerWaalsContact O-CB 3.23Å; F175-L179 WeakPolarHBondContact O-CB 3.48Å; F175-L179 PolarHBondContact O-N 2.88Å; F177-L179 VanDerWaalsContact C-N 3.32Å; F177-L179 PolarHBondContact O-N 2.91Å; L179-R181 VanDerWaalsContact C-N 3.3Å; L179-R181 PolarHBondContact O-N 2.85Å; L179-R182 CarbonylContact O-C 3.59Å; L179-R182 WeakPolarHBondContact O-CA 3.45Å; L179-R182 WeakPolarHBondContact O-CB 3.42Å; L179-R182 PolarHBondContact O-N 3.03Å; L179-L183 HydrophobicContact CD1-CD1 4.11Å; L179-L183 HydrophobicContact CD1-CD2 4.42Å; L179-L183 HydrophobicContact CD1-CG 4.07Å; L179-L183 HydrophobicContact CD2-CD1 4.14Å; L179-L183 HydrophobicContact CG-CD1 3.69Å; L179-L183 HydrophobicContact CG-CG 4.08Å; L179-L183 VanDerWaalsContact O-CG 3.29Å; L179-L183 WeakPolarHBondContact O-CG 3.4Å; L179-L183 PolarHBondContact O-N 2.97Å; L179-C190 HydrophobicContact CD2-CB 4.13Å; L179-C190 HydrophobicContact CG-CB 4.29Å; L179-W261 HydrophobicContact CB-CZ3 4.03Å; L179-W261 HydrophobicContact CD1-CH2 3.88Å; L179-W261 HydrophobicContact CD1-CZ3 4.24Å
180A98.7Very high98.4Very high3 Ų326.3 Ų26.33%0.02514%0.135CC..Hα-helixtrans-53-46.1178.200000112.3A176 F177 R182 L183 E184 C190 N234A176-A180 VanDerWaalsContact O-CB 3.24Å; A176-A180 WeakPolarHBondContact O-CB 3.03Å; A176-A180 PolarHBondContact O-N 3.47Å; F177-A180 PolarHBondContact O-N 2.92Å; A180-R182 VanDerWaalsContact C-N 3.33Å; A180-R182 PolarHBondContact O-N 2.74Å; A180-L183 PolarHBondContact O-N 3.14Å; A180-L183 VanDerWaalsContact O-N 3.09Å; A180-E184 PolarHBondContact O-N 3.39Å; A180-C190 HydrophobicContact CB-CB 4.4Å; A180-N234 VanDerWaalsContact CB-OD1 3.28Å; A180-N234 WeakPolarHBondContact CB-OD1 3.31Å; A180-N234 PolarHBondContact O-ND2 3.17Å
181R98.6Very high98.5Very high77 Ų7726.4 Ų26.429%0.29114%0.135SC..Hα-helixtrans-58.6-42.6174.4-76.1-166-59.9-76.33.2112.9F177 L179 L183 E184 E258F177-R181 PolarHBondContact O-N 2.99Å; F177-R181 PolarHBondContact O-NH1 3.11Å; L179-R181 VanDerWaalsContact C-N 3.3Å; L179-R181 PolarHBondContact O-N 2.85Å; R181-L183 PolarHBondContact O-N 3.35Å; R181-E184 WeakPolarHBondContact O-CG 3.08Å; R181-E184 PolarHBondContact O-N 2.93Å; R181-E258 IonicContact CZ-OE1 3.85Å; R181-E258 IonicContact NE-OE1 3.37Å; R181-E258 IonicContact NH2-OE1 3.58Å; R181-E258 PolarHBondContact NH2-OE1 3.04Å
182R98.4Very high98.4Very high87 Ų8726.4 Ų26.433%0.32814%0.135SC..Hα-helixtrans-69.3-16.8178.1-69.8166167.469.3-0113.4A178 L179 A180 E258 W261A178-R182 WeakPolarHBondContact O-CG 3.36Å; A178-R182 PolarHBondContact O-N 2.97Å; A178-R182 PolarHBondContact O-NH1 3.04Å; L179-R182 CarbonylContact O-C 3.59Å; L179-R182 WeakPolarHBondContact O-CA 3.45Å; L179-R182 WeakPolarHBondContact O-CB 3.42Å; L179-R182 PolarHBondContact O-N 3.03Å; A180-R182 VanDerWaalsContact C-N 3.33Å; A180-R182 PolarHBondContact O-N 2.74Å; R182-E258 IonicContact CZ-OE1 2.61Å; R182-E258 IonicContact CZ-OE2 3.9Å; R182-E258 IonicContact NH1-OE1 3.76Å; R182-E258 PolarHBondContact NH1-OE1 2.84Å; R182-E258 IonicContact NH1-OE2 3.36Å; R182-E258 PolarHBondContact NH1-OE2 3.28Å; R182-E258 IonicContact NH2-OE1 3.17Å; R182-E258 IonicContact NH2-OE2 2.89Å; R182-E258 PolarHBondContact NH2-OE2 3Å; R182-W261 VanDerWaalsContact NE-CE2 3.31Å
183L98.5Very high98.4Very high2 Ų226.4 Ų26.41%0.0114%0.135CC..THydrogen-bonded Turntrans-991-179.9-65178.4000113.7L124 I135 L179 A180 R181 N185 T186 V188 C190L124-L183 HydrophobicContact CD1-CD2 4.41Å; L124-L183 HydrophobicContact CD2-CD2 3.89Å; I135-L183 HydrophobicContact CD1-CD1 3.95Å; L179-L183 HydrophobicContact CD1-CD1 4.11Å; L179-L183 HydrophobicContact CD1-CD2 4.42Å; L179-L183 HydrophobicContact CD1-CG 4.07Å; L179-L183 HydrophobicContact CD2-CD1 4.14Å; L179-L183 HydrophobicContact CG-CD1 3.69Å; L179-L183 HydrophobicContact CG-CG 4.08Å; L179-L183 VanDerWaalsContact O-CG 3.29Å; L179-L183 WeakPolarHBondContact O-CG 3.4Å; L179-L183 PolarHBondContact O-N 2.97Å; A180-L183 PolarHBondContact O-N 3.14Å; A180-L183 VanDerWaalsContact O-N 3.09Å; R181-L183 PolarHBondContact O-N 3.35Å; L183-N185 PolarHBondContact O-N 3Å; L183-T186 WeakPolarHBondContact O-CB 3.39Å; L183-T186 WeakPolarHBondContact O-CG2 3.45Å; L183-T186 PolarHBondContact O-N 2.92Å; L183-T186 PolarHBondContact O-OG1 3.29Å; L183-V188 WeakPolarHBondContact CB-O 3.49Å; L183-V188 HydrophobicContact CD1-CB 4.11Å; L183-V188 HydrophobicContact CD1-CG1 3.88Å; L183-V188 HydrophobicContact CD2-CB 4.24Å; L183-C190 HydrophobicContact CD1-CB 4.11Å
184E97.7Very high98.2Very high119 Ų11927.2 Ų27.256%0.55614%0.139SC*.THydrogen-bonded Turntrans-51.2135.5174-73.9-177.7-168.700111.5A180 R181 T186A180-E184 PolarHBondContact O-N 3.39Å; R181-E184 WeakPolarHBondContact O-CG 3.08Å; R181-E184 PolarHBondContact O-N 2.93Å; E184-T186 PolarHBondContact O-N 3.34Å
185N96.6Very high97.8Very high164 Ų16427.6 Ų27.688%0.87714%0.142SC*.THydrogen-bonded Turntrans61.110.1-178.8-51.4-56.7000115.7L183L183-N185 PolarHBondContact O-N 3Å
186T97.9Very high97.1Very high28 Ų2827.9 Ų27.917%0.17215%0.146CC..THydrogen-bonded Turntrans-89-17.1177.371.60000113.4K131 L183 E184 V188K131-T186 VanDerWaalsContact CD-O 3.26Å; K131-T186 WeakPolarHBondContact CD-O 3.26Å; L183-T186 WeakPolarHBondContact O-CB 3.39Å; L183-T186 WeakPolarHBondContact O-CG2 3.45Å; L183-T186 PolarHBondContact O-N 2.92Å; L183-T186 PolarHBondContact O-OG1 3.29Å; E184-T186 PolarHBondContact O-N 3.34Å; T186-V188 VanDerWaalsContact C-N 3.25Å; T186-V188 PolarHBondContact OG1-N 2.97Å
187G97.5Very high96.1Very high40 Ų4030.7 Ų30.741%0.41216%0.163SC..THydrogen-bonded Turntrans77.78.8-170.300000113.8P132 S133P132-G187 WeakPolarHBondContact CA-O 3.24Å; S133-G187 PolarHBondContact N-O 3.43Å; S133-G187 VanDerWaalsContact N-O 3.11Å
188V98.6Very high94.9Very high2 Ų230.3 Ų30.31%0.01216%0.162CC..EExtended strand (participates in β ladder)trans-107.2133171.1-1690000108.6L127 K128 S133 I135 L183 T186L127-V188 HydrophobicContact CB-CG1 4.13Å; L127-V188 HydrophobicContact CB-CG2 4.1Å; L127-V188 HydrophobicContact CD1-CG1 4.42Å; K128-V188 HydrophobicContact CB-CG2 4.35Å; K128-V188 HydrophobicContact CG-CG2 3.72Å; S133-V188 CarbonylContact O-C 3.58Å; S133-V188 VanDerWaalsContact O-CA 3.26Å; S133-V188 WeakPolarHBondContact O-CA 3.29Å; I135-V188 HydrophobicContact CD1-CG1 3.92Å; I135-V188 HydrophobicContact CG1-CG1 4.36Å; L183-V188 WeakPolarHBondContact CB-O 3.49Å; L183-V188 HydrophobicContact CD1-CB 4.11Å; L183-V188 HydrophobicContact CD1-CG1 3.88Å; L183-V188 HydrophobicContact CD2-CB 4.24Å; T186-V188 VanDerWaalsContact C-N 3.25Å; T186-V188 PolarHBondContact OG1-N 2.97Å
189T98.7Very high93.7Very high11 Ų1131.6 Ų31.67%0.06717%0.173CC..EExtended strand (participates in β ladder)trans-110.3150.5174.761.30000110.9S133 I135 V233 N234S133-T189 PolarHBondContact O-N 3.01Å; I135-T189 PolarHBondContact N-O 3.13Å; T189-V233 VanDerWaalsContact CB-O 3.26Å; T189-V233 WeakPolarHBondContact CB-O 3.07Å; T189-V233 WeakPolarHBondContact CG2-O 3.16Å; T189-N234 WeakPolarHBondContact CA-OD1 3.47Å; T189-N234 HydrophobicContact CG2-CB 4.03Å
190C98.8Very high92.6Very high0 Ų032.6 Ų32.60%018%0.179CC..EExtended strand (participates in β ladder)trans-130.6120.1172.1-175.50000109.8I135 L179 A180 L183 N234 G235I135-C190 HydrophobicContact CB-CB 4.14Å; I135-C190 VanDerWaalsContact O-CA 3.31Å; I135-C190 WeakPolarHBondContact O-CA 3.39Å; L179-C190 HydrophobicContact CD2-CB 4.13Å; L179-C190 HydrophobicContact CG-CB 4.29Å; A180-C190 HydrophobicContact CB-CB 4.4Å; L183-C190 HydrophobicContact CD1-CB 4.11Å; C190-N234 PolarHBondContact N-OD1 2.69Å; C190-N234 PolarHBondContact O-OD1 3.41Å; C190-G235 WeakPolarHBondContact O-CA 3.47Å; C190-G235 PolarHBondContact O-N 3.2Å
