A0A077Z486_TRITR Loading...

Methyltransf 31 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z486, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 160 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
1M41.5Very low51Low174 Ų17481.6 Ų81.686%0.85741%0.405SS*.  01350-68.7-172.5-17300107Q5M1-Q5 HydrophobicContact CB-CB 4.3Å
2S51.2Low52.7Low37 Ų3780.6 Ų80.626%0.25940%0.402SS..  trans-73.1152.3178.1750000110.5L4 Q5 M6 K32S2-L4 PolarHBondContact O-N 3.26Å; S2-L4 VanDerWaalsContact O-N 3.08Å; S2-Q5 VanDerWaalsContact O-CA 3.27Å; S2-Q5 WeakPolarHBondContact O-CA 3.11Å; S2-Q5 WeakPolarHBondContact O-CB 3.47Å; S2-Q5 PolarHBondContact O-N 3.45Å; S2-M6 PolarHBondContact O-N 2.85Å; S2-K32 PolarHBondContact OG-NZ 2.79Å
3D55.1Low54.7Low33 Ų3374.9 Ų74.918%0.17637%0.373CS..Hα-helixtrans-59.6-28.9-172.4-48.5-33.4000113.9Q5 M6 L7 F155 Y157D3-Q5 VanDerWaalsContact C-N 3.28Å; D3-Q5 PolarHBondContact O-N 2.97Å; D3-M6 WeakPolarHBondContact O-CA 3.33Å; D3-M6 WeakPolarHBondContact O-CB 3.42Å; D3-M6 PolarHBondContact O-N 3.26Å; D3-L7 PolarHBondContact O-N 3.05Å; D3-F155 HydrophobicContact CB-CD1 4.12Å; D3-F155 HydrophobicContact CB-CD2 3.95Å; D3-F155 HydrophobicContact CB-CE1 3.83Å; D3-F155 HydrophobicContact CB-CE2 3.63Å; D3-F155 HydrophobicContact CB-CG 4.18Å; D3-F155 HydrophobicContact CB-CZ 3.57Å; D3-F155 WeakPolarHBondContact OD1-CE1 2.9Å; D3-F155 WeakPolarHBondContact OD1-CZ 3.16Å; D3-F155 WeakPolarHBondContact OD2-CD1 3.38Å; D3-F155 WeakPolarHBondContact OD2-CE1 3.44Å; D3-F155 WeakPolarHBondContact OD2-CG 3.33Å; D3-Y157 WeakPolarHBondContact OD2-CE2 3.48Å; D3-Y157 VanDerWaalsContact OD2-CZ 3.22Å; D3-Y157 PolarHBondContact OD2-OH 3.27Å
4L57.1Low57Low12 Ų1273.6 Ų73.66%0.06337%0.373CS..Hα-helixtrans-65.2-30.1170.3-82.3135000113.4S2 M6 L7 S8 L29 K32 M33S2-L4 PolarHBondContact O-N 3.26Å; S2-L4 VanDerWaalsContact O-N 3.08Å; L4-M6 VanDerWaalsContact C-N 3.31Å; L4-L7 HydrophobicContact CD2-CD1 4.24Å; L4-S8 PolarHBondContact O-N 3.4Å; L4-L29 HydrophobicContact CD1-CD1 3.56Å; L4-L29 HydrophobicContact CD2-CD1 4.3Å; L4-L29 HydrophobicContact CG-CD1 4.39Å; L4-K32 HydrophobicContact CD1-CB 4.33Å; L4-K32 HydrophobicContact CD1-CD 3.46Å; L4-K32 VanDerWaalsContact CD1-CD 3.46Å; L4-K32 VanDerWaalsContact CD1-CE 3.46Å; L4-K32 HydrophobicContact CD1-CG 3.8Å; L4-K32 HydrophobicContact CD2-CG 4.46Å; L4-K32 HydrophobicContact CG-CD 4.48Å; L4-K32 HydrophobicContact CG-CG 4.48Å; L4-M33 HydrophobicContact CD2-CB 4.43Å; L4-M33 HydrophobicContact CD2-CG 3.27Å; L4-M33 HydrophobicContact CD2-SD 4.25Å
5Q51Low59.2Low88 Ų8873.6 Ų73.641%0.41137%0.367SS..Hα-helixtrans-69.6-30.9166.8-65.5176.8-49.300110.8M1 S2 D3 S8 H9M1-Q5 HydrophobicContact CB-CB 4.3Å; S2-Q5 VanDerWaalsContact O-CA 3.27Å; S2-Q5 WeakPolarHBondContact O-CA 3.11Å; S2-Q5 WeakPolarHBondContact O-CB 3.47Å; S2-Q5 PolarHBondContact O-N 3.45Å; D3-Q5 VanDerWaalsContact C-N 3.28Å; D3-Q5 PolarHBondContact O-N 2.97Å; Q5-S8 VanDerWaalsContact C-OG 3.3Å; Q5-S8 VanDerWaalsContact CA-OG 3.23Å; Q5-S8 WeakPolarHBondContact CA-OG 3.42Å; Q5-S8 CarbonylContact O-C 3.53Å; Q5-S8 VanDerWaalsContact O-CA 3.3Å; Q5-S8 WeakPolarHBondContact O-CA 3.18Å; Q5-S8 VanDerWaalsContact O-CB 3.24Å; Q5-S8 WeakPolarHBondContact O-CB 3.38Å; Q5-S8 PolarHBondContact O-N 2.94Å; Q5-S8 PolarHBondContact O-OG 2.97Å; Q5-H9 VanDerWaalsContact O-CB 3.29Å; Q5-H9 WeakPolarHBondContact O-CB 3.44Å; Q5-H9 PolarHBondContact O-N 3.02Å
6M47.8Very low61.3Low64 Ų6473.4 Ų73.432%0.31538%0.375SS..Hα-helixtrans-65.3-42.2174.1-158.5-179.175.600111.4S2 D3 L4 S8 H9 F153 F155S2-M6 PolarHBondContact O-N 2.85Å; D3-M6 WeakPolarHBondContact O-CA 3.33Å; D3-M6 WeakPolarHBondContact O-CB 3.42Å; D3-M6 PolarHBondContact O-N 3.26Å; L4-M6 VanDerWaalsContact C-N 3.31Å; M6-S8 PolarHBondContact O-N 2.9Å; M6-S8 VanDerWaalsContact O-N 3.08Å; M6-H9 PolarHBondContact O-N 3.05Å; M6-F153 HydrophobicContact CE-CD1 4.27Å; M6-F153 HydrophobicContact CE-CD2 3.93Å; M6-F153 HydrophobicContact CE-CE1 4.43Å; M6-F153 HydrophobicContact CE-CE2 4.06Å; M6-F153 HydrophobicContact CE-CG 4.02Å; M6-F153 HydrophobicContact CE-CZ 4.34Å; M6-F155 HydrophobicContact CE-CE2 4.02Å; M6-F155 HydrophobicContact CE-CZ 3.65Å; M6-F155 HydrophobicContact SD-CZ 4.33Å
7L52.4Low63Low16 Ų1669.5 Ų69.58%0.08436%0.356CS..Hα-helixtrans-59-20.6168.5-55.6176.7000112.6D3 L4 I13 M33 L129D3-L7 PolarHBondContact O-N 3.05Å; L4-L7 HydrophobicContact CD2-CD1 4.24Å; L7-I13 HydrophobicContact CB-CD1 4.26Å; L7-I13 HydrophobicContact CD2-CD1 3.4Å; L7-I13 HydrophobicContact CG-CD1 4.31Å; L7-M33 HydrophobicContact CD1-CE 4.26Å; L7-L129 HydrophobicContact CD1-CD2 3.92Å; L7-L129 HydrophobicContact CD2-CD2 4.35Å
8S49.9Very low64.7Low36 Ų3668.2 Ų68.225%0.25235%0.348SS..Hα-helixtrans-93.1-32.8-177.588.80000114.6L4 Q5 M6 R15L4-S8 PolarHBondContact O-N 3.4Å; Q5-S8 VanDerWaalsContact C-OG 3.3Å; Q5-S8 VanDerWaalsContact CA-OG 3.23Å; Q5-S8 WeakPolarHBondContact CA-OG 3.42Å; Q5-S8 CarbonylContact O-C 3.53Å; Q5-S8 VanDerWaalsContact O-CA 3.3Å; Q5-S8 WeakPolarHBondContact O-CA 3.18Å; Q5-S8 VanDerWaalsContact O-CB 3.24Å; Q5-S8 WeakPolarHBondContact O-CB 3.38Å; Q5-S8 PolarHBondContact O-N 2.94Å; Q5-S8 PolarHBondContact O-OG 2.97Å; M6-S8 PolarHBondContact O-N 2.9Å; M6-S8 VanDerWaalsContact O-N 3.08Å; S8-R15 PolarHBondContact O-NH2 2.96Å
9H47.9Very low66.3Low133 Ų13364.6 Ų64.662%0.61633%0.329SS*.Hα-helixtrans-91.3-30.3-163.6-146.5-68.1000112.1Q5 M6Q5-H9 VanDerWaalsContact O-CB 3.29Å; Q5-H9 WeakPolarHBondContact O-CB 3.44Å; Q5-H9 PolarHBondContact O-N 3.02Å; M6-H9 PolarHBondContact O-N 3.05Å
10E51Low67.8Low111 Ų11161.4 Ų61.452%0.51931%0.313SS..SBendtrans-97.1117.4163-57.7-172.7163.400105.8L12E10-L12 HydrophobicContact CB-CD1 3.59Å; E10-L12 HydrophobicContact CG-CD1 4.49Å; E10-L12 PolarHBondContact O-N 2.8Å; E10-L12 WeakPolarHBondContact OE2-CD1 3.42Å
11Q56.4Low69.2Low194 Ų19458.6 Ų58.691%0.90730%0.299SS*.THydrogen-bonded Turntrans-62.524.3176.5-65.8173.1-39.900113.4I13Q11-I13 PolarHBondContact O-N 3.21Å
12L71Confident71.8Confident69 Ų6950.5 Ų50.536%0.36126%0.259SS..THydrogen-bonded Turntrans-58.9-28.5176.8-103.691.8000112.6E10 L152E10-L12 HydrophobicContact CB-CD1 3.59Å; E10-L12 HydrophobicContact CG-CD1 4.49Å; E10-L12 PolarHBondContact O-N 2.8Å; E10-L12 WeakPolarHBondContact OE2-CD1 3.42Å; L12-L152 HydrophobicContact CD2-CD2 4.09Å
13I79.3Confident73.9Confident7 Ų749.9 Ų49.94%0.03626%0.258CS..SBendtrans-118.5110.7-173.2-52.6-172.4000110.3L7 Q11 R15 F38 I87 F127L7-I13 HydrophobicContact CB-CD1 4.26Å; L7-I13 HydrophobicContact CD2-CD1 3.4Å; L7-I13 HydrophobicContact CG-CD1 4.31Å; Q11-I13 PolarHBondContact O-N 3.21Å; I13-R15 PolarHBondContact O-N 3.46Å; I13-F38 HydrophobicContact CG2-CE1 3.76Å; I13-F38 HydrophobicContact CG2-CZ 3.99Å; I13-I87 HydrophobicContact CD1-CD1 4.32Å; I13-I87 HydrophobicContact CG2-CD1 3.39Å; I13-I87 HydrophobicContact CG2-CG1 4.38Å; I13-F127 HydrophobicContact CD1-CD1 4.39Å; I13-F127 HydrophobicContact CD1-CD2 3.88Å; I13-F127 HydrophobicContact CD1-CE1 4.29Å; I13-F127 HydrophobicContact CD1-CE2 3.74Å; I13-F127 HydrophobicContact CD1-CG 4.19Å; I13-F127 HydrophobicContact CD1-CZ 3.97Å; I13-F127 HydrophobicContact CG1-CD2 4.22Å; I13-F127 HydrophobicContact CG1-CE2 3.62Å; I13-F127 HydrophobicContact CG1-CZ 3.85Å
14P86.9Confident75.8Confident57 Ų5748.7 Ų48.737%0.3725%0.252SS..  trans-55.8136.9172.2-2534.4000111.7S16 S17P14-S16 PolarHBondContact O-N 3.19Å; P14-S17 WeakPolarHBondContact O-CB 3.35Å; P14-S17 PolarHBondContact O-N 3.47Å; P14-S17 PolarHBondContact O-OG 2.97Å
15R90Very high77.6Confident73 Ų7349.2 Ų49.228%0.27526%0.261SS..THydrogen-bonded Turntrans-70.5-12.9177.1-55.4-48.2179.9135.220.4114S8 I13 S17 C36 N37 F38 T39S8-R15 PolarHBondContact O-NH2 2.96Å; I13-R15 PolarHBondContact O-N 3.46Å; R15-S17 VanDerWaalsContact C-N 3.33Å; R15-C36 PolarHBondContact NH1-O 3.21Å; R15-N37 WeakPolarHBondContact CB-O 3.48Å; R15-F38 WeakPolarHBondContact O-CA 3.46Å; R15-T39 PolarHBondContact O-N 2.85Å; R15-T39 PolarHBondContact O-OG1 3.06Å; R15-T39 VanDerWaalsContact O-OG1 3.05Å
16S91.8Very high79.8Confident71 Ų7148.4 Ų48.450%0.49726%0.259SS..THydrogen-bonded Turntrans-85.9-0.2170.254.80000113.4P14 H40P14-S16 PolarHBondContact O-N 3.19Å; S16-H40 PolarHBondContact O-ND1 2.92Å
17S90.7Very high82.1Confident7 Ų745.3 Ų45.35%0.04924%0.244CC..  trans-56.8140.4173.8-72.40000111.4P14 R15 V19 D86P14-S17 WeakPolarHBondContact O-CB 3.35Å; P14-S17 PolarHBondContact O-N 3.47Å; P14-S17 PolarHBondContact O-OG 2.97Å; R15-S17 VanDerWaalsContact C-N 3.33Å; S17-V19 PolarHBondContact O-N 3.39Å; S17-D86 WeakPolarHBondContact CA-OD2 3.29Å
18Q94.2Very high84.1Confident45 Ų4547.3 Ų47.321%0.2126%0.259CS..EExtended strand (participates in β ladder)trans-77.7116.1175.3-60.9-67.3-54.700109.5H40 K84 F85 D86 I87 R119Q18-H40 VanDerWaalsContact NE2-CB 3.34Å; Q18-H40 PolarHBondContact NE2-CD2 3.01Å; Q18-H40 PolarHBondContact NE2-ND1 2.68Å; Q18-K84 WeakPolarHBondContact CB-O 3.32Å; Q18-K84 WeakPolarHBondContact CG-O 3.47Å; Q18-F85 HydrophobicContact CB-CD1 4.1Å; Q18-D86 PolarHBondContact N-OD2 3.45Å; Q18-D86 PolarHBondContact O-N 2.91Å; Q18-I87 PolarHBondContact O-N 3.4Å; Q18-R119 VanDerWaalsContact CG-CZ 3.4Å
19V94.7Very high86.2Confident0 Ų047.4 Ų47.40%026%0.257CS..EExtended strand (participates in β ladder)trans-112137.7-176.8-171.70000110.2S17 L30 M33 F38 H40 L41 T42 I87 L89S17-V19 PolarHBondContact O-N 3.39Å; V19-L30 HydrophobicContact CG1-CD2 4.27Å; V19-M33 HydrophobicContact CG1-CE 4.08Å; V19-M33 HydrophobicContact CG1-SD 3.78Å; V19-M33 HydrophobicContact CG2-CE 4.02Å; V19-F38 HydrophobicContact CG2-CD1 4.01Å; V19-F38 HydrophobicContact CG2-CE1 4.49Å; V19-H40 PolarHBondContact N-O 3.08Å; V19-L41 HydrophobicContact CB-CD2 3.75Å; V19-L41 HydrophobicContact CG1-CD2 4.2Å; V19-L41 HydrophobicContact CG2-CD2 3.9Å; V19-T42 PolarHBondContact O-N 3.02Å; V19-I87 WeakPolarHBondContact CA-O 3.49Å; V19-I87 HydrophobicContact CB-CB 4.45Å; V19-I87 HydrophobicContact CG1-CB 4.2Å; V19-I87 HydrophobicContact CG1-CG2 4.28Å; V19-I87 HydrophobicContact CG2-CB 4.16Å; V19-I87 HydrophobicContact CG2-CD1 3.94Å; V19-I87 HydrophobicContact CG2-CG1 4.4Å; V19-L89 HydrophobicContact CG1-CD1 3.74Å; V19-L89 HydrophobicContact CG1-CD2 4.49Å; V19-L89 HydrophobicContact CG1-CG 3.99Å
20V96.4Very high88.5Confident0 Ų041 Ų410%023%0.227CC..EExtended strand (participates in β ladder)trans-128.1137.1169.564.20000111.6T42 L44 F85 I87 V88 L89 L117V20-T42 CarbonylContact C-O 3.48Å; V20-T42 VanDerWaalsContact CA-O 3.26Å; V20-T42 WeakPolarHBondContact CA-O 3.34Å; V20-T42 HydrophobicContact CG2-CG2 4.34Å; V20-L44 HydrophobicContact CG2-CD1 3.51Å; V20-L44 HydrophobicContact CG2-CG 3.6Å; V20-F85 HydrophobicContact CB-CB 4.5Å; V20-F85 HydrophobicContact CB-CD1 3.59Å; V20-F85 HydrophobicContact CB-CD2 3.97Å; V20-F85 HydrophobicContact CB-CE1 3.67Å; V20-F85 HydrophobicContact CB-CE2 4.02Å; V20-F85 HydrophobicContact CB-CG 3.74Å; V20-F85 HydrophobicContact CB-CZ 3.87Å; V20-F85 HydrophobicContact CG1-CB 3.86Å; V20-F85 HydrophobicContact CG1-CD1 3.89Å; V20-F85 HydrophobicContact CG1-CD2 3.63Å; V20-F85 HydrophobicContact CG1-CE1 4.35Å; V20-F85 HydrophobicContact CG1-CE2 4.1Å; V20-F85 HydrophobicContact CG1-CG 3.49Å; V20-F85 VanDerWaalsContact CG1-CG 3.49Å; V20-F85 HydrophobicContact CG1-CZ 4.43Å; V20-F85 HydrophobicContact CG2-CE1 4.27Å; V20-F85 HydrophobicContact CG2-CE2 4.21Å; V20-F85 HydrophobicContact CG2-CZ 4.04Å; V20-I87 PolarHBondContact N-O 2.83Å; V20-V88 HydrophobicContact CG1-CB 4.18Å; V20-V88 HydrophobicContact CG1-CG1 4.18Å; V20-V88 HydrophobicContact CG1-CG2 3.73Å; V20-V88 CarbonylContact O-C 3.53Å; V20-V88 WeakPolarHBondContact O-CA 3.23Å; V20-L89 PolarHBondContact O-N 2.99Å; V20-L117 HydrophobicContact CG1-CD1 4.19Å
21D96.2Very high90.6Very high4 Ų436.3 Ų36.32%0.02121%0.206CC..EExtended strand (participates in β ladder)trans-111.3117.5172.9-170.77.9000110C24 L30 T42 L44 L89D21-C24 HydrophobicContact CB-CB 3.94Å; D21-L30 HydrophobicContact CB-CD1 3.75Å; D21-L30 HydrophobicContact CB-CD2 3.76Å; D21-L30 HydrophobicContact CB-CG 3.63Å; D21-T42 PolarHBondContact N-O 3.33Å; D21-L44 PolarHBondContact O-N 2.82Å; D21-L89 HydrophobicContact CB-CB 4.23Å; D21-L89 HydrophobicContact CB-CD1 4.21Å
22I95.8Very high92.4Very high4 Ų430.9 Ų30.92%0.02118%0.179CC..EExtended strand (participates in β ladder)trans-89.1119.1-175.5-53.8171.9000109.5I74 V88 L89 T93 V114 L117I22-I74 HydrophobicContact CD1-CD1 4.15Å; I22-I74 HydrophobicContact CD1-CG1 4.19Å; I22-I74 HydrophobicContact CG2-CB 3.71Å; I22-I74 HydrophobicContact CG2-CD1 4.17Å; I22-I74 HydrophobicContact CG2-CG1 3.82Å; I22-I74 HydrophobicContact CG2-CG2 4.06Å; I22-V88 HydrophobicContact CD1-CG1 3.43Å; I22-V88 VanDerWaalsContact CD1-CG1 3.43Å; I22-V88 HydrophobicContact CG1-CG1 3.99Å; I22-L89 PolarHBondContact N-O 3.26Å; I22-T93 HydrophobicContact CG2-CG2 3.89Å; I22-T93 PolarHBondContact O-OG1 2.73Å; I22-V114 HydrophobicContact CD1-CG2 3.69Å; I22-L117 HydrophobicContact CD1-CD1 3.72Å; I22-L117 HydrophobicContact CG1-CD1 4.2Å
23G95.7Very high93.5Very high23 Ų2327.6 Ų27.624%0.23716%0.162CC..THydrogen-bonded Turntrans64.555.2-170.800000110.4G25 L44 T93G23-G25 PolarHBondContact O-N 2.7Å; G23-G25 VanDerWaalsContact O-N 3.08Å; G23-L44 CarbonylContact C-O 3.57Å; G23-L44 WeakPolarHBondContact CA-O 3.29Å; G23-L44 PolarHBondContact N-O 2.59Å; G23-T93 VanDerWaalsContact CA-OG1 3.31Å; G23-T93 WeakPolarHBondContact CA-OG1 3.45Å