191N98.7Very high91.3Very high2 Ų237.9 Ų37.91%0.01120%0.201CC..EExtended strand (participates in β ladder)trans-126.7159.3176.9-63.1-62.3000110.4I135 V136 V137 L224 V233 G235 C236 F238I135-N191 PolarHBondContact O-N 3.35Å; V136-N191 WeakPolarHBondContact CA-O 3.06Å; V137-N191 PolarHBondContact N-O 2.91Å; N191-L224 HydrophobicContact CB-CD1 4.41Å; N191-L224 HydrophobicContact CB-CD2 4.48Å; N191-V233 PolarHBondContact ND2-O 3.3Å; N191-V233 PolarHBondContact OD1-O 3.06Å; N191-G235 PolarHBondContact OD1-N 3.33Å; N191-C236 PolarHBondContact OD1-N 3.39Å; N191-F238 HydrophobicContact CB-CE2 4.37Å
192V98.5Very high90Very high0 Ų036.1 Ų36.10%020%0.198CC..EExtended strand (participates in β ladder)trans-120.3147.3177.660.70000109.4V137 A176 F177 C236 F237 F238V137-V192 HydrophobicContact CB-CB 4.42Å; V137-V192 HydrophobicContact CB-CG2 4.32Å; V137-V192 WeakPolarHBondContact O-CA 3.17Å; V137-V192 WeakPolarHBondContact O-CG2 3.21Å; A176-V192 HydrophobicContact CB-CB 3.85Å; A176-V192 HydrophobicContact CB-CG1 4.29Å; F177-V192 HydrophobicContact CE1-CG1 3.75Å; F177-V192 HydrophobicContact CZ-CG1 3.88Å; V192-C236 PolarHBondContact N-O 3.48Å; V192-F237 HydrophobicContact CG1-CB 3.98Å; V192-F237 HydrophobicContact CG1-CD2 3.95Å; V192-F237 HydrophobicContact CG1-CG 4.27Å; V192-F237 CarbonylContact O-C 3.44Å; V192-F237 VanDerWaalsContact O-CA 3.29Å; V192-F237 WeakPolarHBondContact O-CA 3.35Å; V192-F238 PolarHBondContact O-N 3.2Å
193Y97.8Very high88.6Confident0 Ų033.1 Ų33.10%019%0.188CC..EExtended strand (participates in β ladder)trans-142.8157.7172.286.7-80.4000112.6V136 V137 V138 S139 P195 G217 T220 A221 L224 F238V136-Y193 HydrophobicContact CG1-CD1 3.6Å; V136-Y193 HydrophobicContact CG1-CE1 3.8Å; V137-Y193 PolarHBondContact O-N 3.46Å; V138-Y193 HydrophobicContact CB-CE1 4.4Å; V138-Y193 HydrophobicContact CG1-CE1 4.48Å; V138-Y193 HydrophobicContact CG2-CE1 3.67Å; S139-Y193 WeakPolarHBondContact CA-O 3.46Å; S139-Y193 WeakPolarHBondContact CB-O 3.32Å; S139-Y193 PolarHBondContact N-O 3.44Å; Y193-P195 HydrophobicContact CE2-CB 3.8Å; Y193-G217 WeakPolarHBondContact CE2-O 3.34Å; Y193-G217 PolarHBondContact OH-O 3.23Å; Y193-T220 HydrophobicContact CD1-CG2 4.46Å; Y193-T220 VanDerWaalsContact CD2-CB 3.48Å; Y193-T220 HydrophobicContact CD2-CG2 3.64Å; Y193-T220 HydrophobicContact CE2-CG2 4.42Å; Y193-T220 HydrophobicContact CG-CG2 3.67Å; Y193-A221 HydrophobicContact CE1-CB 3.75Å; Y193-A221 WeakPolarHBondContact OH-CB 3.27Å; Y193-L224 HydrophobicContact CD1-CD1 4.18Å; Y193-L224 HydrophobicContact CG-CD1 4.34Å; Y193-F238 CarbonylContact C-O 3.57Å; Y193-F238 WeakPolarHBondContact CA-O 3.38Å; Y193-F238 VanDerWaalsContact CB-O 3.29Å; Y193-F238 WeakPolarHBondContact CB-O 3.29Å
194E94Very high87.6Confident17 Ų1739.8 Ų39.88%0.07921%0.213CC..  trans-107131.3171.167.275.6-144.900110G196 F237 F238 N239 K240E194-G196 VanDerWaalsContact C-N 3.3Å; E194-G196 PolarHBondContact O-N 3.28Å; E194-G196 VanDerWaalsContact OE2-CA 3.25Å; E194-G196 WeakPolarHBondContact OE2-CA 3.44Å; E194-G196 PolarHBondContact OE2-N 3.11Å; E194-F237 HydrophobicContact CB-CE2 3.93Å; E194-F237 HydrophobicContact CB-CZ 4.1Å; E194-F237 HydrophobicContact CG-CE2 3.81Å; E194-F237 HydrophobicContact CG-CZ 3.7Å; E194-F238 PolarHBondContact N-O 3.32Å; E194-N239 CarbonylContact O-C 3.25Å; E194-N239 WeakPolarHBondContact OE1-CA 3.37Å; E194-N239 WeakPolarHBondContact OE1-CB 3.28Å; E194-K240 PolarHBondContact O-N 3.35Å; E194-K240 PolarHBondContact OE1-N 3.18Å
195P91Very high86.2Confident8 Ų836.5 Ų36.55%0.05221%0.206CC..  trans-85.54.1-174.133.7-36.5000114.1I15 V138 Y193I15-P195 HydrophobicContact CD1-CB 3.63Å; I15-P195 HydrophobicContact CD1-CG 3.66Å; V138-P195 HydrophobicContact CG1-CG 4.27Å; Y193-P195 HydrophobicContact CE2-CB 3.8Å
196G84.1Confident84.3Confident11 Ų1128.8 Ų28.811%0.11317%0.165CC..  trans72-166.6-168.400000114.3E194 V198E194-G196 VanDerWaalsContact C-N 3.3Å; E194-G196 PolarHBondContact O-N 3.28Å; E194-G196 VanDerWaalsContact OE2-CA 3.25Å; E194-G196 WeakPolarHBondContact OE2-CA 3.44Å; E194-G196 PolarHBondContact OE2-N 3.11Å; G196-V198 PolarHBondContact O-N 3.17Å
197V78Confident82.8Confident59 Ų5930.4 Ų30.436%0.35819%0.187SC..SBendtrans-92.192.6179.6-168.50000109.3I141 L203 S210I141-V197 HydrophobicContact CG2-CG2 4.28Å; V197-L203 HydrophobicContact CG1-CD1 3.6Å; V197-L203 HydrophobicContact CG1-CD2 3.85Å; V197-L203 HydrophobicContact CG1-CG 4.41Å; V197-S210 WeakPolarHBondContact O-CB 3.46Å; V197-S210 PolarHBondContact O-OG 3.23Å
198V72.4Confident81.2Confident6 Ų634.2 Ų34.24%0.03619%0.19CC..  trans-112.4148.1-176.8-65.50000113I15 G196 T200 L203 D212 T216I15-V198 HydrophobicContact CD1-CG2 3.56Å; I15-V198 HydrophobicContact CG1-CG2 3.8Å; G196-V198 PolarHBondContact O-N 3.17Å; V198-T200 HydrophobicContact CG2-CG2 3.76Å; V198-T200 PolarHBondContact O-N 3.33Å; V198-T200 PolarHBondContact O-OG1 2.6Å; V198-L203 WeakPolarHBondContact O-CB 3.48Å; V198-L203 VanDerWaalsContact O-CD2 3.26Å; V198-L203 WeakPolarHBondContact O-CD2 3.38Å; V198-D212 CarbonylContact C-O 3.55Å; V198-D212 WeakPolarHBondContact CA-O 3.17Å; V198-D212 HydrophobicContact CG1-CB 4.14Å; V198-T216 WeakPolarHBondContact CG1-OG1 3.29Å
199A73.8Confident79.6Confident28 Ų2839.2 Ų39.223%0.23123%0.225CC..  trans-69.657.9-171.400000115R204 S210 D212A199-R204 PolarHBondContact O-NH1 3.24Å; A199-R204 VanDerWaalsContact O-NH1 3.11Å; A199-S210 WeakPolarHBondContact CB-O 3.39Å; A199-D212 WeakPolarHBondContact CB-O 3.39Å; A199-D212 PolarHBondContact N-O 3.33Å
200T75.8Confident78.2Confident21 Ų2140.4 Ų40.413%0.12923%0.234CC..  trans-94.9166.8-178.961.30000112.4I15 V198 L202 L203 R204 P214I15-T200 HydrophobicContact CD1-CG2 4.34Å; I15-T200 HydrophobicContact CG1-CG2 4.1Å; V198-T200 HydrophobicContact CG2-CG2 3.76Å; V198-T200 PolarHBondContact O-N 3.33Å; V198-T200 PolarHBondContact O-OG1 2.6Å; T200-L202 PolarHBondContact O-N 2.92Å; T200-L203 PolarHBondContact O-N 3.42Å; T200-L203 PolarHBondContact OG1-N 3.4Å; T200-R204 PolarHBondContact O-N 2.89Å; T200-R204 VanDerWaalsContact O-N 3.15Å; T200-R204 PolarHBondContact O-NH1 3.15Å; T200-P214 HydrophobicContact CG2-CB 4.34Å; T200-P214 HydrophobicContact CG2-CG 4.2Å
201K72.9Confident76.6Confident113 Ų11345.7 Ų45.749%0.49127%0.271SS..Hα-helixtrans-58.3-34.8169-72.8-179.3180163.60112.2D13 R204 A205D13-K201 VanDerWaalsContact OD2-CD 3.25Å; D13-K201 WeakPolarHBondContact OD2-CD 3.48Å; D13-K201 WeakPolarHBondContact OD2-CE 3.41Å; D13-K201 IonicContact OD2-NZ 3.8Å; D13-K201 PolarHBondContact OD2-NZ 3.31Å; K201-R204 VanDerWaalsContact CG-NH2 3.34Å; K201-R204 PolarHBondContact O-N 3.12Å; K201-A205 WeakPolarHBondContact O-CB 3.48Å; K201-A205 PolarHBondContact O-N 2.93Å
202L71.1Confident75.1Confident41 Ų4148 Ų4822%0.21528%0.284CS..Hα-helixtrans-65.5-44.5178.5-161.1161.7000110.8L94 Y165 T200 R204 A205 G206L94-L202 HydrophobicContact CB-CD2 3.55Å; L94-L202 HydrophobicContact CB-CG 3.78Å; L94-L202 HydrophobicContact CD1-CD2 3.75Å; L94-L202 HydrophobicContact CG-CD2 4.32Å; Y165-L202 HydrophobicContact CE1-CD2 4.2Å; Y165-L202 HydrophobicContact CE2-CD1 4Å; Y165-L202 HydrophobicContact CE2-CD2 3.75Å; Y165-L202 HydrophobicContact CE2-CG 4.41Å; T200-L202 PolarHBondContact O-N 2.92Å; L202-R204 VanDerWaalsContact C-N 3.31Å; L202-R204 PolarHBondContact O-N 2.79Å; L202-A205 PolarHBondContact O-N 2.83Å; L202-G206 PolarHBondContact O-N 2.9Å
203L68.6Low74.1Confident23 Ų2354.1 Ų54.112%0.1231%0.312CS..Hα-helixtrans-58.7-44.3174.2-170.172.8000111.6V197 V198 T200 G206 G207 Y208V197-L203 HydrophobicContact CG1-CD1 3.6Å; V197-L203 HydrophobicContact CG1-CD2 3.85Å; V197-L203 HydrophobicContact CG1-CG 4.41Å; V198-L203 WeakPolarHBondContact O-CB 3.48Å; V198-L203 VanDerWaalsContact O-CD2 3.26Å; V198-L203 WeakPolarHBondContact O-CD2 3.38Å; T200-L203 PolarHBondContact O-N 3.42Å; T200-L203 PolarHBondContact OG1-N 3.4Å; L203-G206 PolarHBondContact O-N 2.91Å; L203-G207 PolarHBondContact O-N 3.1Å; L203-Y208 CarbonylContact C-O 3.39Å; L203-Y208 HydrophobicContact CD1-CD2 4.38Å; L203-Y208 HydrophobicContact CD1-CG 4.45Å; L203-Y208 PolarHBondContact O-N 3.04Å