24C96.1Very high94.3Very high8 Ų828.4 Ų28.45%0.05417%0.168CC..  trans-64.2-16.5-171.366.60000113.5D21 N26 A27 L30 L44D21-C24 HydrophobicContact CB-CB 3.94Å; C24-N26 PolarHBondContact O-N 2.79Å; C24-A27 WeakPolarHBondContact O-CA 3.36Å; C24-A27 PolarHBondContact O-N 3.49Å; C24-L30 HydrophobicContact CB-CD1 4.3Å; C24-L44 PolarHBondContact N-O 2.77Å
25G95.3Very high94.6Very high24 Ų2431.5 Ų31.525%0.24718%0.176CC..THydrogen-bonded Turntrans57.5-111.8178.600000111.3G23 A27 D45 S50 A54G23-G25 PolarHBondContact O-N 2.7Å; G23-G25 VanDerWaalsContact O-N 3.08Å; G25-A27 VanDerWaalsContact C-N 3.33Å; G25-D45 WeakPolarHBondContact CA-OD2 3.23Å; G25-D45 PolarHBondContact N-OD2 3.17Å; G25-S50 VanDerWaalsContact O-O 3.1Å; G25-A54 WeakPolarHBondContact O-CB 3.44Å
26N95.6Very high94.6Very high70 Ų7029.3 Ų29.337%0.37417%0.171SC..THydrogen-bonded Turntrans-88.66.4177.769.66.6000114.6C24 S28 L53 I57C24-N26 PolarHBondContact O-N 2.79Å; N26-S28 PolarHBondContact O-N 2.91Å; N26-S28 WeakPolarHBondContact OD1-CB 3.45Å; N26-S28 PolarHBondContact OD1-N 2.88Å; N26-S28 PolarHBondContact OD1-OG 2.67Å; N26-L53 HydrophobicContact CB-CD2 4.27Å; N26-I57 HydrophobicContact CB-CD1 3.82Å
27A96.5Very high94.7Very high0 Ų031.6 Ų31.60%018%0.178CC..  trans60.721.8-178.200000116C24 G25 L29 L30 I31 A54 F67C24-A27 WeakPolarHBondContact O-CA 3.36Å; C24-A27 PolarHBondContact O-N 3.49Å; G25-A27 VanDerWaalsContact C-N 3.33Å; A27-L29 VanDerWaalsContact C-N 3.25Å; A27-L29 PolarHBondContact O-N 3.22Å; A27-L30 HydrophobicContact CB-CB 4.4Å; A27-L30 HydrophobicContact CB-CD1 4.49Å; A27-L30 PolarHBondContact O-N 3.26Å; A27-I31 HydrophobicContact CB-CD1 4.41Å; A27-I31 WeakPolarHBondContact O-CB 3.37Å; A27-I31 WeakPolarHBondContact O-CD1 3.39Å; A27-I31 VanDerWaalsContact O-CG1 3.27Å; A27-I31 WeakPolarHBondContact O-CG1 3.32Å; A27-I31 PolarHBondContact O-N 3.12Å; A27-A54 HydrophobicContact CB-CB 3.74Å; A27-F67 HydrophobicContact CB-CE1 3.52Å; A27-F67 HydrophobicContact CB-CZ 3.57Å
28S95.2Very high94.9Very high57 Ų5731.5 Ų31.540%0.39918%0.177SC..Hα-helixtrans-54.3-38.2-179.652.70000113.9N26 K32N26-S28 PolarHBondContact O-N 2.91Å; N26-S28 WeakPolarHBondContact OD1-CB 3.45Å; N26-S28 PolarHBondContact OD1-N 2.88Å; N26-S28 PolarHBondContact OD1-OG 2.67Å; S28-K32 PolarHBondContact O-N 3.21Å; S28-K32 VanDerWaalsContact O-N 3.12Å
29L93Very high94.9Very high38 Ų3833.5 Ų33.520%0.19919%0.192CC..Hα-helixtrans-70-46.5178.4-176.157.6000111.7L4 A27 I31 K32 M33 L89L4-L29 HydrophobicContact CD1-CD1 3.56Å; L4-L29 HydrophobicContact CD2-CD1 4.3Å; L4-L29 HydrophobicContact CG-CD1 4.39Å; A27-L29 VanDerWaalsContact C-N 3.25Å; A27-L29 PolarHBondContact O-N 3.22Å; L29-I31 PolarHBondContact O-N 2.96Å; L29-K32 WeakPolarHBondContact O-CB 3.48Å; L29-K32 PolarHBondContact O-N 3.17Å; L29-M33 PolarHBondContact O-N 2.99Å; L29-L89 HydrophobicContact CD2-CB 3.75Å; L29-L89 HydrophobicContact CD2-CD1 3.57Å; L29-L89 HydrophobicContact CD2-CD2 4.47Å; L29-L89 HydrophobicContact CD2-CG 4.13Å; L29-L89 HydrophobicContact CG-CD1 3.77Å
30L96Very high95Very high0 Ų037.3 Ų37.30%021%0.21CC..Hα-helixtrans-62.6-40.8175.7-67.6175.8000112.3V19 D21 C24 A27 K32 M33 S34 L41 G43 I65 F67 L89V19-L30 HydrophobicContact CG1-CD2 4.27Å; D21-L30 HydrophobicContact CB-CD1 3.75Å; D21-L30 HydrophobicContact CB-CD2 3.76Å; D21-L30 HydrophobicContact CB-CG 3.63Å; C24-L30 HydrophobicContact CB-CD1 4.3Å; A27-L30 HydrophobicContact CB-CB 4.4Å; A27-L30 HydrophobicContact CB-CD1 4.49Å; A27-L30 PolarHBondContact O-N 3.26Å; L30-K32 VanDerWaalsContact C-N 3.28Å; L30-K32 PolarHBondContact O-N 2.87Å; L30-M33 CarbonylContact O-C 3.5Å; L30-M33 PolarHBondContact O-N 2.91Å; L30-M33 VanDerWaalsContact O-N 3.11Å; L30-S34 PolarHBondContact O-N 3.22Å; L30-L41 HydrophobicContact CD2-CB 4.24Å; L30-L41 HydrophobicContact CD2-CD2 4.14Å; L30-L41 WeakPolarHBondContact O-CD1 3.24Å; L30-G43 VanDerWaalsContact CD1-CA 3.46Å; L30-I65 HydrophobicContact CB-CD1 3.78Å; L30-I65 HydrophobicContact CB-CG1 4.46Å; L30-I65 HydrophobicContact CB-CG2 4.34Å; L30-I65 HydrophobicContact CD1-CG2 3.74Å; L30-F67 HydrophobicContact CD1-CE1 4.39Å; L30-L89 HydrophobicContact CD2-CD1 4.16Å
31I96.9Very high95Very high12 Ų1237.6 Ų37.66%0.06221%0.211CC..Hα-helixtrans-59-43.1174.3-70.7160.8000110.2A27 L29 M33 S34 K35 I57 E61 I65A27-I31 HydrophobicContact CB-CD1 4.41Å; A27-I31 WeakPolarHBondContact O-CB 3.37Å; A27-I31 WeakPolarHBondContact O-CD1 3.39Å; A27-I31 VanDerWaalsContact O-CG1 3.27Å; A27-I31 WeakPolarHBondContact O-CG1 3.32Å; A27-I31 PolarHBondContact O-N 3.12Å; L29-I31 PolarHBondContact O-N 2.96Å; I31-M33 VanDerWaalsContact C-N 3.34Å; I31-M33 PolarHBondContact O-N 3.5Å; I31-S34 WeakPolarHBondContact O-CB 3.43Å; I31-S34 PolarHBondContact O-N 3.45Å; I31-K35 HydrophobicContact CG2-CD 4.37Å; I31-K35 WeakPolarHBondContact O-CG 3.39Å; I31-K35 PolarHBondContact O-N 3.37Å; I31-I57 HydrophobicContact CD1-CB 4.19Å; I31-I57 HydrophobicContact CD1-CG2 3.41Å; I31-I57 VanDerWaalsContact CD1-CG2 3.41Å; I31-E61 HydrophobicContact CG2-CB 4.2Å; I31-E61 HydrophobicContact CG2-CG 4.13Å; I31-I65 HydrophobicContact CG1-CD1 3.89Å
32K93.5Very high95.1Very high79 Ų7937.9 Ų37.934%0.34321%0.213SC..Hα-helixtrans-64.9-37.6176.1-172.4164.9168-168.10111.9S2 L4 S28 L29 L30 K35 C36S2-K32 PolarHBondContact OG-NZ 2.79Å; L4-K32 HydrophobicContact CD1-CB 4.33Å; L4-K32 HydrophobicContact CD1-CD 3.46Å; L4-K32 VanDerWaalsContact CD1-CD 3.46Å; L4-K32 VanDerWaalsContact CD1-CE 3.46Å; L4-K32 HydrophobicContact CD1-CG 3.8Å; L4-K32 HydrophobicContact CD2-CG 4.46Å; L4-K32 HydrophobicContact CG-CD 4.48Å; L4-K32 HydrophobicContact CG-CG 4.48Å; S28-K32 PolarHBondContact O-N 3.21Å; S28-K32 VanDerWaalsContact O-N 3.12Å; L29-K32 WeakPolarHBondContact O-CB 3.48Å; L29-K32 PolarHBondContact O-N 3.17Å; L30-K32 VanDerWaalsContact C-N 3.28Å; L30-K32 PolarHBondContact O-N 2.87Å; K32-K35 PolarHBondContact O-N 3.38Å; K32-C36 PolarHBondContact O-N 2.96Å; K32-C36 PolarHBondContact O-SG 3.49Å; K32-C36 VanDerWaalsContact O-SG 3.38Å