204R77.8Confident72.9Confident143 Ų14355.6 Ų55.654%0.5432%0.321SS..Hα-helixtrans-65.5-41.2177.3-69.9-170.6-68.2-847.2113A199 T200 K201 L202 G206 G207A199-R204 PolarHBondContact O-NH1 3.24Å; A199-R204 VanDerWaalsContact O-NH1 3.11Å; T200-R204 PolarHBondContact O-N 2.89Å; T200-R204 VanDerWaalsContact O-N 3.15Å; T200-R204 PolarHBondContact O-NH1 3.15Å; K201-R204 VanDerWaalsContact CG-NH2 3.34Å; K201-R204 PolarHBondContact O-N 3.12Å; L202-R204 VanDerWaalsContact C-N 3.31Å; L202-R204 PolarHBondContact O-N 2.79Å; R204-G206 PolarHBondContact O-N 3.38Å; R204-G207 WeakPolarHBondContact O-CA 3.14Å; R204-G207 PolarHBondContact O-N 2.82Å
205A67.4Low72.1Confident50 Ų5057.2 Ų57.241%0.41333%0.33SS..Hα-helixtrans-61.6-32.4174.700000111.7L94 K201 L202 G207L94-A205 HydrophobicContact CD2-CB 4.49Å; K201-A205 WeakPolarHBondContact O-CB 3.48Å; K201-A205 PolarHBondContact O-N 2.93Å; L202-A205 PolarHBondContact O-N 2.83Å; A205-G207 VanDerWaalsContact C-N 3.25Å; A205-G207 PolarHBondContact O-N 3.32Å
206G57.4Low71.7Confident2 Ų259 Ų592%0.02134%0.341CS..Hα-helixtrans-67.8-22.2170.500000114.3K161 Y162 L202 L203 R204K161-G206 PolarHBondContact NZ-O 3.2Å; Y162-G206 VanDerWaalsContact CE2-O 3.31Å; Y162-G206 WeakPolarHBondContact CE2-O 3.11Å; Y162-G206 VanDerWaalsContact CZ-O 3.3Å; Y162-G206 WeakPolarHBondContact OH-CA 3.44Å; Y162-G206 PolarHBondContact OH-O 3.37Å; L202-G206 PolarHBondContact O-N 2.9Å; L203-G206 PolarHBondContact O-N 2.91Å; R204-G206 PolarHBondContact O-N 3.38Å
207G65.1Low71.7Confident61 Ų6158.5 Ų58.563%0.62934%0.336SS*.THydrogen-bonded Turntrans91.118.1-173.900000114.1L203 R204 A205L203-G207 PolarHBondContact O-N 3.1Å; R204-G207 WeakPolarHBondContact O-CA 3.14Å; R204-G207 PolarHBondContact O-N 2.82Å; A205-G207 VanDerWaalsContact C-N 3.25Å; A205-G207 PolarHBondContact O-N 3.32Å
208Y65.1Low72.4Confident120 Ų12055.7 Ų55.747%0.47132%0.319SS..  trans-108.6164.5172.9-66.4-58.8000111.6Y162 L203Y162-Y208 HydrophobicContact CE1-CD2 4.19Å; Y162-Y208 AromaticContact CE1-CE2 3.76Å; Y162-Y208 HydrophobicContact CE1-CE2 3.76Å; Y162-Y208 HydrophobicContact CE2-CD2 4.44Å; Y162-Y208 AromaticContact CE2-CE2 3.7Å; Y162-Y208 HydrophobicContact CE2-CE2 3.7Å; Y162-Y208 AromaticContact CZ-CD2 3.63Å; Y162-Y208 AromaticContact CZ-CE2 3.18Å; Y162-Y208 WeakPolarHBondContact OH-CD2 3.3Å; Y162-Y208 WeakPolarHBondContact OH-CE2 3.41Å; L203-Y208 CarbonylContact C-O 3.39Å; L203-Y208 HydrophobicContact CD1-CD2 4.38Å; L203-Y208 HydrophobicContact CD1-CG 4.45Å; L203-Y208 PolarHBondContact O-N 3.04Å
209S65.2Low73.3Confident108 Ų10858.3 Ų58.376%0.75533%0.331SS*.  trans-133.7157.817263.30000109.8
210S67.9Low74.4Confident35 Ų3557 Ų5725%0.24532%0.32CS..  trans-147.5152.3175.6-176.70000108.9V197 A199 D212V197-S210 WeakPolarHBondContact O-CB 3.46Å; V197-S210 PolarHBondContact O-OG 3.23Å; A199-S210 WeakPolarHBondContact CB-O 3.39Å; S210-D212 PolarHBondContact OG-N 3.4Å
211S66.5Low75.4Confident112 Ų11256 Ų5678%0.78331%0.314SS*.SBendtrans-84-18.416652.40000112.4E213S211-E213 PolarHBondContact O-N 2.86Å
212D67.3Low76.6Confident51 Ų5151 Ų5127%0.27329%0.293SS..SBendtrans-69117.9179.9-73.40000109.2V198 A199 S210 K240V198-D212 CarbonylContact C-O 3.55Å; V198-D212 WeakPolarHBondContact CA-O 3.17Å; V198-D212 HydrophobicContact CG1-CB 4.14Å; A199-D212 WeakPolarHBondContact CB-O 3.39Å; A199-D212 PolarHBondContact N-O 3.33Å; S210-D212 PolarHBondContact OG-N 3.4Å; D212-K240 IonicContact OD2-NZ 2.99Å; D212-K240 PolarHBondContact OD2-NZ 2.8Å
213E76.4Confident77.9Confident128 Ų12851 Ų5160%0.59829%0.29SS*.  trans-68.5150.7-179.4-64.8-175.1175.800111.5S211 L215 T216S211-E213 PolarHBondContact O-N 2.86Å; E213-L215 HydrophobicContact CB-CB 4.41Å; E213-L215 PolarHBondContact O-N 2.98Å; E213-T216 PolarHBondContact O-N 2.78Å; E213-T216 PolarHBondContact O-OG1 3.4Å
214P73.6Confident79.3Confident30 Ų3050 Ų5020%0.19529%0.285CS..THydrogen-bonded Turntrans-52.8-22.4175.2-26.835000114.7Q18 T200 T216 G217Q18-P214 HydrophobicContact CG-CB 4.16Å; T200-P214 HydrophobicContact CG2-CB 4.34Å; T200-P214 HydrophobicContact CG2-CG 4.2Å; P214-T216 VanDerWaalsContact C-N 3.31Å; P214-T216 PolarHBondContact O-N 2.97Å; P214-G217 PolarHBondContact O-N 2.88Å
215L77.8Confident80.2Confident51 Ų5143.4 Ų43.427%0.26726%0.26SS..THydrogen-bonded Turntrans-55.9-42.4173.217963000112.1Q18 R22 E213 G217 S218 H219Q18-L215 HydrophobicContact CG-CB 4.49Å; R22-L215 HydrophobicContact CG-CD1 4.26Å; E213-L215 HydrophobicContact CB-CB 4.41Å; E213-L215 PolarHBondContact O-N 2.98Å; L215-G217 VanDerWaalsContact C-N 3.32Å; L215-G217 PolarHBondContact O-N 2.72Å; L215-S218 WeakPolarHBondContact O-CB 3.48Å; L215-S218 PolarHBondContact O-N 2.99Å; L215-S218 VanDerWaalsContact O-N 3.12Å; L215-S218 PolarHBondContact O-OG 3.13Å; L215-H219 PolarHBondContact O-CD2 3.03Å; L215-H219 VanDerWaalsContact O-CD2 3.31Å
216T82.7Confident81.6Confident45 Ų4543.6 Ų43.628%0.27625%0.253SS..G310 helixtrans-64.8-38.9-178.162.20000111.4V198 E213 P214 S218 H219V198-T216 WeakPolarHBondContact CG1-OG1 3.29Å; E213-T216 PolarHBondContact O-N 2.78Å; E213-T216 PolarHBondContact O-OG1 3.4Å; P214-T216 VanDerWaalsContact C-N 3.31Å; P214-T216 PolarHBondContact O-N 2.97Å; T216-S218 PolarHBondContact O-N 2.78Å; T216-S218 VanDerWaalsContact O-N 3.15Å; T216-H219 WeakPolarHBondContact O-CB 3.32Å; T216-H219 PolarHBondContact O-N 3.28Å
217G83.9Confident83.4Confident1 Ų144.8 Ų44.81%0.0126%0.261CS..G310 helixtrans-66.9-12.9177.100000114.6I15 Y193 P214 L215I15-G217 WeakPolarHBondContact CG2-O 3.42Å; Y193-G217 WeakPolarHBondContact CE2-O 3.34Å; Y193-G217 PolarHBondContact OH-O 3.23Å; P214-G217 PolarHBondContact O-N 2.88Å; L215-G217 VanDerWaalsContact C-N 3.32Å; L215-G217 PolarHBondContact O-N 2.72Å
218S90.9Very high84.8Confident0 Ų048.4 Ų48.40%027%0.266CS..G310 helixtrans-87.7-17.3177.974.50000114T19 R22 L215 T216 T220 A221 V222T19-S218 WeakPolarHBondContact OG1-CB 3.46Å; R22-S218 WeakPolarHBondContact CD-OG 3.5Å; L215-S218 WeakPolarHBondContact O-CB 3.48Å; L215-S218 PolarHBondContact O-N 2.99Å; L215-S218 VanDerWaalsContact O-N 3.12Å; L215-S218 PolarHBondContact O-OG 3.13Å; T216-S218 PolarHBondContact O-N 2.78Å; T216-S218 VanDerWaalsContact O-N 3.15Å; S218-T220 PolarHBondContact O-N 3.28Å; S218-A221 PolarHBondContact O-N 3.07Å; S218-V222 WeakPolarHBondContact O-CG2 3.42Å; S218-V222 PolarHBondContact O-N 3.3Å; S218-V222 VanDerWaalsContact O-N 3.11Å
219H93.1Very high86.3Confident62 Ų6249.9 Ų49.929%0.28728%0.277SS..Hα-helixtrans-61.6-47.2-172.8-70.5179.6000112.7R22 L215 T216 V222 Y223 Q242R22-H219 PolarHBondContact NH1-CD2 3.28Å; R22-H219 PolarHBondContact NH1-NE2 3.35Å; L215-H219 PolarHBondContact O-CD2 3.03Å; L215-H219 VanDerWaalsContact O-CD2 3.31Å; T216-H219 WeakPolarHBondContact O-CB 3.32Å; T216-H219 PolarHBondContact O-N 3.28Å; H219-V222 PolarHBondContact O-N 3.3Å; H219-Y223 WeakPolarHBondContact O-CB 3.42Å; H219-Y223 PolarHBondContact O-N 3.11Å; H219-Q242 PolarHBondContact O-NE2 3.49Å
220T96.2Very high87.8Confident0 Ų045 Ų450%024%0.242CC..Hα-helixtrans-69-36.6179.9-540000111.8Y193 S218 V222 Y223 L224 F238 N239 K240Y193-T220 HydrophobicContact CD1-CG2 4.46Å; Y193-T220 VanDerWaalsContact CD2-CB 3.48Å; Y193-T220 HydrophobicContact CD2-CG2 3.64Å; Y193-T220 HydrophobicContact CE2-CG2 4.42Å; Y193-T220 HydrophobicContact CG-CG2 3.67Å; S218-T220 PolarHBondContact O-N 3.28Å; T220-V222 PolarHBondContact O-N 2.84Å; T220-Y223 PolarHBondContact O-N 2.88Å; T220-L224 HydrophobicContact CG2-CD1 3.87Å; T220-L224 HydrophobicContact CG2-CG 4.12Å; T220-L224 WeakPolarHBondContact O-CB 3.46Å; T220-L224 VanDerWaalsContact O-CG 3.24Å; T220-L224 WeakPolarHBondContact O-CG 3.38Å; T220-L224 PolarHBondContact O-N 3.04Å; T220-F238 HydrophobicContact CG2-CB 3.84Å; T220-N239 WeakPolarHBondContact CG2-O 3.37Å; T220-N239 PolarHBondContact OG1-O 3.16Å; T220-K240 PolarHBondContact OG1-O 3.1Å
221A97.2Very high89.2Confident0 Ų044.2 Ų44.20%024%0.238CC..Hα-helixtrans-59.2-49.2174.700000111.9T19 V88 Y193 S218 L224 V225T19-A221 HydrophobicContact CG2-CB 3.92Å; V88-A221 HydrophobicContact CG1-CB 4.21Å; Y193-A221 HydrophobicContact CE1-CB 3.75Å; Y193-A221 WeakPolarHBondContact OH-CB 3.27Å; S218-A221 PolarHBondContact O-N 3.07Å; A221-L224 PolarHBondContact O-N 3.15Å; A221-V225 WeakPolarHBondContact O-CG2 3.37Å; A221-V225 PolarHBondContact O-N 3.38Å; A221-V225 VanDerWaalsContact O-N 3.12Å
222V97.4Very high90.6Very high9 Ų946.1 Ų46.16%0.05524%0.24CC..Hα-helixtrans-63-45.6179.2173.60000110.6T19 R22 L23 S218 H219 T220 L224 V225 E226T19-V222 HydrophobicContact CG2-CG2 4.35Å; R22-V222 HydrophobicContact CB-CG2 3.68Å; L23-V222 HydrophobicContact CD2-CG1 4.21Å; L23-V222 HydrophobicContact CD2-CG2 4.19Å; L23-V222 HydrophobicContact CG-CG2 4.21Å; S218-V222 WeakPolarHBondContact O-CG2 3.42Å; S218-V222 PolarHBondContact O-N 3.3Å; S218-V222 VanDerWaalsContact O-N 3.11Å; H219-V222 PolarHBondContact O-N 3.3Å; T220-V222 PolarHBondContact O-N 2.84Å; V222-L224 PolarHBondContact O-N 3.38Å; V222-V225 WeakPolarHBondContact O-CG2 3.35Å; V222-V225 PolarHBondContact O-N 2.99Å; V222-E226 HydrophobicContact CG1-CG 4.26Å; V222-E226 WeakPolarHBondContact CG1-OE2 3.32Å; V222-E226 WeakPolarHBondContact O-CB 3.46Å; V222-E226 PolarHBondContact O-N 3.13Å
223Y97.7Very high92Very high41 Ų4145.5 Ų45.516%0.16124%0.238CC..Hα-helixtrans-55.4-48.9175.1171.7-105.4000112.3H219 T220 V225 E226 S227 E229 V230 F238 Q242H219-Y223 WeakPolarHBondContact O-CB 3.42Å; H219-Y223 PolarHBondContact O-N 3.11Å; T220-Y223 PolarHBondContact O-N 2.88Å; Y223-V225 VanDerWaalsContact C-N 3.32Å; Y223-V225 PolarHBondContact O-N 2.98Å; Y223-E226 PolarHBondContact O-N 3.45Å; Y223-S227 VanDerWaalsContact CD2-CB 3.48Å; Y223-S227 WeakPolarHBondContact CE2-OG 3.41Å; Y223-S227 WeakPolarHBondContact O-CB 3.35Å; Y223-S227 PolarHBondContact O-N 3.48Å; Y223-E229 WeakPolarHBondContact CE2-OE2 3.35Å; Y223-E229 PolarHBondContact OH-OE2 2.87Å; Y223-V230 HydrophobicContact CD1-CG1 4.48Å; Y223-V230 HydrophobicContact CD1-CG2 4.39Å; Y223-V230 HydrophobicContact CE1-CB 4.44Å; Y223-V230 HydrophobicContact CE1-CG1 3.5Å; Y223-V230 HydrophobicContact CE1-CG2 4.1Å; Y223-V230 WeakPolarHBondContact OH-CG1 3.46Å; Y223-F238 HydrophobicContact CE1-CE1 4.33Å; Y223-Q242 HydrophobicContact CD1-CB 3.94Å; Y223-Q242 HydrophobicContact CD1-CG 4.01Å; Y223-Q242 HydrophobicContact CE1-CB 4.12Å; Y223-Q242 HydrophobicContact CG-CB 4.27Å; Y223-Q242 HydrophobicContact CG-CG 3.97Å
224L98.3Very high93.1Very high1 Ų141.6 Ų41.61%0.00522%0.221CC..Hα-helixtrans-65.6-32.9-177.9-70.4175.6000112.9R134 V136 N191 Y193 T220 A221 V222 V230 F238R134-L224 WeakPolarHBondContact CD-O 3.42Å; R134-L224 PolarHBondContact NH1-O 3.33Å; V136-L224 HydrophobicContact CG1-CB 4.32Å; V136-L224 HydrophobicContact CG1-CD1 3.85Å; V136-L224 HydrophobicContact CG2-CB 3.51Å; V136-L224 HydrophobicContact CG2-CD1 4.33Å; N191-L224 HydrophobicContact CB-CD1 4.41Å; N191-L224 HydrophobicContact CB-CD2 4.48Å; Y193-L224 HydrophobicContact CD1-CD1 4.18Å; Y193-L224 HydrophobicContact CG-CD1 4.34Å; T220-L224 HydrophobicContact CG2-CD1 3.87Å; T220-L224 HydrophobicContact CG2-CG 4.12Å; T220-L224 WeakPolarHBondContact O-CB 3.46Å; T220-L224 VanDerWaalsContact O-CG 3.24Å; T220-L224 WeakPolarHBondContact O-CG 3.38Å; T220-L224 PolarHBondContact O-N 3.04Å; A221-L224 PolarHBondContact O-N 3.15Å; V222-L224 PolarHBondContact O-N 3.38Å; L224-V230 HydrophobicContact CD2-CB 4.45Å; L224-V230 HydrophobicContact CD2-CG1 4.44Å; L224-V230 HydrophobicContact CD2-CG2 4.25Å; L224-F238 HydrophobicContact CD1-CD2 4.19Å; L224-F238 HydrophobicContact CD1-CG 4.49Å; L224-F238 HydrophobicContact CD2-CD1 4.33Å; L224-F238 HydrophobicContact CD2-CD2 3.64Å; L224-F238 HydrophobicContact CD2-CE1 4.27Å; L224-F238 HydrophobicContact CD2-CE2 3.57Å; L224-F238 HydrophobicContact CD2-CG 4.02Å; L224-F238 HydrophobicContact CD2-CZ 3.89Å
225V97.6Very high94.3Very high4 Ų441.5 Ų41.52%0.02423%0.225CC..Hα-helixtrans-86.8-25.4177.9-57.40000114.3F6 L23 A86 V88 R134 V136 A221 V222 Y223F6-V225 HydrophobicContact CD1-CB 4.14Å; F6-V225 HydrophobicContact CD1-CG2 3.89Å; F6-V225 HydrophobicContact CE1-CB 3.96Å; F6-V225 HydrophobicContact CE1-CG2 3.75Å; L23-V225 HydrophobicContact CD1-CG2 4.44Å; L23-V225 HydrophobicContact CD2-CG2 3.58Å; A86-V225 HydrophobicContact CB-CB 4.17Å; A86-V225 HydrophobicContact CB-CG1 4.13Å; V88-V225 HydrophobicContact CG2-CG1 3.78Å; R134-V225 PolarHBondContact NH1-O 3.21Å; V136-V225 HydrophobicContact CB-CG1 4.29Å; V136-V225 HydrophobicContact CG2-CG1 3.52Å; A221-V225 WeakPolarHBondContact O-CG2 3.37Å; A221-V225 PolarHBondContact O-N 3.38Å; A221-V225 VanDerWaalsContact O-N 3.12Å; V222-V225 WeakPolarHBondContact O-CG2 3.35Å; V222-V225 PolarHBondContact O-N 2.99Å; Y223-V225 VanDerWaalsContact C-N 3.32Å; Y223-V225 PolarHBondContact O-N 2.98Å
226E95.5Very high95.2Very high55 Ų5539.8 Ų39.826%0.25722%0.217SC..Hα-helixtrans-103.8-43.2-174.7-66.6-176159.500114.6L23 H29 V222 Y223L23-E226 HydrophobicContact CD2-CG 3.95Å; L23-E226 WeakPolarHBondContact CD2-OE1 3.15Å; H29-E226 IonicContact CE1-OE1 2.94Å; H29-E226 PolarHBondContact CE1-OE1 3.01Å; H29-E226 IonicContact ND1-OE1 2.73Å; H29-E226 PolarHBondContact ND1-OE1 2.94Å; V222-E226 HydrophobicContact CG1-CG 4.26Å; V222-E226 WeakPolarHBondContact CG1-OE2 3.32Å; V222-E226 WeakPolarHBondContact O-CB 3.46Å; V222-E226 PolarHBondContact O-N 3.13Å; Y223-E226 PolarHBondContact O-N 3.45Å
227S95.6Very high96Very high26 Ų2637.9 Ų37.918%0.18221%0.205CC..  trans-68.7135.4-163.5176.10000113.1R134 Y223 E229 V230 A231R134-S227 PolarHBondContact NH1-O 2.73Å; R134-S227 PolarHBondContact NH2-O 3.43Å; Y223-S227 VanDerWaalsContact CD2-CB 3.48Å; Y223-S227 WeakPolarHBondContact CE2-OG 3.41Å; Y223-S227 WeakPolarHBondContact O-CB 3.35Å; Y223-S227 PolarHBondContact O-N 3.48Å; S227-E229 VanDerWaalsContact C-N 3.26Å; S227-E229 PolarHBondContact O-N 3.05Å; S227-E229 PolarHBondContact OG-N 3Å; S227-V230 PolarHBondContact O-N 3.27Å; S227-A231 PolarHBondContact O-N 3.44Å
228D95.4Very high96.7Very high138 Ų13838.2 Ų38.274%0.73821%0.206SC*.G310 helixtrans-68.8-25.2176.6-70.6-29.2000112.7V230 A231D228-V230 PolarHBondContact O-N 2.87Å; D228-A231 VanDerWaalsContact O-CB 3.26Å; D228-A231 WeakPolarHBondContact O-CB 3.5Å; D228-A231 PolarHBondContact O-N 3.34Å; D228-A231 VanDerWaalsContact O-N 3.12Å
229E96.6Very high96.8Very high151 Ų15139.4 Ų39.471%0.70621%0.213SC*.G310 helixtrans-59.7-31.4177.9-63.5175.1-177.700112.8Y223 S227Y223-E229 WeakPolarHBondContact CE2-OE2 3.35Å; Y223-E229 PolarHBondContact OH-OE2 2.87Å; S227-E229 VanDerWaalsContact C-N 3.26Å; S227-E229 PolarHBondContact O-N 3.05Å; S227-E229 PolarHBondContact OG-N 3Å
230V96.9Very high96.8Very high4 Ų439.5 Ų39.52%0.02421%0.212CC..G310 helixtrans-11012.5-179.7-65.10000112.7Y223 L224 S227 D228 N232 V233 F238Y223-V230 HydrophobicContact CD1-CG1 4.48Å; Y223-V230 HydrophobicContact CD1-CG2 4.39Å; Y223-V230 HydrophobicContact CE1-CB 4.44Å; Y223-V230 HydrophobicContact CE1-CG1 3.5Å; Y223-V230 HydrophobicContact CE1-CG2 4.1Å; Y223-V230 WeakPolarHBondContact OH-CG1 3.46Å; L224-V230 HydrophobicContact CD2-CB 4.45Å; L224-V230 HydrophobicContact CD2-CG1 4.44Å; L224-V230 HydrophobicContact CD2-CG2 4.25Å; S227-V230 PolarHBondContact O-N 3.27Å; D228-V230 PolarHBondContact O-N 2.87Å; V230-N232 PolarHBondContact O-N 3.46Å; V230-N232 VanDerWaalsContact O-N 3.16Å; V230-V233 HydrophobicContact CB-CB 4.1Å; V230-V233 HydrophobicContact CB-CG2 4.18Å; V230-V233 HydrophobicContact CG1-CB 4.37Å; V230-V233 HydrophobicContact CG1-CG2 4.15Å; V230-V233 PolarHBondContact O-N 2.94Å; V230-V233 VanDerWaalsContact O-N 3.11Å; V230-F238 HydrophobicContact CG1-CE1 4.29Å; V230-F238 HydrophobicContact CG1-CZ 4.02Å
231A96Very high96.6Very high20 Ų2044.6 Ų44.617%0.16524%0.236CC..THydrogen-bonded Turntrans-56.8-34.8-177.900000113.7R134 S227 D228R134-A231 VanDerWaalsContact NH2-CA 3.28Å; R134-A231 VanDerWaalsContact NH2-CB 3.31Å; S227-A231 PolarHBondContact O-N 3.44Å; D228-A231 VanDerWaalsContact O-CB 3.26Å; D228-A231 WeakPolarHBondContact O-CB 3.5Å; D228-A231 PolarHBondContact O-N 3.34Å; D228-A231 VanDerWaalsContact O-N 3.12Å