33M93.5Very high95.2Very high0 Ų037.7 Ų37.70%021%0.212CC..Hα-helixtrans-66.4-40.6172.9-69.8-167.281.300112.6L4 L7 V19 L29 L30 I31 K35 C36 N37 F38 L41 I87 L89L4-M33 HydrophobicContact CD2-CB 4.43Å; L4-M33 HydrophobicContact CD2-CG 3.27Å; L4-M33 HydrophobicContact CD2-SD 4.25Å; L7-M33 HydrophobicContact CD1-CE 4.26Å; V19-M33 HydrophobicContact CG1-CE 4.08Å; V19-M33 HydrophobicContact CG1-SD 3.78Å; V19-M33 HydrophobicContact CG2-CE 4.02Å; L29-M33 PolarHBondContact O-N 2.99Å; L30-M33 CarbonylContact O-C 3.5Å; L30-M33 PolarHBondContact O-N 2.91Å; L30-M33 VanDerWaalsContact O-N 3.11Å; I31-M33 VanDerWaalsContact C-N 3.34Å; I31-M33 PolarHBondContact O-N 3.5Å; M33-K35 VanDerWaalsContact C-N 3.3Å; M33-K35 PolarHBondContact O-N 2.93Å; M33-C36 CarbonylContact O-C 3.33Å; M33-C36 WeakPolarHBondContact O-CA 3.42Å; M33-C36 WeakPolarHBondContact O-CB 3.49Å; M33-C36 PolarHBondContact O-N 2.96Å; M33-N37 PolarHBondContact O-N 2.82Å; M33-F38 HydrophobicContact CB-CB 4.19Å; M33-F38 HydrophobicContact CB-CD2 3.96Å; M33-F38 HydrophobicContact CB-CG 4.3Å; M33-F38 HydrophobicContact CE-CD1 3.92Å; M33-F38 HydrophobicContact CE-CD2 3.69Å; M33-F38 HydrophobicContact CE-CE1 3.8Å; M33-F38 HydrophobicContact CE-CE2 3.52Å; M33-F38 HydrophobicContact CE-CG 3.87Å; M33-F38 HydrophobicContact CE-CZ 3.6Å; M33-F38 HydrophobicContact CG-CD2 4.4Å; M33-F38 WeakPolarHBondContact O-CB 3.36Å; M33-F38 WeakPolarHBondContact O-CD2 3.46Å; M33-F38 PolarHBondContact O-N 3.31Å; M33-F38 VanDerWaalsContact O-N 3.15Å; M33-L41 HydrophobicContact CB-CD1 4.4Å; M33-L41 HydrophobicContact CB-CD2 3.99Å; M33-I87 HydrophobicContact CE-CD1 4.35Å; M33-L89 HydrophobicContact SD-CD1 3.45Å; M33-L89 WeakPolarHBondContact SD-CD1 3.46Å; M33-L89 HydrophobicContact SD-CD2 4.25Å; M33-L89 HydrophobicContact SD-CG 4.43Å
34S95.3Very high95.2Very high25 Ų2536.8 Ų36.818%0.17520%0.202CC..Hα-helixtrans-58.4-44.2175.1-168.10000110.8L30 I31 C36 N37 C63L30-S34 PolarHBondContact O-N 3.22Å; I31-S34 WeakPolarHBondContact O-CB 3.43Å; I31-S34 PolarHBondContact O-N 3.45Å; S34-C36 PolarHBondContact O-N 3.06Å; S34-N37 WeakPolarHBondContact O-CA 3.32Å; S34-N37 PolarHBondContact O-N 3.15Å; S34-C63 WeakPolarHBondContact OG-CB 3.39Å
35K93.6Very high95.2Very high122 Ų12237 Ų3753%0.5320%0.202SC..Hα-helixtrans-65.6-17.9174.3-69.3177.8179.2-175.50113.7I31 K32 M33 N37 E61I31-K35 HydrophobicContact CG2-CD 4.37Å; I31-K35 WeakPolarHBondContact O-CG 3.39Å; I31-K35 PolarHBondContact O-N 3.37Å; K32-K35 PolarHBondContact O-N 3.38Å; M33-K35 VanDerWaalsContact C-N 3.3Å; M33-K35 PolarHBondContact O-N 2.93Å; K35-N37 VanDerWaalsContact C-N 3.31Å; K35-E61 WeakPolarHBondContact CE-OE2 3.31Å; K35-E61 IonicContact NZ-OE2 2.66Å; K35-E61 PolarHBondContact NZ-OE2 2.95Å
36C91.6Very high95.1Very high26 Ų2643.4 Ų43.418%0.17622%0.22CC..THydrogen-bonded Turntrans-94.520.1170.1-65.30000112.8R15 K32 M33 S34 F38R15-C36 PolarHBondContact NH1-O 3.21Å; K32-C36 PolarHBondContact O-N 2.96Å; K32-C36 PolarHBondContact O-SG 3.49Å; K32-C36 VanDerWaalsContact O-SG 3.38Å; M33-C36 CarbonylContact O-C 3.33Å; M33-C36 WeakPolarHBondContact O-CA 3.42Å; M33-C36 WeakPolarHBondContact O-CB 3.49Å; M33-C36 PolarHBondContact O-N 2.96Å; S34-C36 PolarHBondContact O-N 3.06Å; C36-F38 VanDerWaalsContact C-N 3.3Å; C36-F38 HydrophobicContact CB-CD2 4.25Å; C36-F38 HydrophobicContact CB-CE2 4.5Å; C36-F38 PolarHBondContact O-N 3.17Å
37N93.4Very high95Very high119 Ų11941.3 Ų41.364%0.63621%0.211SC*.THydrogen-bonded Turntrans68.215.6176.4-52-45.6000115.7R15 M33 S34 K35R15-N37 WeakPolarHBondContact CB-O 3.48Å; M33-N37 PolarHBondContact O-N 2.82Å; S34-N37 WeakPolarHBondContact O-CA 3.32Å; S34-N37 PolarHBondContact O-N 3.15Å; K35-N37 VanDerWaalsContact C-N 3.31Å
38F93.8Very high94.9Very high5 Ų543.8 Ų43.82%0.02223%0.231CC..  trans-67.5135.8167.9-75.7-90.2000110.1I13 R15 V19 M33 C36 L41 I87I13-F38 HydrophobicContact CG2-CE1 3.76Å; I13-F38 HydrophobicContact CG2-CZ 3.99Å; R15-F38 WeakPolarHBondContact O-CA 3.46Å; V19-F38 HydrophobicContact CG2-CD1 4.01Å; V19-F38 HydrophobicContact CG2-CE1 4.49Å; M33-F38 HydrophobicContact CB-CB 4.19Å; M33-F38 HydrophobicContact CB-CD2 3.96Å; M33-F38 HydrophobicContact CB-CG 4.3Å; M33-F38 HydrophobicContact CE-CD1 3.92Å; M33-F38 HydrophobicContact CE-CD2 3.69Å; M33-F38 HydrophobicContact CE-CE1 3.8Å; M33-F38 HydrophobicContact CE-CE2 3.52Å; M33-F38 HydrophobicContact CE-CG 3.87Å; M33-F38 HydrophobicContact CE-CZ 3.6Å; M33-F38 HydrophobicContact CG-CD2 4.4Å; M33-F38 WeakPolarHBondContact O-CB 3.36Å; M33-F38 WeakPolarHBondContact O-CD2 3.46Å; M33-F38 PolarHBondContact O-N 3.31Å; M33-F38 VanDerWaalsContact O-N 3.15Å; C36-F38 VanDerWaalsContact C-N 3.3Å; C36-F38 HydrophobicContact CB-CD2 4.25Å; C36-F38 HydrophobicContact CB-CE2 4.5Å; C36-F38 PolarHBondContact O-N 3.17Å; F38-L41 HydrophobicContact CB-CD1 4.44Å; F38-L41 HydrophobicContact CB-CD2 3.71Å; F38-L41 HydrophobicContact CB-CG 4.28Å; F38-I87 HydrophobicContact CE1-CD1 3.99Å
39T94.6Very high94.9Very high88 Ų8847.1 Ų47.154%0.5425%0.245SC..  trans-111-22.7-16847.40000114.3R15R15-T39 PolarHBondContact O-N 2.85Å; R15-T39 PolarHBondContact O-OG1 3.06Å; R15-T39 VanDerWaalsContact O-OG1 3.05Å
40H96.1Very high95.1Very high79 Ų7946.8 Ų46.837%0.36625%0.246SC..EExtended strand (participates in β ladder)trans-11583.1-178.6-57.2108.2000110S16 Q18 V19S16-H40 PolarHBondContact O-ND1 2.92Å; Q18-H40 VanDerWaalsContact NE2-CB 3.34Å; Q18-H40 PolarHBondContact NE2-CD2 3.01Å; Q18-H40 PolarHBondContact NE2-ND1 2.68Å; V19-H40 PolarHBondContact N-O 3.08Å
41L97.8Very high95.1Very high6 Ų647.1 Ų47.13%0.03125%0.247CC..EExtended strand (participates in β ladder)trans-112.9124.9-173-61.4178.4000110.2V19 L30 M33 F38 I65 Q66V19-L41 HydrophobicContact CB-CD2 3.75Å; V19-L41 HydrophobicContact CG1-CD2 4.2Å; V19-L41 HydrophobicContact CG2-CD2 3.9Å; L30-L41 HydrophobicContact CD2-CB 4.24Å; L30-L41 HydrophobicContact CD2-CD2 4.14Å; L30-L41 WeakPolarHBondContact O-CD1 3.24Å; M33-L41 HydrophobicContact CB-CD1 4.4Å; M33-L41 HydrophobicContact CB-CD2 3.99Å; F38-L41 HydrophobicContact CB-CD1 4.44Å; F38-L41 HydrophobicContact CB-CD2 3.71Å; F38-L41 HydrophobicContact CB-CG 4.28Å; L41-I65 HydrophobicContact CB-CB 4.45Å; L41-I65 HydrophobicContact CB-CG1 4.09Å; L41-I65 HydrophobicContact CB-CG2 4.15Å; L41-I65 HydrophobicContact CD1-CG1 4.02Å; L41-Q66 PolarHBondContact O-N 2.87Å
42T97.8Very high95.1Very high11 Ų1150.4 Ų50.47%0.06727%0.265CS..EExtended strand (participates in β ladder)trans-122126.9176.2-570000110.6V19 V20 D21 L44 Q66 F85V19-T42 PolarHBondContact O-N 3.02Å; V20-T42 CarbonylContact C-O 3.48Å; V20-T42 VanDerWaalsContact CA-O 3.26Å; V20-T42 WeakPolarHBondContact CA-O 3.34Å; V20-T42 HydrophobicContact CG2-CG2 4.34Å; D21-T42 PolarHBondContact N-O 3.33Å; T42-L44 HydrophobicContact CG2-CD2 4.02Å; T42-Q66 CarbonylContact C-O 3.46Å; T42-Q66 VanDerWaalsContact CA-O 3.26Å; T42-Q66 WeakPolarHBondContact CA-O 3.49Å; T42-F85 HydrophobicContact CG2-CE1 4.44Å; T42-F85 HydrophobicContact CG2-CZ 4.34Å
43G97.4Very high95.3Very high0 Ų050.3 Ų50.30%027%0.268CS..EExtended strand (participates in β ladder)trans-103.4126.3169.900000111.2L30 Q66 F67 E68L30-G43 VanDerWaalsContact CD1-CA 3.46Å; G43-Q66 PolarHBondContact N-O 2.89Å; G43-F67 WeakPolarHBondContact O-CA 3.45Å; G43-E68 PolarHBondContact O-N 3.27Å
44L96.6Very high95.6Very high4 Ų450.3 Ų50.32%0.02127%0.268CS..EExtended strand (participates in β ladder)trans-108.7134.9173.1-57.1-179.9000109.4V20 D21 G23 C24 T42 E68 L81V20-L44 HydrophobicContact CG2-CD1 3.51Å; V20-L44 HydrophobicContact CG2-CG 3.6Å; D21-L44 PolarHBondContact O-N 2.82Å; G23-L44 CarbonylContact C-O 3.57Å; G23-L44 WeakPolarHBondContact CA-O 3.29Å; G23-L44 PolarHBondContact N-O 2.59Å; C24-L44 PolarHBondContact N-O 2.77Å; T42-L44 HydrophobicContact CG2-CD2 4.02Å; L44-E68 HydrophobicContact CD2-CB 3.89Å; L44-E68 HydrophobicContact CD2-CG 4.25Å; L44-L81 HydrophobicContact CD1-CD1 3.7Å; L44-L81 HydrophobicContact CD2-CD1 3.86Å; L44-L81 HydrophobicContact CD2-CD2 4.42Å; L44-L81 HydrophobicContact CG-CD1 4.45Å
45D96Very high95.7Very high11 Ų1152.7 Ų52.76%0.05928%0.279CS..EExtended strand (participates in β ladder)trans-149.9150.2170.1-155.1-64.4000109.2G25 S47 L51 E68 V69 C70G25-D45 WeakPolarHBondContact CA-OD2 3.23Å; G25-D45 PolarHBondContact N-OD2 3.17Å; D45-S47 VanDerWaalsContact C-N 3.31Å; D45-S47 WeakPolarHBondContact OD1-CB 3.3Å; D45-S47 PolarHBondContact OD1-N 3.34Å; D45-L51 HydrophobicContact CB-CD1 4.4Å; D45-L51 HydrophobicContact CB-CD2 3.57Å; D45-L51 HydrophobicContact CB-CG 3.82Å; D45-E68 PolarHBondContact N-O 3.08Å; D45-V69 WeakPolarHBondContact O-CA 3.47Å; D45-C70 PolarHBondContact O-N 2.9Å
46Y93.6Very high95.9Very high160 Ų16054 Ų5463%0.62728%0.28SS*.SBendtrans-77.9-24.3174.771.7-94.8000111.5C70Y46-C70 WeakPolarHBondContact CA-O 3.35Å; Y46-C70 WeakPolarHBondContact CB-O 3.37Å
47S93.9Very high96.2Very high26 Ų2654.8 Ų54.818%0.18228%0.282CS..  trans-91.1112.9-176.9168.40000110.8D45 N49 S50 L51D45-S47 VanDerWaalsContact C-N 3.31Å; D45-S47 WeakPolarHBondContact OD1-CB 3.3Å; D45-S47 PolarHBondContact OD1-N 3.34Å; S47-N49 PolarHBondContact O-N 3.19Å; S47-S50 VanDerWaalsContact CB-OG 3.26Å; S47-S50 WeakPolarHBondContact CB-OG 3.12Å; S47-S50 WeakPolarHBondContact O-CB 3.1Å; S47-S50 PolarHBondContact O-N 2.61Å; S47-S50 VanDerWaalsContact O-N 3.08Å; S47-S50 PolarHBondContact OG-N 2.97Å; S47-S50 VanDerWaalsContact OG-N 3.09Å; S47-S50 PolarHBondContact OG-OG 2.79Å; S47-L51 PolarHBondContact O-N 2.92Å; S47-L51 VanDerWaalsContact O-N 3.12Å
48A93.6Very high96.5Very high51 Ų5149.2 Ų49.242%0.42125%0.253SS..Hα-helixtrans-56.8-37.4172.300000111.9S50 L51 D52A48-S50 VanDerWaalsContact C-N 3.32Å; A48-S50 PolarHBondContact O-N 2.93Å; A48-L51 PolarHBondContact O-N 3.37Å; A48-D52 PolarHBondContact O-N 3.42Å
49N95.8Very high96.6Very high127 Ų12752.6 Ų52.668%0.67928%0.282SS*.Hα-helixtrans-63.2-37.7176.7-67.9-15.6000112.4S47 L53S47-N49 PolarHBondContact O-N 3.19Å; N49-L53 PolarHBondContact O-N 3.07Å
50S95.5Very high96.8Very high32 Ų3258.2 Ų58.222%0.22429%0.293CS..Hα-helixtrans-65.1-44.5175.2-61.50000110.3G25 S47 A48 D52 L53 A54G25-S50 VanDerWaalsContact O-O 3.1Å; S47-S50 VanDerWaalsContact CB-OG 3.26Å; S47-S50 WeakPolarHBondContact CB-OG 3.12Å; S47-S50 WeakPolarHBondContact O-CB 3.1Å; S47-S50 PolarHBondContact O-N 2.61Å; S47-S50 VanDerWaalsContact O-N 3.08Å; S47-S50 PolarHBondContact OG-N 2.97Å; S47-S50 VanDerWaalsContact OG-N 3.09Å; S47-S50 PolarHBondContact OG-OG 2.79Å; A48-S50 VanDerWaalsContact C-N 3.32Å; A48-S50 PolarHBondContact O-N 2.93Å; S50-D52 PolarHBondContact O-N 2.9Å; S50-L53 WeakPolarHBondContact O-CB 3.47Å; S50-L53 PolarHBondContact O-N 3.49Å; S50-A54 WeakPolarHBondContact O-CB 3.49Å; S50-A54 PolarHBondContact O-N 3.43Å
51L96.6Very high96.8Very high6 Ų658.5 Ų58.53%0.03129%0.294CS..Hα-helixtrans-66.3-36.7177.4-63174.9000112.8D45 S47 A48 L53 A54 N55 F67 E68 V69D45-L51 HydrophobicContact CB-CD1 4.4Å; D45-L51 HydrophobicContact CB-CD2 3.57Å; D45-L51 HydrophobicContact CB-CG 3.82Å; S47-L51 PolarHBondContact O-N 2.92Å; S47-L51 VanDerWaalsContact O-N 3.12Å; A48-L51 PolarHBondContact O-N 3.37Å; L51-L53 VanDerWaalsContact C-N 3.33Å; L51-A54 PolarHBondContact O-N 3.49Å; L51-N55 WeakPolarHBondContact O-CB 3.26Å; L51-N55 PolarHBondContact O-N 3.33Å; L51-N55 PolarHBondContact O-ND2 3.49Å; L51-F67 HydrophobicContact CD2-CB 4.14Å; L51-F67 HydrophobicContact CD2-CD1 4Å; L51-F67 HydrophobicContact CD2-CG 4.47Å; L51-E68 WeakPolarHBondContact CD1-O 3.49Å; L51-V69 VanDerWaalsContact CD1-CA 3.5Å; L51-V69 HydrophobicContact CD1-CB 4.01Å; L51-V69 HydrophobicContact CD1-CG2 3.48Å; L51-V69 VanDerWaalsContact CD1-CG2 3.48Å
52D97.6Very high96.8Very high82 Ų8261.5 Ų61.544%0.43933%0.327SS..Hα-helixtrans-62.5-41.9172.9-79.7-7.6000111.5A48 S50 R56A48-D52 PolarHBondContact O-N 3.42Å; S50-D52 PolarHBondContact O-N 2.9Å; D52-R56 WeakPolarHBondContact O-CG 3.33Å; D52-R56 PolarHBondContact O-N 2.79Å; D52-R56 VanDerWaalsContact O-N 3.14Å
53L98Very high96.7Very high77 Ų7761.6 Ų61.640%0.40333%0.328SS..Hα-helixtrans-64.4-48.8174.517761.8000111.2N26 N49 S50 L51 N55 R56 I57N26-L53 HydrophobicContact CB-CD2 4.27Å; N49-L53 PolarHBondContact O-N 3.07Å; S50-L53 WeakPolarHBondContact O-CB 3.47Å; S50-L53 PolarHBondContact O-N 3.49Å; L51-L53 VanDerWaalsContact C-N 3.33Å; L53-N55 PolarHBondContact O-N 3.21Å; L53-R56 PolarHBondContact O-N 3.11Å; L53-I57 HydrophobicContact CD1-CD1 3.8Å; L53-I57 HydrophobicContact CD1-CG1 4.15Å; L53-I57 HydrophobicContact CG-CD1 3.83Å; L53-I57 WeakPolarHBondContact O-CG1 3.33Å; L53-I57 PolarHBondContact O-N 3.46Å
54A98.1Very high96.6Very high0 Ų069.9 Ų69.90%037%0.367CS..Hα-helixtrans-56.6-47.2177.700000112.1G25 A27 S50 L51 R56 I57 A58 F67G25-A54 WeakPolarHBondContact O-CB 3.44Å; A27-A54 HydrophobicContact CB-CB 3.74Å; S50-A54 WeakPolarHBondContact O-CB 3.49Å; S50-A54 PolarHBondContact O-N 3.43Å; L51-A54 PolarHBondContact O-N 3.49Å; A54-R56 PolarHBondContact O-N 3.39Å; A54-I57 PolarHBondContact O-N 3.41Å; A54-A58 WeakPolarHBondContact O-CB 3.22Å; A54-A58 PolarHBondContact O-N 3.29Å; A54-F67 HydrophobicContact CB-CD1 3.99Å; A54-F67 HydrophobicContact CB-CE1 3.56Å; A54-F67 HydrophobicContact CB-CE2 4.39Å; A54-F67 HydrophobicContact CB-CZ 3.74Å
55N97.9Very high96.6Very high74 Ų7470.7 Ų70.740%0.39637%0.371SS..Hα-helixtrans-56.1-48175.3-88.8-69.5000111.8L51 L53 I57 A58 A59 F67L51-N55 WeakPolarHBondContact O-CB 3.26Å; L51-N55 PolarHBondContact O-N 3.33Å; L51-N55 PolarHBondContact O-ND2 3.49Å; L53-N55 PolarHBondContact O-N 3.21Å; N55-I57 VanDerWaalsContact C-N 3.35Å; N55-I57 PolarHBondContact O-N 2.89Å; N55-A58 PolarHBondContact O-N 2.84Å; N55-A59 WeakPolarHBondContact O-CB 3.26Å; N55-A59 PolarHBondContact O-N 2.96Å; N55-F67 HydrophobicContact CB-CD2 4.33Å; N55-F67 VanDerWaalsContact CG-CD2 3.4Å; N55-F67 WeakPolarHBondContact OD1-CD2 3.39Å
56R98.3Very high96.6Very high149 Ų14975.8 Ų75.856%0.56239%0.394SS*.Hα-helixtrans-62.6-40.5179.1-75.4-174.1-67.1-99.3-0.8112.5D52 L53 A54 R60D52-R56 WeakPolarHBondContact O-CG 3.33Å; D52-R56 PolarHBondContact O-N 2.79Å; D52-R56 VanDerWaalsContact O-N 3.14Å; L53-R56 PolarHBondContact O-N 3.11Å; A54-R56 PolarHBondContact O-N 3.39Å; R56-R60 WeakPolarHBondContact O-CB 3.44Å; R56-R60 PolarHBondContact O-N 3Å; R56-R60 VanDerWaalsContact O-N 3.09Å