232N96.1Very high96.5Very high151 Ų15148.2 Ų48.281%0.80725%0.253SS*.THydrogen-bonded Turntrans-111.78.1-179.9-59.6-50.2000112.8V230V230-N232 PolarHBondContact O-N 3.46Å; V230-N232 VanDerWaalsContact O-N 3.16Å
233V98.1Very high96.4Very high39 Ų3951.3 Ų51.324%0.23627%0.272CS..  trans-79.8124.71771760000108.3T189 N191 V230 C236 F238T189-V233 VanDerWaalsContact CB-O 3.26Å; T189-V233 WeakPolarHBondContact CB-O 3.07Å; T189-V233 WeakPolarHBondContact CG2-O 3.16Å; N191-V233 PolarHBondContact ND2-O 3.3Å; N191-V233 PolarHBondContact OD1-O 3.06Å; V230-V233 HydrophobicContact CB-CB 4.1Å; V230-V233 HydrophobicContact CB-CG2 4.18Å; V230-V233 HydrophobicContact CG1-CB 4.37Å; V230-V233 HydrophobicContact CG1-CG2 4.15Å; V230-V233 PolarHBondContact O-N 2.94Å; V230-V233 VanDerWaalsContact O-N 3.11Å; V233-C236 HydrophobicContact CG1-CB 3.67Å; V233-C236 VanDerWaalsContact CG1-SG 3.54Å; V233-F238 HydrophobicContact CG1-CE2 4.16Å; V233-F238 HydrophobicContact CG1-CZ 3.98Å
234N98.4Very high96.3Very high46 Ų4655.1 Ų55.125%0.24629%0.289CS..  trans-132.9141.9-176-168.431.3000110A180 T189 C190 C236A180-N234 VanDerWaalsContact CB-OD1 3.28Å; A180-N234 WeakPolarHBondContact CB-OD1 3.31Å; A180-N234 PolarHBondContact O-ND2 3.17Å; T189-N234 WeakPolarHBondContact CA-OD1 3.47Å; T189-N234 HydrophobicContact CG2-CB 4.03Å; C190-N234 PolarHBondContact N-OD1 2.69Å; C190-N234 PolarHBondContact O-OD1 3.41Å; N234-C236 VanDerWaalsContact C-N 3.3Å; N234-C236 PolarHBondContact O-N 3.24Å
235G98.2Very high96.2Very high27 Ų2757.5 Ų57.528%0.27830%0.302SS..SBendtrans6628.5175.700000114.3F177 C190 N191F177-G235 WeakPolarHBondContact CD1-O 3.35Å; F177-G235 WeakPolarHBondContact CE1-O 3.35Å; C190-G235 WeakPolarHBondContact O-CA 3.47Å; C190-G235 PolarHBondContact O-N 3.2Å; N191-G235 PolarHBondContact OD1-N 3.33Å
236C98.3Very high96.1Very high15 Ų1564.9 Ų64.910%0.10134%0.336CS..  trans-106.8154.6179.8-69.60000112.2N191 V192 V233 N234 F238 K244N191-C236 PolarHBondContact OD1-N 3.39Å; V192-C236 PolarHBondContact N-O 3.48Å; V233-C236 HydrophobicContact CG1-CB 3.67Å; V233-C236 VanDerWaalsContact CG1-SG 3.54Å; N234-C236 VanDerWaalsContact C-N 3.3Å; N234-C236 PolarHBondContact O-N 3.24Å; C236-F238 HydrophobicContact CB-CD2 4.32Å; C236-F238 HydrophobicContact CB-CE2 3.58Å; C236-F238 HydrophobicContact CB-CZ 4.21Å; C236-K244 HydrophobicContact CB-CD 4.21Å; C236-K244 HydrophobicContact CB-CG 4.38Å; C236-K244 VanDerWaalsContact SG-CE 3.51Å; C236-K244 PolarHBondContact SG-NZ 3.11Å; C236-K244 VanDerWaalsContact SG-NZ 3.39Å
237F98.4Very high96.2Very high5 Ų563.7 Ų63.72%0.02233%0.333CS..EExtended strand (participates in β ladder)trans-108.7133.9175.8176.5-147.1000110.2Y143 H173 F177 V192 E194 K244 I245 P247Y143-F237 HydrophobicContact CD1-CZ 4.35Å; Y143-F237 AromaticContact CE1-CE1 3.82Å; Y143-F237 HydrophobicContact CE1-CE1 3.82Å; Y143-F237 AromaticContact CE1-CZ 3.95Å; Y143-F237 HydrophobicContact CE1-CZ 3.95Å; Y143-F237 AromaticContact CZ-CE1 3.89Å; H173-F237 AromaticContact CE1-CD1 3.76Å; H173-F237 AromaticContact CE1-CD2 3.56Å; H173-F237 AromaticContact CE1-CE1 3.62Å; H173-F237 AromaticContact CE1-CE2 3.44Å; H173-F237 VanDerWaalsContact CE1-CE2 3.44Å; H173-F237 WeakPolarHBondContact CE1-CE2 3.25Å; H173-F237 AromaticContact CE1-CG 3.74Å; H173-F237 AromaticContact CE1-CZ 3.48Å; H173-F237 VanDerWaalsContact CE1-CZ 3.48Å; H173-F237 WeakPolarHBondContact CE1-CZ 3.38Å; H173-F237 AromaticContact NE2-CE2 3.73Å; H173-F237 AromaticContact NE2-CZ 4Å; F177-F237 HydrophobicContact CZ-CB 4.15Å; V192-F237 HydrophobicContact CG1-CB 3.98Å; V192-F237 HydrophobicContact CG1-CD2 3.95Å; V192-F237 HydrophobicContact CG1-CG 4.27Å; V192-F237 CarbonylContact O-C 3.44Å; V192-F237 VanDerWaalsContact O-CA 3.29Å; V192-F237 WeakPolarHBondContact O-CA 3.35Å; E194-F237 HydrophobicContact CB-CE2 3.93Å; E194-F237 HydrophobicContact CB-CZ 4.1Å; E194-F237 HydrophobicContact CG-CE2 3.81Å; E194-F237 HydrophobicContact CG-CZ 3.7Å; F237-K244 CarbonylContact O-C 3.15Å; F237-K244 VanDerWaalsContact O-CA 3.32Å; F237-K244 WeakPolarHBondContact O-CA 3.07Å; F237-I245 HydrophobicContact CD1-CD1 3.61Å; F237-I245 HydrophobicContact CD1-CG1 3.49Å; F237-I245 VanDerWaalsContact CD1-CG1 3.49Å; F237-I245 HydrophobicContact CD2-CD1 4.42Å; F237-I245 HydrophobicContact CD2-CG1 4.38Å; F237-I245 HydrophobicContact CE1-CD1 3.15Å; F237-I245 HydrophobicContact CE1-CG1 3.64Å; F237-I245 HydrophobicContact CE2-CD1 4.04Å; F237-I245 HydrophobicContact CE2-CG1 4.49Å; F237-I245 HydrophobicContact CG-CD1 4.22Å; F237-I245 HydrophobicContact CG-CG1 3.88Å; F237-I245 HydrophobicContact CZ-CD1 3.39Å; F237-I245 HydrophobicContact CZ-CG1 4.14Å; F237-I245 PolarHBondContact O-N 2.91Å; F237-P247 HydrophobicContact CD1-CB 4.4Å
238F98.2Very high96.2Very high9 Ų963.5 Ų63.54%0.03933%0.332CS..EExtended strand (participates in β ladder)trans-125.4153.1-179.3-66.6-99.7000112.4N191 V192 Y193 E194 T220 Y223 L224 V230 V233 C236 T243 K244N191-F238 HydrophobicContact CB-CE2 4.37Å; V192-F238 PolarHBondContact O-N 3.2Å; Y193-F238 CarbonylContact C-O 3.57Å; Y193-F238 WeakPolarHBondContact CA-O 3.38Å; Y193-F238 VanDerWaalsContact CB-O 3.29Å; Y193-F238 WeakPolarHBondContact CB-O 3.29Å; E194-F238 PolarHBondContact N-O 3.32Å; T220-F238 HydrophobicContact CG2-CB 3.84Å; Y223-F238 HydrophobicContact CE1-CE1 4.33Å; L224-F238 HydrophobicContact CD1-CD2 4.19Å; L224-F238 HydrophobicContact CD1-CG 4.49Å; L224-F238 HydrophobicContact CD2-CD1 4.33Å; L224-F238 HydrophobicContact CD2-CD2 3.64Å; L224-F238 HydrophobicContact CD2-CE1 4.27Å; L224-F238 HydrophobicContact CD2-CE2 3.57Å; L224-F238 HydrophobicContact CD2-CG 4.02Å; L224-F238 HydrophobicContact CD2-CZ 3.89Å; V230-F238 HydrophobicContact CG1-CE1 4.29Å; V230-F238 HydrophobicContact CG1-CZ 4.02Å; V233-F238 HydrophobicContact CG1-CE2 4.16Å; V233-F238 HydrophobicContact CG1-CZ 3.98Å; C236-F238 HydrophobicContact CB-CD2 4.32Å; C236-F238 HydrophobicContact CB-CE2 3.58Å; C236-F238 HydrophobicContact CB-CZ 4.21Å; F238-T243 VanDerWaalsContact CA-O 3.29Å; F238-T243 WeakPolarHBondContact CA-O 3.48Å; F238-K244 HydrophobicContact CD1-CB 4.28Å; F238-K244 HydrophobicContact CE1-CB 3.99Å; F238-K244 HydrophobicContact CZ-CB 4.37Å
239N94.5Very high96.3Very high24 Ų2461.3 Ų61.313%0.12833%0.332CS..  trans-97.4-177.6172.268.43000112.8E194 T220 E241 Q242 T243 I245E194-N239 CarbonylContact O-C 3.25Å; E194-N239 WeakPolarHBondContact OE1-CA 3.37Å; E194-N239 WeakPolarHBondContact OE1-CB 3.28Å; T220-N239 WeakPolarHBondContact CG2-O 3.37Å; T220-N239 PolarHBondContact OG1-O 3.16Å; N239-E241 PolarHBondContact ND2-OE2 2.91Å; N239-E241 PolarHBondContact O-N 3.23Å; N239-E241 WeakPolarHBondContact OD1-CA 3.36Å; N239-E241 PolarHBondContact OD1-N 3.48Å; N239-E241 VanDerWaalsContact OD1-N 3.11Å; N239-Q242 PolarHBondContact O-N 2.67Å; N239-Q242 VanDerWaalsContact O-N 3.13Å; N239-Q242 PolarHBondContact OD1-N 3.33Å; N239-T243 PolarHBondContact N-O 3.3Å; N239-T243 WeakPolarHBondContact OD1-CA 3.42Å; N239-T243 WeakPolarHBondContact OD1-CB 3.2Å; N239-T243 PolarHBondContact OD1-N 3.4Å; N239-T243 PolarHBondContact OD1-O 2.98Å; N239-I245 HydrophobicContact CB-CD1 3.98Å; N239-I245 HydrophobicContact CB-CG2 4.44Å
240K91.8Very high96.4Very high65 Ų6555.3 Ų55.328%0.28331%0.305SS..THydrogen-bonded Turntrans-63.8-21.5176.876.7-178.4-168.3173.40114E194 D212 T220 Q242E194-K240 PolarHBondContact O-N 3.35Å; E194-K240 PolarHBondContact OE1-N 3.18Å; D212-K240 IonicContact OD2-NZ 2.99Å; D212-K240 PolarHBondContact OD2-NZ 2.8Å; T220-K240 PolarHBondContact OG1-O 3.1Å; K240-Q242 VanDerWaalsContact C-N 3.29Å; K240-Q242 PolarHBondContact O-N 2.89Å