57I98.4Very high96.7Very high43 Ų4369.7 Ų69.722%0.22137%0.371CS..Hα-helixtrans-70.1-46.9178.5-61.7168.6000109.7N26 I31 L53 A54 N55 A59 R60 E61N26-I57 HydrophobicContact CB-CD1 3.82Å; I31-I57 HydrophobicContact CD1-CB 4.19Å; I31-I57 HydrophobicContact CD1-CG2 3.41Å; I31-I57 VanDerWaalsContact CD1-CG2 3.41Å; L53-I57 HydrophobicContact CD1-CD1 3.8Å; L53-I57 HydrophobicContact CD1-CG1 4.15Å; L53-I57 HydrophobicContact CG-CD1 3.83Å; L53-I57 WeakPolarHBondContact O-CG1 3.33Å; L53-I57 PolarHBondContact O-N 3.46Å; A54-I57 PolarHBondContact O-N 3.41Å; N55-I57 VanDerWaalsContact C-N 3.35Å; N55-I57 PolarHBondContact O-N 2.89Å; I57-A59 VanDerWaalsContact C-N 3.32Å; I57-A59 PolarHBondContact O-N 3.39Å; I57-R60 WeakPolarHBondContact O-CB 3.45Å; I57-R60 PolarHBondContact O-N 2.95Å; I57-R60 VanDerWaalsContact O-N 3.15Å; I57-E61 HydrophobicContact CG2-CG 4.22Å; I57-E61 WeakPolarHBondContact O-CB 3.35Å; I57-E61 VanDerWaalsContact O-CG 3.29Å; I57-E61 WeakPolarHBondContact O-CG 3.38Å; I57-E61 PolarHBondContact O-N 3.12Å
58A98.1Very high96.6Very high3 Ų369.2 Ų69.23%0.02537%0.366CS..Hα-helixtrans-57.2-45.1177.700000111.9A54 N55 R60 E61 G62 C63 I65 F67A54-A58 WeakPolarHBondContact O-CB 3.22Å; A54-A58 PolarHBondContact O-N 3.29Å; N55-A58 PolarHBondContact O-N 2.84Å; A58-R60 PolarHBondContact O-N 3.18Å; A58-E61 CarbonylContact O-C 3.59Å; A58-E61 PolarHBondContact O-N 3.48Å; A58-G62 PolarHBondContact O-N 3.11Å; A58-G62 VanDerWaalsContact O-N 3.07Å; A58-C63 HydrophobicContact CB-CB 4.47Å; A58-C63 PolarHBondContact O-N 3.43Å; A58-I65 HydrophobicContact CB-CD1 4.07Å; A58-F67 HydrophobicContact CB-CE2 3.85Å; A58-F67 HydrophobicContact CB-CZ 4.09Å
59A97.6Very high96.3Very high75 Ų7568.9 Ų68.962%0.6236%0.359SS*.Hα-helixtrans-62.2-42.417600000112.5N55 I57 E61 G62N55-A59 WeakPolarHBondContact O-CB 3.26Å; N55-A59 PolarHBondContact O-N 2.96Å; I57-A59 VanDerWaalsContact C-N 3.32Å; I57-A59 PolarHBondContact O-N 3.39Å; A59-E61 VanDerWaalsContact C-N 3.28Å; A59-E61 PolarHBondContact O-N 3.1Å; A59-G62 PolarHBondContact O-N 2.77Å
60R97.9Very high95.8Very high207 Ų20763 Ų6378%0.78133%0.328SS*.Hα-helixtrans-62.2-37.4175.3-179.4-176.6-65.3175.8-1.6112.1R56 I57 A58 G62R56-R60 WeakPolarHBondContact O-CB 3.44Å; R56-R60 PolarHBondContact O-N 3Å; R56-R60 VanDerWaalsContact O-N 3.09Å; I57-R60 WeakPolarHBondContact O-CB 3.45Å; I57-R60 PolarHBondContact O-N 2.95Å; I57-R60 VanDerWaalsContact O-N 3.15Å; A58-R60 PolarHBondContact O-N 3.18Å; R60-G62 VanDerWaalsContact C-N 3.26Å; R60-G62 PolarHBondContact O-N 3.29Å
61E97.3Very high94.7Very high84 Ų8469.3 Ų69.339%0.39335%0.353SS..THydrogen-bonded Turntrans-83.81.7179.6-63.1-66.8138.900113I31 K35 I57 A58 A59 C63I31-E61 HydrophobicContact CG2-CB 4.2Å; I31-E61 HydrophobicContact CG2-CG 4.13Å; K35-E61 WeakPolarHBondContact CE-OE2 3.31Å; K35-E61 IonicContact NZ-OE2 2.66Å; K35-E61 PolarHBondContact NZ-OE2 2.95Å; I57-E61 HydrophobicContact CG2-CG 4.22Å; I57-E61 WeakPolarHBondContact O-CB 3.35Å; I57-E61 VanDerWaalsContact O-CG 3.29Å; I57-E61 WeakPolarHBondContact O-CG 3.38Å; I57-E61 PolarHBondContact O-N 3.12Å; A58-E61 CarbonylContact O-C 3.59Å; A58-E61 PolarHBondContact O-N 3.48Å; A59-E61 VanDerWaalsContact C-N 3.28Å; A59-E61 PolarHBondContact O-N 3.1Å; E61-C63 PolarHBondContact O-N 2.93Å; E61-C63 PolarHBondContact O-SG 3.38Å
62G96.3Very high93.3Very high69 Ų6972.7 Ų72.771%0.71138%0.376SS*.THydrogen-bonded Turntrans62.929-178.100000113.7A58 A59 R60A58-G62 PolarHBondContact O-N 3.11Å; A58-G62 VanDerWaalsContact O-N 3.07Å; A59-G62 PolarHBondContact O-N 2.77Å; R60-G62 VanDerWaalsContact C-N 3.26Å; R60-G62 PolarHBondContact O-N 3.29Å
63C96.3Very high92.7Very high13 Ų1370.7 Ų70.79%0.08837%0.366CS..  trans-100.9130-177.5-63.40000110.7S34 A58 E61 I65S34-C63 WeakPolarHBondContact OG-CB 3.39Å; A58-C63 HydrophobicContact CB-CB 4.47Å; A58-C63 PolarHBondContact O-N 3.43Å; E61-C63 PolarHBondContact O-N 2.93Å; E61-C63 PolarHBondContact O-SG 3.38Å; C63-I65 HydrophobicContact CB-CD1 4.06Å; C63-I65 HydrophobicContact CB-CG1 4.33Å; C63-I65 PolarHBondContact O-N 3.23Å
64E95Very high92.5Very high175 Ų17567.3 Ų67.382%0.81835%0.348SS*.  trans-88.2106.4173.3-67.6-175.3179.300109.8
65I97Very high92.3Very high20 Ų2068.5 Ų68.510%0.10335%0.354CS..  trans-134.4130.4-179.3-59.8166.5000108.1L30 I31 L41 A58 C63 F67L30-I65 HydrophobicContact CB-CD1 3.78Å; L30-I65 HydrophobicContact CB-CG1 4.46Å; L30-I65 HydrophobicContact CB-CG2 4.34Å; L30-I65 HydrophobicContact CD1-CG2 3.74Å; I31-I65 HydrophobicContact CG1-CD1 3.89Å; L41-I65 HydrophobicContact CB-CB 4.45Å; L41-I65 HydrophobicContact CB-CG1 4.09Å; L41-I65 HydrophobicContact CB-CG2 4.15Å; L41-I65 HydrophobicContact CD1-CG1 4.02Å; A58-I65 HydrophobicContact CB-CD1 4.07Å; C63-I65 HydrophobicContact CB-CD1 4.06Å; C63-I65 HydrophobicContact CB-CG1 4.33Å; C63-I65 PolarHBondContact O-N 3.23Å; I65-F67 HydrophobicContact CB-CD2 4.47Å; I65-F67 HydrophobicContact CB-CE1 4.44Å; I65-F67 HydrophobicContact CB-CE2 3.71Å; I65-F67 HydrophobicContact CB-CZ 3.69Å; I65-F67 HydrophobicContact CD1-CZ 4.25Å; I65-F67 HydrophobicContact CG2-CD1 4.26Å; I65-F67 HydrophobicContact CG2-CD2 4.3Å; I65-F67 HydrophobicContact CG2-CE1 3.61Å; I65-F67 HydrophobicContact CG2-CE2 3.73Å; I65-F67 HydrophobicContact CG2-CZ 3.35Å; I65-F67 WeakPolarHBondContact O-CD2 3.45Å
66Q96.3Very high92Very high118 Ų11868.5 Ų68.555%0.55136%0.359SS*.EExtended strand (participates in β ladder)trans-80.5130.3172.7-178.6177.1-19.200109.4L41 T42 G43L41-Q66 PolarHBondContact O-N 2.87Å; T42-Q66 CarbonylContact C-O 3.46Å; T42-Q66 VanDerWaalsContact CA-O 3.26Å; T42-Q66 WeakPolarHBondContact CA-O 3.49Å; G43-Q66 PolarHBondContact N-O 2.89Å
67F95.5Very high91.6Very high32 Ų3262.1 Ų62.114%0.1434%0.336CS..EExtended strand (participates in β ladder)trans-116.3140.4176.7-68.3-70.1000110.9A27 L30 G43 L51 A54 N55 A58 I65A27-F67 HydrophobicContact CB-CE1 3.52Å; A27-F67 HydrophobicContact CB-CZ 3.57Å; L30-F67 HydrophobicContact CD1-CE1 4.39Å; G43-F67 WeakPolarHBondContact O-CA 3.45Å; L51-F67 HydrophobicContact CD2-CB 4.14Å; L51-F67 HydrophobicContact CD2-CD1 4Å; L51-F67 HydrophobicContact CD2-CG 4.47Å; A54-F67 HydrophobicContact CB-CD1 3.99Å; A54-F67 HydrophobicContact CB-CE1 3.56Å; A54-F67 HydrophobicContact CB-CE2 4.39Å; A54-F67 HydrophobicContact CB-CZ 3.74Å; N55-F67 HydrophobicContact CB-CD2 4.33Å; N55-F67 VanDerWaalsContact CG-CD2 3.4Å; N55-F67 WeakPolarHBondContact OD1-CD2 3.39Å; A58-F67 HydrophobicContact CB-CE2 3.85Å; A58-F67 HydrophobicContact CB-CZ 4.09Å; I65-F67 HydrophobicContact CB-CD2 4.47Å; I65-F67 HydrophobicContact CB-CE1 4.44Å; I65-F67 HydrophobicContact CB-CE2 3.71Å; I65-F67 HydrophobicContact CB-CZ 3.69Å; I65-F67 HydrophobicContact CD1-CZ 4.25Å; I65-F67 HydrophobicContact CG2-CD1 4.26Å; I65-F67 HydrophobicContact CG2-CD2 4.3Å; I65-F67 HydrophobicContact CG2-CE1 3.61Å; I65-F67 HydrophobicContact CG2-CE2 3.73Å; I65-F67 HydrophobicContact CG2-CZ 3.35Å; I65-F67 WeakPolarHBondContact O-CD2 3.45Å