241E92Very high96.4Very high107 Ų10755.1 Ų55.150%0.530%0.303SS..THydrogen-bonded Turntrans-88.216.8174.1-6177.7-16200113.5N239 T243N239-E241 PolarHBondContact ND2-OE2 2.91Å; N239-E241 PolarHBondContact O-N 3.23Å; N239-E241 WeakPolarHBondContact OD1-CA 3.36Å; N239-E241 PolarHBondContact OD1-N 3.48Å; N239-E241 VanDerWaalsContact OD1-N 3.11Å; E241-T243 PolarHBondContact O-N 3.43Å; E241-T243 PolarHBondContact O-OG1 2.95Å
242Q95.1Very high96.4Very high75 Ų7556.8 Ų56.835%0.3531%0.314SS..SBendtrans59.519.3178.9-58.3161.7-25.300113.6H219 Y223 N239 K240H219-Q242 PolarHBondContact O-NE2 3.49Å; Y223-Q242 HydrophobicContact CD1-CB 3.94Å; Y223-Q242 HydrophobicContact CD1-CG 4.01Å; Y223-Q242 HydrophobicContact CE1-CB 4.12Å; Y223-Q242 HydrophobicContact CG-CB 4.27Å; Y223-Q242 HydrophobicContact CG-CG 3.97Å; N239-Q242 PolarHBondContact O-N 2.67Å; N239-Q242 VanDerWaalsContact O-N 3.13Å; N239-Q242 PolarHBondContact OD1-N 3.33Å; K240-Q242 VanDerWaalsContact C-N 3.29Å; K240-Q242 PolarHBondContact O-N 2.89Å
243T95.7Very high96.5Very high75 Ų7551.3 Ų51.346%0.4629%0.287SS..  trans-93.3131.7179.8-59.90000109.5F238 N239 E241 I245F238-T243 VanDerWaalsContact CA-O 3.29Å; F238-T243 WeakPolarHBondContact CA-O 3.48Å; N239-T243 PolarHBondContact N-O 3.3Å; N239-T243 WeakPolarHBondContact OD1-CA 3.42Å; N239-T243 WeakPolarHBondContact OD1-CB 3.2Å; N239-T243 PolarHBondContact OD1-N 3.4Å; N239-T243 PolarHBondContact OD1-O 2.98Å; E241-T243 PolarHBondContact O-N 3.43Å; E241-T243 PolarHBondContact O-OG1 2.95Å; T243-I245 PolarHBondContact O-N 2.86Å
244K96.7Very high96.6Very high120 Ų12053 Ų5352%0.52230%0.298SS..EExtended strand (participates in β ladder)trans-65.7128.7170.5179.8-179.1170.3177.20109.4C236 F237 F238C236-K244 HydrophobicContact CB-CD 4.21Å; C236-K244 HydrophobicContact CB-CG 4.38Å; C236-K244 VanDerWaalsContact SG-CE 3.51Å; C236-K244 PolarHBondContact SG-NZ 3.11Å; C236-K244 VanDerWaalsContact SG-NZ 3.39Å; F237-K244 CarbonylContact O-C 3.15Å; F237-K244 VanDerWaalsContact O-CA 3.32Å; F237-K244 WeakPolarHBondContact O-CA 3.07Å; F238-K244 HydrophobicContact CD1-CB 4.28Å; F238-K244 HydrophobicContact CE1-CB 3.99Å; F238-K244 HydrophobicContact CZ-CB 4.37Å
245I95.5Very high96.6Very high52 Ų5258.1 Ų58.127%0.26732%0.32SS..EExtended strand (participates in β ladder)trans-126.1153.2-179.752.4166.7000111.2F237 N239 T243F237-I245 HydrophobicContact CD1-CD1 3.61Å; F237-I245 HydrophobicContact CD1-CG1 3.49Å; F237-I245 VanDerWaalsContact CD1-CG1 3.49Å; F237-I245 HydrophobicContact CD2-CD1 4.42Å; F237-I245 HydrophobicContact CD2-CG1 4.38Å; F237-I245 HydrophobicContact CE1-CD1 3.15Å; F237-I245 HydrophobicContact CE1-CG1 3.64Å; F237-I245 HydrophobicContact CE2-CD1 4.04Å; F237-I245 HydrophobicContact CE2-CG1 4.49Å; F237-I245 HydrophobicContact CG-CD1 4.22Å; F237-I245 HydrophobicContact CG-CG1 3.88Å; F237-I245 HydrophobicContact CZ-CD1 3.39Å; F237-I245 HydrophobicContact CZ-CG1 4.14Å; F237-I245 PolarHBondContact O-N 2.91Å; N239-I245 HydrophobicContact CB-CD1 3.98Å; N239-I245 HydrophobicContact CB-CG2 4.44Å; T243-I245 PolarHBondContact O-N 2.86Å
246E96.3Very high96.6Very high158 Ų15858.2 Ų58.274%0.73831%0.314SS*.PPolyproline II helixtrans-72.7129.9179.9-70.9-57.8142.500110.9
247P96.3Very high96.6Very high31 Ų3157.8 Ų57.820%0.20131%0.31CS..PPolyproline II helixtrans-75.1156.8176.913.3-5.7000112.5F177 F237 S251 S252F177-P247 HydrophobicContact CE2-CB 3.73Å; F177-P247 HydrophobicContact CE2-CG 3.95Å; F177-P247 HydrophobicContact CZ-CB 3.75Å; F177-P247 HydrophobicContact CZ-CG 3.75Å; F237-P247 HydrophobicContact CD1-CB 4.4Å; P247-S251 VanDerWaalsContact CB-OG 3.31Å; P247-S251 WeakPolarHBondContact CB-OG 3.49Å; P247-S252 WeakPolarHBondContact CB-OG 3.19Å; P247-S252 WeakPolarHBondContact CG-OG 3.35Å
248S96.5Very high96.6Very high22 Ų2260 Ų6015%0.15432%0.321CS..PPolyproline II helixtrans-59.9149174.873.50000111.6Y143 E250 S251 S252Y143-S248 WeakPolarHBondContact CE2-OG 3.35Å; Y143-S248 WeakPolarHBondContact OH-CB 3.34Å; Y143-S248 PolarHBondContact OH-N 2.89Å; S248-E250 PolarHBondContact O-N 3.13Å; S248-E250 VanDerWaalsContact O-N 3.17Å; S248-S251 PolarHBondContact N-OG 2.98Å; S248-S251 PolarHBondContact O-N 3.2Å; S248-S251 PolarHBondContact O-OG 3.11Å; S248-S251 WeakPolarHBondContact OG-CB 3.43Å; S248-S251 PolarHBondContact OG-N 3.23Å; S248-S251 PolarHBondContact OG-OG 2.77Å; S248-S252 WeakPolarHBondContact O-CB 3.39Å; S248-S252 PolarHBondContact O-N 3.09Å; S248-S252 PolarHBondContact O-OG 3.46Å; S248-S252 VanDerWaalsContact O-OG 3.11Å
249A97.1Very high96.6Very high91 Ų9164.1 Ų64.175%0.75234%0.339SS*.Hα-helixtrans-54.5-38-179.300000112.9S252 S253A249-S252 PolarHBondContact O-N 3.09Å; A249-S253 PolarHBondContact O-N 2.94Å
250E98Very high96.9Very high26 Ų2663.1 Ų63.112%0.12133%0.333CS..Hα-helixtrans-67.8-46.2177.5-173.6163.2165.900111.6R147 M148 L170 M174 S248 S252 S253 L256R147-E250 VanDerWaalsContact CB-OE2 3.26Å; R147-E250 WeakPolarHBondContact CB-OE2 3.25Å; R147-E250 WeakPolarHBondContact CG-OE2 3.46Å; R147-E250 IonicContact CZ-OE2 3.77Å; R147-E250 IonicContact NE-OE2 2.86Å; R147-E250 PolarHBondContact NE-OE2 3.45Å; R147-E250 IonicContact NH2-OE2 3.8Å; M148-E250 WeakPolarHBondContact CB-OE1 3.3Å; M148-E250 PolarHBondContact N-OE1 2.81Å; L170-E250 HydrophobicContact CD2-CG 4.15Å; M174-E250 HydrophobicContact CE-CG 3.69Å; M174-E250 WeakPolarHBondContact CE-O 3.43Å; S248-E250 PolarHBondContact O-N 3.13Å; S248-E250 VanDerWaalsContact O-N 3.17Å; E250-S252 PolarHBondContact O-N 3.48Å; E250-S253 PolarHBondContact O-N 3.41Å; E250-L256 HydrophobicContact CG-CD1 3.72Å
251S96.9Very high97.2Very high0 Ų060.6 Ų60.60%032%0.322CS..Hα-helixtrans-65.4-28.9177.874.40000112.6F177 P247 S248 Q257F177-S251 WeakPolarHBondContact CD2-O 3.44Å; P247-S251 VanDerWaalsContact CB-OG 3.31Å; P247-S251 WeakPolarHBondContact CB-OG 3.49Å; S248-S251 PolarHBondContact N-OG 2.98Å; S248-S251 PolarHBondContact O-N 3.2Å; S248-S251 PolarHBondContact O-OG 3.11Å; S248-S251 WeakPolarHBondContact OG-CB 3.43Å; S248-S251 PolarHBondContact OG-N 3.23Å; S248-S251 PolarHBondContact OG-OG 2.77Å; S251-Q257 PolarHBondContact O-NE2 3.14Å
252S97.2Very high97.5Very high54 Ų5460.7 Ų60.738%0.37832%0.322SS..Hα-helixtrans-81.7-10178.3-61.30000114.4P247 S248 A249 E250 V254 Q257P247-S252 WeakPolarHBondContact CB-OG 3.19Å; P247-S252 WeakPolarHBondContact CG-OG 3.35Å; S248-S252 WeakPolarHBondContact O-CB 3.39Å; S248-S252 PolarHBondContact O-N 3.09Å; S248-S252 PolarHBondContact O-OG 3.46Å; S248-S252 VanDerWaalsContact O-OG 3.11Å; A249-S252 PolarHBondContact O-N 3.09Å; E250-S252 PolarHBondContact O-N 3.48Å; S252-V254 PolarHBondContact O-N 2.96Å; S252-Q257 VanDerWaalsContact C-NE2 3.31Å; S252-Q257 PolarHBondContact O-NE2 3.42Å
253S98.5Very high97.7Very high36 Ų3659.4 Ų59.425%0.25232%0.317SS..  trans-72.5110.6-179.4176.40000111.6A249 E250 E255 L256 Q257A249-S253 PolarHBondContact O-N 2.94Å; E250-S253 PolarHBondContact O-N 3.41Å; S253-E255 VanDerWaalsContact C-N 3.27Å; S253-E255 PolarHBondContact O-N 2.94Å; S253-L256 PolarHBondContact O-N 3.32Å; S253-L256 PolarHBondContact OG-N 3.19Å; S253-Q257 WeakPolarHBondContact O-CG 3.12Å; S253-Q257 PolarHBondContact O-N 2.99Å
254V98.6Very high97.8Very high75 Ų7555.8 Ų55.846%0.45530%0.295SS..Hα-helixtrans-56.6-42.2177.1175.40000111.2S252 L256 Q257 E258S252-V254 PolarHBondContact O-N 2.96Å; V254-L256 PolarHBondContact O-N 3.4Å; V254-Q257 WeakPolarHBondContact O-CB 3.38Å; V254-Q257 PolarHBondContact O-N 3.45Å; V254-E258 HydrophobicContact CG1-CG 4.16Å; V254-E258 VanDerWaalsContact O-CG 3.29Å; V254-E258 WeakPolarHBondContact O-CG 3.42Å; V254-E258 PolarHBondContact O-N 3.22Å
255E98.6Very high97.9Very high154 Ų15450.5 Ų50.572%0.7227%0.273SS*.Hα-helixtrans-57-47.5178.1-175.7-170.7164.200112.1S253 E258 K259S253-E255 VanDerWaalsContact C-N 3.27Å; S253-E255 PolarHBondContact O-N 2.94Å; E255-E258 PolarHBondContact O-N 2.59Å; E255-K259 WeakPolarHBondContact O-CB 3.48Å; E255-K259 PolarHBondContact O-N 3.33Å