68E91.7Very high91.2Very high17 Ų1761.9 Ų61.98%0.07934%0.337CS..EExtended strand (participates in β ladder)trans-147.1131.7-174179.8-176.7136.600112.2G43 L44 D45 L51 C70 R80 L81G43-E68 PolarHBondContact O-N 3.27Å; L44-E68 HydrophobicContact CD2-CB 3.89Å; L44-E68 HydrophobicContact CD2-CG 4.25Å; D45-E68 PolarHBondContact N-O 3.08Å; L51-E68 WeakPolarHBondContact CD1-O 3.49Å; E68-C70 PolarHBondContact O-N 3.42Å; E68-R80 IonicContact OE1-CZ 2.67Å; E68-R80 IonicContact OE1-NH1 2.79Å; E68-R80 PolarHBondContact OE1-NH1 2.85Å; E68-R80 IonicContact OE1-NH2 3.45Å; E68-R80 PolarHBondContact OE1-NH2 3.21Å; E68-R80 IonicContact OE2-CZ 3.64Å; E68-R80 IonicContact OE2-NH1 2.7Å; E68-R80 PolarHBondContact OE2-NH1 3.09Å; E68-R80 IonicContact OE2-NH2 3.91Å; E68-L81 WeakPolarHBondContact OE1-CD1 3.34Å; E68-L81 WeakPolarHBondContact OE1-CD2 3.24Å
69V87.9Confident90.8Very high44 Ų4470.4 Ų70.427%0.26737%0.373SS..EExtended strand (participates in β ladder)trans-75.4124.7178-174.10000110D45 L51D45-V69 WeakPolarHBondContact O-CA 3.47Å; L51-V69 VanDerWaalsContact CD1-CA 3.5Å; L51-V69 HydrophobicContact CD1-CB 4.01Å; L51-V69 HydrophobicContact CD1-CG2 3.48Å; L51-V69 VanDerWaalsContact CD1-CG2 3.48Å
70C84Confident90.5Very high4 Ų473 Ų733%0.02737%0.367CS..  trans-103.386.1168.8-159.30000109.4D45 Y46 E68 C72 D73D45-C70 PolarHBondContact O-N 2.9Å; Y46-C70 WeakPolarHBondContact CA-O 3.35Å; Y46-C70 WeakPolarHBondContact CB-O 3.37Å; E68-C70 PolarHBondContact O-N 3.42Å; C70-C72 PolarHBondContact O-N 3.26Å; C70-D73 PolarHBondContact O-N 2.71Å; C70-D73 PolarHBondContact SG-O 3.05Å
71H73Confident90.3Very high164 Ų16463.3 Ų63.376%0.75933%0.331SS*.THydrogen-bonded Turntrans-53.6-20.2-168.1-73.7-66.9000116.4
72C68.2Low90.1Very high76 Ų7662.3 Ų62.351%0.51433%0.326SS..THydrogen-bonded Turntrans-125.732.2-177.8-68.70000111.6C70 C76C70-C72 PolarHBondContact O-N 3.26Å; C72-C76 HydrophobicContact CB-CB 3.29Å
73D84.8Confident89.9Confident41 Ų4161 Ų6122%0.21931%0.308CS..THydrogen-bonded Turntrans50.4-170.2-171.273.949.2000112.9C70 L75 C76 R100C70-D73 PolarHBondContact O-N 2.71Å; C70-D73 PolarHBondContact SG-O 3.05Å; D73-L75 PolarHBondContact O-N 3.5Å; D73-L75 WeakPolarHBondContact OD1-CA 3.15Å; D73-L75 WeakPolarHBondContact OD1-CB 3.18Å; D73-L75 WeakPolarHBondContact OD1-CG 3.27Å; D73-L75 PolarHBondContact OD1-N 2.79Å; D73-C76 PolarHBondContact O-N 2.77Å; D73-R100 IonicContact OD2-NH1 3.82Å
74I92.4Very high89.7Confident6 Ų664.8 Ų64.83%0.03132%0.324CS..THydrogen-bonded Turntrans-70.2-14.9-177.2-173.960.1000113.4I22 C76 L77 T93 Y110 N113 V114 L117I22-I74 HydrophobicContact CD1-CD1 4.15Å; I22-I74 HydrophobicContact CD1-CG1 4.19Å; I22-I74 HydrophobicContact CG2-CB 3.71Å; I22-I74 HydrophobicContact CG2-CD1 4.17Å; I22-I74 HydrophobicContact CG2-CG1 3.82Å; I22-I74 HydrophobicContact CG2-CG2 4.06Å; I74-C76 VanDerWaalsContact C-N 3.25Å; I74-C76 PolarHBondContact O-N 2.78Å; I74-L77 HydrophobicContact CD1-CD1 4.11Å; I74-T93 HydrophobicContact CG2-CG2 4.1Å; I74-Y110 HydrophobicContact CG1-CD2 4.22Å; I74-Y110 HydrophobicContact CG1-CE2 4.32Å; I74-Y110 HydrophobicContact CG2-CD2 3.54Å; I74-Y110 HydrophobicContact CG2-CE2 3.92Å; I74-N113 WeakPolarHBondContact O-CB 3.31Å; I74-N113 PolarHBondContact O-ND2 3.41Å; I74-V114 HydrophobicContact CG1-CG2 4.44Å; I74-L117 HydrophobicContact CD1-CD1 4.13Å
75L93.9Very high89.7Confident25 Ų2556.7 Ų56.713%0.13129%0.285CS..THydrogen-bonded Turntrans-69.4-22.4176.7-61.4-179.3000112.7D73 I97 S106 L109 N113D73-L75 PolarHBondContact O-N 3.5Å; D73-L75 WeakPolarHBondContact OD1-CA 3.15Å; D73-L75 WeakPolarHBondContact OD1-CB 3.18Å; D73-L75 WeakPolarHBondContact OD1-CG 3.27Å; D73-L75 PolarHBondContact OD1-N 2.79Å; L75-I97 HydrophobicContact CD1-CD1 3.96Å; L75-I97 HydrophobicContact CD2-CD1 4.08Å; L75-I97 HydrophobicContact CD2-CG2 4.37Å; L75-I97 HydrophobicContact CG-CD1 3.88Å; L75-S106 VanDerWaalsContact CD2-O 3.24Å; L75-S106 WeakPolarHBondContact CD2-O 3.49Å; L75-L109 HydrophobicContact CB-CD2 4.04Å; L75-L109 HydrophobicContact CB-CG 4.44Å; L75-L109 HydrophobicContact CD2-CB 4.21Å; L75-L109 HydrophobicContact CD2-CD2 4.3Å; L75-L109 HydrophobicContact CD2-CG 4.14Å; L75-N113 WeakPolarHBondContact CA-ND2 3.24Å; L75-N113 PolarHBondContact O-ND2 2.85Å
76C92.1Very high89.3Confident74 Ų7456.1 Ų56.150%0.528%0.283SS..SBendtrans-117.477.5173.7-175.50000110.2C72 D73 I74 P78C72-C76 HydrophobicContact CB-CB 3.29Å; D73-C76 PolarHBondContact O-N 2.77Å; I74-C76 VanDerWaalsContact C-N 3.25Å; I74-C76 PolarHBondContact O-N 2.78Å; C76-P78 WeakPolarHBondContact O-CD 3.17Å
77L90.7Very high89Confident14 Ų1450.5 Ų50.57%0.07326%0.257CS..  trans-69.3118.7-177-176.168.2000112.1I74 K79 L81 E82 N113 R116 L117I74-L77 HydrophobicContact CD1-CD1 4.11Å; L77-K79 PolarHBondContact O-N 2.85Å; L77-L81 HydrophobicContact CD1-CB 3.86Å; L77-L81 HydrophobicContact CD1-CD1 4.17Å; L77-E82 HydrophobicContact CD2-CG 3.88Å; L77-E82 HydrophobicContact CG-CG 4.49Å; L77-N113 HydrophobicContact CB-CB 4.06Å; L77-N113 HydrophobicContact CD2-CB 4.35Å; L77-R116 HydrophobicContact CD2-CB 3.74Å; L77-L117 HydrophobicContact CD1-CD2 3.53Å; L77-L117 HydrophobicContact CD1-CG 4.26Å; L77-L117 HydrophobicContact CD2-CD2 4.3Å; L77-L117 HydrophobicContact CD2-CG 4.49Å
78P89.3Confident88.9Confident38 Ų3849 Ų4925%0.24725%0.25CC..  trans-61.6134.8171.5-22.233.8000111.7C76 R80 L81C76-P78 WeakPolarHBondContact O-CD 3.17Å; P78-R80 HydrophobicContact CB-CG 4.13Å; P78-R80 PolarHBondContact O-N 3.39Å; P78-L81 HydrophobicContact CG-CD1 4.34Å; P78-L81 PolarHBondContact O-N 3.44Å
79K90.6Very high89Confident182 Ų18248.2 Ų48.279%0.79125%0.246SC*.G310 helixtrans-51.7-32.4179.8-69.3-170.7178.6-179.20114.1L77 L81 E82L77-K79 PolarHBondContact O-N 2.85Å; K79-L81 PolarHBondContact O-N 3.14Å; K79-E82 WeakPolarHBondContact CA-OE1 3.42Å; K79-E82 WeakPolarHBondContact O-CB 3.32Å; K79-E82 PolarHBondContact O-N 3.41Å
80R91.4Very high89.2Confident131 Ų13146.2 Ų46.249%0.49423%0.234SC..G310 helixtrans-70.1-10.2-179.969.2-170.7178.372.78.9114.3E68 P78 K84E68-R80 IonicContact OE1-CZ 2.67Å; E68-R80 IonicContact OE1-NH1 2.79Å; E68-R80 PolarHBondContact OE1-NH1 2.85Å; E68-R80 IonicContact OE1-NH2 3.45Å; E68-R80 PolarHBondContact OE1-NH2 3.21Å; E68-R80 IonicContact OE2-CZ 3.64Å; E68-R80 IonicContact OE2-NH1 2.7Å; E68-R80 PolarHBondContact OE2-NH1 3.09Å; E68-R80 IonicContact OE2-NH2 3.91Å; P78-R80 HydrophobicContact CB-CG 4.13Å; P78-R80 PolarHBondContact O-N 3.39Å; R80-K84 VanDerWaalsContact O-CD 3.23Å; R80-K84 WeakPolarHBondContact O-CD 3.09Å; R80-K84 WeakPolarHBondContact O-CE 3.41Å; R80-K84 PolarHBondContact O-NZ 3.5Å