256L98.5Very high98Very high29 Ų2953 Ų5315%0.15228%0.284CS..Hα-helixtrans-70.2-37.5-179.4-64.1-176.1000111.9W150 M174 E250 S253 V254 K259 L260W150-L256 HydrophobicContact CH2-CB 4.38Å; W150-L256 WeakPolarHBondContact CH2-O 3.13Å; W150-L256 HydrophobicContact CZ2-CB 3.88Å; W150-L256 HydrophobicContact CZ2-CD1 4.48Å; W150-L256 HydrophobicContact CZ2-CD2 3.72Å; W150-L256 HydrophobicContact CZ2-CG 4.22Å; M174-L256 HydrophobicContact CE-CB 4.02Å; M174-L256 HydrophobicContact CE-CD1 4.38Å; M174-L256 HydrophobicContact SD-CB 4.49Å; E250-L256 HydrophobicContact CG-CD1 3.72Å; S253-L256 PolarHBondContact O-N 3.32Å; S253-L256 PolarHBondContact OG-N 3.19Å; V254-L256 PolarHBondContact O-N 3.4Å; L256-K259 PolarHBondContact O-N 3.12Å; L256-L260 PolarHBondContact O-N 3.07Å
257Q98.7Very high98.1Very high5 Ų547 Ų472%0.02326%0.256CS..Hα-helixtrans-60.9-45.2174.2-69166.918.900111.8M174 A178 S251 S252 S253 V254 L260 W261M174-Q257 HydrophobicContact CB-CB 4.43Å; M174-Q257 HydrophobicContact CB-CG 3.88Å; M174-Q257 HydrophobicContact CG-CG 3.93Å; A178-Q257 HydrophobicContact CB-CB 4.23Å; S251-Q257 PolarHBondContact O-NE2 3.14Å; S252-Q257 VanDerWaalsContact C-NE2 3.31Å; S252-Q257 PolarHBondContact O-NE2 3.42Å; S253-Q257 WeakPolarHBondContact O-CG 3.12Å; S253-Q257 PolarHBondContact O-N 2.99Å; V254-Q257 WeakPolarHBondContact O-CB 3.38Å; V254-Q257 PolarHBondContact O-N 3.45Å; Q257-L260 PolarHBondContact O-N 3.35Å; Q257-W261 WeakPolarHBondContact O-CB 3.49Å; Q257-W261 PolarHBondContact O-N 2.85Å
258E98.7Very high98.2Very high51 Ų5145.5 Ų45.524%0.23825%0.247CC..Hα-helixtrans-67.5-38.4176.8-65.3-51.2140.400111.6R181 R182 V254 E255 L260 W261 Q262R181-E258 IonicContact CZ-OE1 3.85Å; R181-E258 IonicContact NE-OE1 3.37Å; R181-E258 IonicContact NH2-OE1 3.58Å; R181-E258 PolarHBondContact NH2-OE1 3.04Å; R182-E258 IonicContact CZ-OE1 2.61Å; R182-E258 IonicContact CZ-OE2 3.9Å; R182-E258 IonicContact NH1-OE1 3.76Å; R182-E258 PolarHBondContact NH1-OE1 2.84Å; R182-E258 IonicContact NH1-OE2 3.36Å; R182-E258 PolarHBondContact NH1-OE2 3.28Å; R182-E258 IonicContact NH2-OE1 3.17Å; R182-E258 IonicContact NH2-OE2 2.89Å; R182-E258 PolarHBondContact NH2-OE2 3Å; V254-E258 HydrophobicContact CG1-CG 4.16Å; V254-E258 VanDerWaalsContact O-CG 3.29Å; V254-E258 WeakPolarHBondContact O-CG 3.42Å; V254-E258 PolarHBondContact O-N 3.22Å; E255-E258 PolarHBondContact O-N 2.59Å; E258-L260 PolarHBondContact O-N 2.85Å; E258-W261 WeakPolarHBondContact O-CB 3.26Å; E258-W261 PolarHBondContact O-N 3.08Å; E258-Q262 WeakPolarHBondContact O-CG 3.2Å; E258-Q262 PolarHBondContact O-N 2.92Å
259K98.6Very high98.3Very high97 Ų9746.3 Ų46.342%0.42225%0.249SC..Hα-helixtrans-58.6-48.6173.2-174179.4178.7-1770111.7W150 E255 L256 W261 Q262 I263W150-K259 HydrophobicContact CD2-CD 3.91Å; W150-K259 HydrophobicContact CE3-CD 3.56Å; W150-K259 VanDerWaalsContact CE3-CE 3.43Å; W150-K259 HydrophobicContact CE3-CG 3.98Å; W150-K259 HydrophobicContact CH2-CB 4.12Å; W150-K259 HydrophobicContact CH2-CD 4.1Å; W150-K259 HydrophobicContact CH2-CG 4.17Å; W150-K259 HydrophobicContact CZ2-CD 4.44Å; W150-K259 HydrophobicContact CZ3-CB 4.06Å; W150-K259 HydrophobicContact CZ3-CD 3.65Å; W150-K259 HydrophobicContact CZ3-CG 3.63Å; E255-K259 WeakPolarHBondContact O-CB 3.48Å; E255-K259 PolarHBondContact O-N 3.33Å; L256-K259 PolarHBondContact O-N 3.12Å; K259-W261 VanDerWaalsContact C-N 3.34Å; K259-W261 PolarHBondContact O-N 3.37Å; K259-Q262 PolarHBondContact O-N 3.34Å; K259-I263 HydrophobicContact CG-CD1 4.23Å; K259-I263 WeakPolarHBondContact O-CG1 3.4Å; K259-I263 PolarHBondContact O-N 3.46Å; K259-I263 VanDerWaalsContact O-N 3.15Å
260L98.7Very high98.4Very high2 Ų246.7 Ų46.71%0.0124%0.239CC..Hα-helixtrans-64.8-38176.6-178.166.6000111.9F109 W150 A171 M174 L256 Q257 E258 I263 S264F109-L260 HydrophobicContact CE2-CD1 4.43Å; F109-L260 HydrophobicContact CZ-CD1 4.41Å; W150-L260 HydrophobicContact CH2-CB 3.97Å; W150-L260 HydrophobicContact CZ3-CB 4.22Å; A171-L260 HydrophobicContact CB-CD2 3.69Å; M174-L260 HydrophobicContact CB-CD2 3.73Å; M174-L260 HydrophobicContact CG-CD2 4.5Å; M174-L260 HydrophobicContact SD-CB 4.47Å; M174-L260 HydrophobicContact SD-CD2 4.02Å; L256-L260 PolarHBondContact O-N 3.07Å; Q257-L260 PolarHBondContact O-N 3.35Å; E258-L260 PolarHBondContact O-N 2.85Å; L260-I263 PolarHBondContact O-N 2.9Å; L260-S264 WeakPolarHBondContact O-CB 3.35Å; L260-S264 PolarHBondContact O-N 2.86Å; L260-S264 PolarHBondContact O-OG 3.41Å
261W98.7Very high98.4Very high13 Ų1349 Ų495%0.04925%0.248CC..Hα-helixtrans-57.2-52176.5-174.9-78000110.8F117 N121 F175 A178 L179 R182 Q257 E258 K259 I263 S264 V265F117-W261 AromaticContact CE2-CD2 3.7Å; F117-W261 HydrophobicContact CE2-CD2 3.7Å; F117-W261 AromaticContact CE2-CE2 3.99Å; F117-W261 AromaticContact CE2-CE3 3.57Å; F117-W261 HydrophobicContact CE2-CE3 3.57Å; F117-W261 HydrophobicContact CE2-CG 4.29Å; F117-W261 HydrophobicContact CE2-CH2 4.04Å; F117-W261 HydrophobicContact CE2-CZ2 4.16Å; F117-W261 AromaticContact CE2-CZ3 3.75Å; F117-W261 HydrophobicContact CE2-CZ3 3.75Å; F117-W261 AromaticContact CZ-CD2 3.97Å; F117-W261 HydrophobicContact CZ-CD2 3.97Å; F117-W261 AromaticContact CZ-CE2 3.87Å; F117-W261 HydrophobicContact CZ-CE3 4.29Å; F117-W261 HydrophobicContact CZ-CG 4.38Å; F117-W261 HydrophobicContact CZ-CH2 4.39Å; F117-W261 HydrophobicContact CZ-CZ2 4.09Å; F117-W261 HydrophobicContact CZ-CZ3 4.49Å; N121-W261 WeakPolarHBondContact OD1-CH2 3.45Å; N121-W261 WeakPolarHBondContact OD1-CZ2 3.18Å; F175-W261 HydrophobicContact CD2-CZ3 4.02Å; F175-W261 HydrophobicContact CE2-CZ3 4.13Å; A178-W261 HydrophobicContact CB-CE3 3.66Å; A178-W261 HydrophobicContact CB-CZ3 4.23Å; L179-W261 HydrophobicContact CB-CZ3 4.03Å; L179-W261 HydrophobicContact CD1-CH2 3.88Å; L179-W261 HydrophobicContact CD1-CZ3 4.24Å; R182-W261 VanDerWaalsContact NE-CE2 3.31Å; Q257-W261 WeakPolarHBondContact O-CB 3.49Å; Q257-W261 PolarHBondContact O-N 2.85Å; E258-W261 WeakPolarHBondContact O-CB 3.26Å; E258-W261 PolarHBondContact O-N 3.08Å; K259-W261 VanDerWaalsContact C-N 3.34Å; K259-W261 PolarHBondContact O-N 3.37Å; W261-I263 PolarHBondContact O-N 3.4Å; W261-S264 PolarHBondContact O-N 2.83Å; W261-S264 VanDerWaalsContact O-N 3.11Å; W261-V265 WeakPolarHBondContact O-CG2 3.38Å; W261-V265 PolarHBondContact O-N 3.11Å
262Q98.5Very high98.3Very high108 Ų10851.3 Ų51.351%0.50527%0.272SS..Hα-helixtrans-62.1-42.1-179.8-65.2-55.5-3900112.4E258 K259 S264 V265 Q266E258-Q262 WeakPolarHBondContact O-CG 3.2Å; E258-Q262 PolarHBondContact O-N 2.92Å; K259-Q262 PolarHBondContact O-N 3.34Å; Q262-S264 VanDerWaalsContact C-N 3.3Å; Q262-S264 PolarHBondContact O-N 3.18Å; Q262-V265 PolarHBondContact O-N 3.14Å; Q262-Q266 WeakPolarHBondContact O-CB 3.41Å; Q262-Q266 PolarHBondContact O-N 3.34Å
263I98.5Very high98.3Very high48 Ų4848.8 Ų48.825%0.24625%0.254CS..Hα-helixtrans-60.7-42.2174.4-68170000110.7W150 L153 K259 L260 W261 Q266 L267W150-I263 HydrophobicContact CE3-CD1 4.12Å; W150-I263 HydrophobicContact CZ3-CD1 4.04Å; L153-I263 HydrophobicContact CD1-CD1 3.81Å; L153-I263 HydrophobicContact CD1-CG2 3.89Å; K259-I263 HydrophobicContact CG-CD1 4.23Å; K259-I263 WeakPolarHBondContact O-CG1 3.4Å; K259-I263 PolarHBondContact O-N 3.46Å; K259-I263 VanDerWaalsContact O-N 3.15Å; L260-I263 PolarHBondContact O-N 2.9Å; W261-I263 PolarHBondContact O-N 3.4Å; I263-Q266 PolarHBondContact O-N 3.15Å; I263-L267 HydrophobicContact CG2-CD1 3.85Å; I263-L267 HydrophobicContact CG2-CG 4.32Å; I263-L267 WeakPolarHBondContact O-CB 3.2Å; I263-L267 VanDerWaalsContact O-CG 3.29Å; I263-L267 WeakPolarHBondContact O-CG 2.92Å; I263-L267 PolarHBondContact O-N 3.3Å
264S98.7Very high98.2Very high0 Ų054.4 Ų54.40%027%0.274CS..Hα-helixtrans-67.6-41.1-179.9-54.70000111.8H113 L260 W261 Q262 C268H113-S264 PolarHBondContact NE2-OG 3.1Å; L260-S264 WeakPolarHBondContact O-CB 3.35Å; L260-S264 PolarHBondContact O-N 2.86Å; L260-S264 PolarHBondContact O-OG 3.41Å; W261-S264 PolarHBondContact O-N 2.83Å; W261-S264 VanDerWaalsContact O-N 3.11Å; Q262-S264 VanDerWaalsContact C-N 3.3Å; Q262-S264 PolarHBondContact O-N 3.18Å; S264-C268 WeakPolarHBondContact O-CB 3.36Å; S264-C268 PolarHBondContact O-N 2.74Å; S264-C268 PolarHBondContact O-SG 3Å
265V98.7Very high98Very high9 Ų951.7 Ų51.76%0.05526%0.257CS..Hα-helixtrans-59.7-48.5172.3171.60000110.6F117 W261 Q262 C268 N269 L275F117-V265 HydrophobicContact CE1-CG2 4.01Å; F117-V265 HydrophobicContact CZ-CG2 3.72Å; W261-V265 WeakPolarHBondContact O-CG2 3.38Å; W261-V265 PolarHBondContact O-N 3.11Å; Q262-V265 PolarHBondContact O-N 3.14Å; V265-C268 PolarHBondContact O-N 2.83Å; V265-N269 WeakPolarHBondContact CG1-ND2 3.16Å; V265-N269 WeakPolarHBondContact O-CB 3.26Å; V265-N269 PolarHBondContact O-N 3.28Å; V265-N269 PolarHBondContact O-ND2 3.28Å; V265-L275 HydrophobicContact CG1-CB 4.4Å
266Q98.4Very high97.3Very high105 Ų10555.4 Ų55.449%0.49128%0.275SS..Hα-helixtrans-60.9-48.7179.9-174.361.650.900111.7Q262 I263 C268 N269 D270Q262-Q266 WeakPolarHBondContact O-CB 3.41Å; Q262-Q266 PolarHBondContact O-N 3.34Å; I263-Q266 PolarHBondContact O-N 3.15Å; Q266-C268 VanDerWaalsContact C-N 3.32Å; Q266-C268 PolarHBondContact O-N 2.8Å; Q266-N269 PolarHBondContact O-N 3.03Å; Q266-N269 VanDerWaalsContact O-N 3.15Å; Q266-D270 PolarHBondContact NE2-OD1 3.4Å; Q266-D270 WeakPolarHBondContact O-CB 3.03Å; Q266-D270 PolarHBondContact O-N 3.43Å
267L98.4Very high97.2Very high31 Ų3156.7 Ų56.716%0.16228%0.281CS..Hα-helixtrans-59.1-42.6177.8-73.3171.4000111.8F109 L114 M154 I263 D270 K271F109-L267 HydrophobicContact CE1-CD1 3.78Å; F109-L267 HydrophobicContact CZ-CD1 4.33Å; L114-L267 HydrophobicContact CD1-CB 4.01Å; L114-L267 HydrophobicContact CD1-CD1 4.43Å; L114-L267 HydrophobicContact CD2-CB 4Å; M154-L267 HydrophobicContact CE-CD1 3.61Å; M154-L267 HydrophobicContact CE-CD2 4.33Å; I263-L267 HydrophobicContact CG2-CD1 3.85Å; I263-L267 HydrophobicContact CG2-CG 4.32Å; I263-L267 WeakPolarHBondContact O-CB 3.2Å; I263-L267 VanDerWaalsContact O-CG 3.29Å; I263-L267 WeakPolarHBondContact O-CG 2.92Å; I263-L267 PolarHBondContact O-N 3.3Å; L267-D270 PolarHBondContact O-N 3.05Å; L267-K271 WeakPolarHBondContact O-CG 3.48Å; L267-K271 PolarHBondContact O-N 3.41Å
268C98.7Very high97.2Very high0 Ų059.4 Ų59.40%029%0.294CS..Hα-helixtrans-60.5-48.1174.2-73.40000111.8S264 V265 Q266 D270 K271 G272 V273 L275S264-C268 WeakPolarHBondContact O-CB 3.36Å; S264-C268 PolarHBondContact O-N 2.74Å; S264-C268 PolarHBondContact O-SG 3Å; V265-C268 PolarHBondContact O-N 2.83Å; Q266-C268 VanDerWaalsContact C-N 3.32Å; Q266-C268 PolarHBondContact O-N 2.8Å; C268-D270 VanDerWaalsContact C-N 3.31Å; C268-D270 PolarHBondContact O-N 3.27Å; C268-K271 CarbonylContact O-C 3.58Å; C268-K271 PolarHBondContact O-N 3.24Å; C268-K271 VanDerWaalsContact O-N 3.07Å; C268-G272 PolarHBondContact O-N 3.08Å; C268-V273 CarbonylContact C-O 3.58Å; C268-V273 HydrophobicContact CB-CB 4.07Å; C268-V273 HydrophobicContact CB-CG1 4.44Å; C268-V273 WeakPolarHBondContact O-CA 2.85Å; C268-V273 PolarHBondContact O-N 2.88Å; C268-L275 HydrophobicContact CB-CD1 3.6Å; C268-L275 HydrophobicContact CB-CG 4.17Å
269N98.4Very high97.1Very high39 Ų3959.9 Ų59.921%0.20930%0.297CS..Hα-helixtrans-61.8-38.2-179.4-79.1-26000112.4V265 Q266 K271 G272 V273 K274 L275V265-N269 WeakPolarHBondContact CG1-ND2 3.16Å; V265-N269 WeakPolarHBondContact O-CB 3.26Å; V265-N269 PolarHBondContact O-N 3.28Å; V265-N269 PolarHBondContact O-ND2 3.28Å; Q266-N269 PolarHBondContact O-N 3.03Å; Q266-N269 VanDerWaalsContact O-N 3.15Å; N269-K271 VanDerWaalsContact C-N 3.28Å; N269-K271 PolarHBondContact O-N 3.01Å; N269-G272 PolarHBondContact O-N 3.03Å; N269-V273 PolarHBondContact N-O 2.98Å; N269-V273 PolarHBondContact OD1-O 3.31Å; N269-K274 VanDerWaalsContact OD1-CA 3.31Å; N269-K274 WeakPolarHBondContact OD1-CA 2.79Å; N269-L275 PolarHBondContact ND2-O 2.66Å; N269-L275 VanDerWaalsContact ND2-O 3.08Å; N269-L275 PolarHBondContact OD1-N 3.34Å; N269-L275 PolarHBondContact OD1-O 3.23Å
270D97.9Very high97Very high99 Ų9957.7 Ų57.753%0.52929%0.29SS..Hα-helixtrans-65.9-29.1175.4-68.7-17.5000112.5Q266 L267 C268 G272Q266-D270 PolarHBondContact NE2-OD1 3.4Å; Q266-D270 WeakPolarHBondContact O-CB 3.03Å; Q266-D270 PolarHBondContact O-N 3.43Å; L267-D270 PolarHBondContact O-N 3.05Å; C268-D270 VanDerWaalsContact C-N 3.31Å; C268-D270 PolarHBondContact O-N 3.27Å; D270-G272 VanDerWaalsContact C-N 3.35Å
271K97.5Very high96.9Very high74 Ų7461.2 Ų61.232%0.32231%0.308SS..THydrogen-bonded Turntrans-95.315.9175.5-52.6-51.1166.7-179.10113.6M67 D103 I105 L267 C268 N269 V273M67-K271 HydrophobicContact CB-CB 3.71Å; M67-K271 HydrophobicContact CB-CG 4.33Å; M67-K271 HydrophobicContact CG-CB 4.12Å; M67-K271 HydrophobicContact CG-CG 4.25Å; D103-K271 HydrophobicContact CB-CD 4.03Å; D103-K271 HydrophobicContact CB-CG 4.24Å; D103-K271 WeakPolarHBondContact O-CE 3.31Å; D103-K271 PolarHBondContact O-NZ 2.99Å; I105-K271 HydrophobicContact CD1-CG 4.09Å; L267-K271 WeakPolarHBondContact O-CG 3.48Å; L267-K271 PolarHBondContact O-N 3.41Å; C268-K271 CarbonylContact O-C 3.58Å; C268-K271 PolarHBondContact O-N 3.24Å; C268-K271 VanDerWaalsContact O-N 3.07Å; N269-K271 VanDerWaalsContact C-N 3.28Å; N269-K271 PolarHBondContact O-N 3.01Å; K271-V273 VanDerWaalsContact C-N 3.29Å; K271-V273 PolarHBondContact O-N 2.62Å
272G96.2Very high96.8Very high49 Ų4964.4 Ų64.451%0.50533%0.325SS..THydrogen-bonded Turntrans79.36.3175.200000114.9C268 N269 D270 K274C268-G272 PolarHBondContact O-N 3.08Å; N269-G272 PolarHBondContact O-N 3.03Å; D270-G272 VanDerWaalsContact C-N 3.35Å; G272-K274 PolarHBondContact O-N 2.9Å
273V97.6Very high96.6Very high0 Ų061.3 Ų61.30%031%0.312CS..  trans-9197.1173.4-174.70000108.8M67 P71 A118 L122 C268 N269 K271 L275M67-V273 HydrophobicContact CB-CG2 4.28Å; M67-V273 HydrophobicContact CE-CG2 4.08Å; M67-V273 WeakPolarHBondContact O-CG2 3.39Å; P71-V273 HydrophobicContact CG-CB 4.36Å; P71-V273 HydrophobicContact CG-CG1 4.16Å; P71-V273 HydrophobicContact CG-CG2 3.84Å; A118-V273 HydrophobicContact CB-CG1 4.04Å; L122-V273 HydrophobicContact CD1-CG1 4.02Å; C268-V273 CarbonylContact C-O 3.58Å; C268-V273 HydrophobicContact CB-CB 4.07Å; C268-V273 HydrophobicContact CB-CG1 4.44Å; C268-V273 WeakPolarHBondContact O-CA 2.85Å; C268-V273 PolarHBondContact O-N 2.88Å; N269-V273 PolarHBondContact N-O 2.98Å; N269-V273 PolarHBondContact OD1-O 3.31Å; K271-V273 VanDerWaalsContact C-N 3.29Å; K271-V273 PolarHBondContact O-N 2.62Å; V273-L275 HydrophobicContact CG1-CD2 4.42Å; V273-L275 HydrophobicContact CG1-CG 4.32Å; V273-L275 PolarHBondContact O-N 2.79Å
274K94.7Very high96.5Very high154 Ų15462.3 Ų62.367%0.6732%0.317SS*.  trans-72.6111.7-174.6-60.9-56.2-178.4-169.60111.6N269 G272N269-K274 VanDerWaalsContact OD1-CA 3.31Å; N269-K274 WeakPolarHBondContact OD1-CA 2.79Å; G272-K274 PolarHBondContact O-N 2.9Å
275L96Very high96.3Very high19 Ų1967.5 Ų67.510%0.09934%0.343CS..  trans-125.4146174.8-57.7178.4000109.3F117 A118 N121 L122 V265 C268 N269 V273F117-L275 HydrophobicContact CD1-CD1 3.96Å; F117-L275 HydrophobicContact CE1-CD1 3.58Å; A118-L275 HydrophobicContact CB-CD1 4.46Å; N121-L275 HydrophobicContact CB-CD1 4.35Å; N121-L275 HydrophobicContact CB-CD2 3.82Å; L122-L275 HydrophobicContact CD2-CD2 3.83Å; L122-L275 HydrophobicContact CG-CD2 4.01Å; V265-L275 HydrophobicContact CG1-CB 4.4Å; C268-L275 HydrophobicContact CB-CD1 3.6Å; C268-L275 HydrophobicContact CB-CG 4.17Å; N269-L275 PolarHBondContact ND2-O 2.66Å; N269-L275 VanDerWaalsContact ND2-O 3.08Å; N269-L275 PolarHBondContact OD1-N 3.34Å; N269-L275 PolarHBondContact OD1-O 3.23Å; V273-L275 HydrophobicContact CG1-CD2 4.42Å; V273-L275 HydrophobicContact CG1-CG 4.32Å; V273-L275 PolarHBondContact O-N 2.79Å
276E83.2Confident96.1Very high231 Ų23172.8 Ų72.8100%1.07937%0.37SS*.  trans-870174.1-64.3-178.5173.700112.2

Retrieved 276 of 276 residues in 87.7 ms (Link to these results)

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