81L92.9Very high89.5Confident3 Ų351.7 Ų51.72%0.01626%0.257CS..G310 helixtrans-97.7-8.8174.6-68.4-178.4000112.9L44 E68 L77 P78 K79 F85 L117L44-L81 HydrophobicContact CD1-CD1 3.7Å; L44-L81 HydrophobicContact CD2-CD1 3.86Å; L44-L81 HydrophobicContact CD2-CD2 4.42Å; L44-L81 HydrophobicContact CG-CD1 4.45Å; E68-L81 WeakPolarHBondContact OE1-CD1 3.34Å; E68-L81 WeakPolarHBondContact OE1-CD2 3.24Å; L77-L81 HydrophobicContact CD1-CB 3.86Å; L77-L81 HydrophobicContact CD1-CD1 4.17Å; P78-L81 HydrophobicContact CG-CD1 4.34Å; P78-L81 PolarHBondContact O-N 3.44Å; K79-L81 PolarHBondContact O-N 3.14Å; L81-F85 HydrophobicContact CB-CE2 4.49Å; L81-F85 HydrophobicContact CD2-CE2 4.18Å; L81-F85 HydrophobicContact CD2-CZ 4.11Å; L81-L117 HydrophobicContact CB-CD2 4.03Å
82E92.7Very high90.3Very high63 Ų6344.8 Ų44.829%0.29423%0.231SC..THydrogen-bonded Turntrans-68.3141.7-179.4-62.7-173.4-126.900112L77 K79 K84 R116L77-E82 HydrophobicContact CD2-CG 3.88Å; L77-E82 HydrophobicContact CG-CG 4.49Å; K79-E82 WeakPolarHBondContact CA-OE1 3.42Å; K79-E82 WeakPolarHBondContact O-CB 3.32Å; K79-E82 PolarHBondContact O-N 3.41Å; E82-K84 VanDerWaalsContact C-N 3.28Å; E82-K84 PolarHBondContact O-N 3.45Å; E82-R116 CarbonylContact C-O 3.55Å; E82-R116 WeakPolarHBondContact CA-O 3.48Å; E82-R116 HydrophobicContact CG-CB 4.43Å; E82-R116 IonicContact OE1-CZ 2.94Å; E82-R116 IonicContact OE1-NE 2.61Å; E82-R116 IonicContact OE1-NH2 3.65Å; E82-R116 PolarHBondContact OE1-NH2 3.15Å; E82-R116 IonicContact OE2-CZ 3.22Å; E82-R116 IonicContact OE2-NE 2.78Å; E82-R116 PolarHBondContact OE2-NE 3.49Å; E82-R116 IonicContact OE2-NH2 2.77Å; E82-R116 PolarHBondContact OE2-NH2 2.89Å; E82-R116 VanDerWaalsContact OE2-NH2 3.12Å
83A92.2Very high91.5Very high40 Ų4042.5 Ų42.533%0.33121%0.214SC..THydrogen-bonded Turntrans53.538.1174.800000114.9R116 F118 R119 T120A83-R116 PolarHBondContact N-O 3.04Å; A83-F118 WeakPolarHBondContact CA-O 3.48Å; A83-R119 WeakPolarHBondContact O-CG 3.43Å; A83-T120 HydrophobicContact CB-CG2 4.36Å
84K93Very high91.9Very high94 Ų9440.5 Ų40.541%0.40920%0.204SC..  trans-106.7-29.3-176.2-81.7-166.8166.3174.60115.2Q18 R80 E82 L117 R119Q18-K84 WeakPolarHBondContact CB-O 3.32Å; Q18-K84 WeakPolarHBondContact CG-O 3.47Å; R80-K84 VanDerWaalsContact O-CD 3.23Å; R80-K84 WeakPolarHBondContact O-CD 3.09Å; R80-K84 WeakPolarHBondContact O-CE 3.41Å; R80-K84 PolarHBondContact O-NZ 3.5Å; E82-K84 VanDerWaalsContact C-N 3.28Å; E82-K84 PolarHBondContact O-N 3.45Å; K84-L117 PolarHBondContact N-O 3Å; K84-R119 WeakPolarHBondContact O-CD 3.35Å; K84-R119 PolarHBondContact O-NE 3.02Å
85F93.3Very high92Very high4 Ų441 Ų412%0.01821%0.206CC..BIsolated β-bridgetrans-108.8147.7-163.6-55.2-75.1000112.5Q18 V20 T42 L81 L117 F118 R119Q18-F85 HydrophobicContact CB-CD1 4.1Å; V20-F85 HydrophobicContact CB-CB 4.5Å; V20-F85 HydrophobicContact CB-CD1 3.59Å; V20-F85 HydrophobicContact CB-CD2 3.97Å; V20-F85 HydrophobicContact CB-CE1 3.67Å; V20-F85 HydrophobicContact CB-CE2 4.02Å; V20-F85 HydrophobicContact CB-CG 3.74Å; V20-F85 HydrophobicContact CB-CZ 3.87Å; V20-F85 HydrophobicContact CG1-CB 3.86Å; V20-F85 HydrophobicContact CG1-CD1 3.89Å; V20-F85 HydrophobicContact CG1-CD2 3.63Å; V20-F85 HydrophobicContact CG1-CE1 4.35Å; V20-F85 HydrophobicContact CG1-CE2 4.1Å; V20-F85 HydrophobicContact CG1-CG 3.49Å; V20-F85 VanDerWaalsContact CG1-CG 3.49Å; V20-F85 HydrophobicContact CG1-CZ 4.43Å; V20-F85 HydrophobicContact CG2-CE1 4.27Å; V20-F85 HydrophobicContact CG2-CE2 4.21Å; V20-F85 HydrophobicContact CG2-CZ 4.04Å; T42-F85 HydrophobicContact CG2-CE1 4.44Å; T42-F85 HydrophobicContact CG2-CZ 4.34Å; L81-F85 HydrophobicContact CB-CE2 4.49Å; L81-F85 HydrophobicContact CD2-CE2 4.18Å; L81-F85 HydrophobicContact CD2-CZ 4.11Å; F85-L117 HydrophobicContact CD2-CB 4.07Å; F85-L117 HydrophobicContact CD2-CD2 3.98Å; F85-L117 HydrophobicContact CE2-CD2 3.93Å; F85-L117 PolarHBondContact N-O 2.96Å; F85-F118 CarbonylContact O-C 3.59Å; F85-F118 WeakPolarHBondContact O-CA 3.4Å; F85-R119 PolarHBondContact O-N 2.98Å
86D89.2Confident92Very high9 Ų944.1 Ų44.15%0.04823%0.226CC..SBendtrans-96.5-32.6172.5-53.4-56.5000110S17 Q18 R119 R126 F127S17-D86 WeakPolarHBondContact CA-OD2 3.29Å; Q18-D86 PolarHBondContact N-OD2 3.45Å; Q18-D86 PolarHBondContact O-N 2.91Å; D86-R119 WeakPolarHBondContact OD1-CD 3.49Å; D86-R119 IonicContact OD1-NE 3.97Å; D86-R119 IonicContact OD1-NH1 3.21Å; D86-R119 PolarHBondContact OD1-NH1 3.19Å; D86-R119 IonicContact OD2-CZ 3.95Å; D86-R119 IonicContact OD2-NH1 3.02Å; D86-R119 PolarHBondContact OD2-NH1 3.37Å; D86-R126 WeakPolarHBondContact O-CA 3.49Å; D86-F127 PolarHBondContact O-N 3.42Å
87I90.4Very high92.1Very high0 Ų040.8 Ų40.80%020%0.204CC..EExtended strand (participates in β ladder)trans-126.7129.1-179.6-49.3177.5000109.2I13 Q18 V19 V20 M33 F38 L89 F127 L129I13-I87 HydrophobicContact CD1-CD1 4.32Å; I13-I87 HydrophobicContact CG2-CD1 3.39Å; I13-I87 HydrophobicContact CG2-CG1 4.38Å; Q18-I87 PolarHBondContact O-N 3.4Å; V19-I87 WeakPolarHBondContact CA-O 3.49Å; V19-I87 HydrophobicContact CB-CB 4.45Å; V19-I87 HydrophobicContact CG1-CB 4.2Å; V19-I87 HydrophobicContact CG1-CG2 4.28Å; V19-I87 HydrophobicContact CG2-CB 4.16Å; V19-I87 HydrophobicContact CG2-CD1 3.94Å; V19-I87 HydrophobicContact CG2-CG1 4.4Å; V20-I87 PolarHBondContact N-O 2.83Å; M33-I87 HydrophobicContact CE-CD1 4.35Å; F38-I87 HydrophobicContact CE1-CD1 3.99Å; I87-L89 HydrophobicContact CG2-CD2 3.65Å; I87-L89 HydrophobicContact CG2-CG 4.45Å; I87-F127 CarbonylContact C-O 3.58Å; I87-F127 WeakPolarHBondContact CA-O 3.33Å; I87-F127 HydrophobicContact CG1-CB 4.39Å; I87-F127 HydrophobicContact CG1-CD2 4.33Å; I87-F127 HydrophobicContact CG2-CB 4.21Å; I87-L129 HydrophobicContact CG2-CD1 4.08Å
88V92.8Very high92.2Very high0 Ų044.4 Ų44.40%022%0.217CC..EExtended strand (participates in β ladder)trans-114134.8170.5179.10000108V20 I22 V114 L117 F118 F127 L128 L129V20-V88 HydrophobicContact CG1-CB 4.18Å; V20-V88 HydrophobicContact CG1-CG1 4.18Å; V20-V88 HydrophobicContact CG1-CG2 3.73Å; V20-V88 CarbonylContact O-C 3.53Å; V20-V88 WeakPolarHBondContact O-CA 3.23Å; I22-V88 HydrophobicContact CD1-CG1 3.43Å; I22-V88 VanDerWaalsContact CD1-CG1 3.43Å; I22-V88 HydrophobicContact CG1-CG1 3.99Å; V88-V114 HydrophobicContact CG1-CG1 4.16Å; V88-L117 HydrophobicContact CG1-CD1 4.18Å; V88-L117 HydrophobicContact CG2-CB 4.02Å; V88-L117 HydrophobicContact CG2-CD1 4.15Å; V88-F118 HydrophobicContact CB-CE1 4.1Å; V88-F118 HydrophobicContact CB-CE2 4.37Å; V88-F118 HydrophobicContact CB-CZ 3.7Å; V88-F118 HydrophobicContact CG2-CD1 4.08Å; V88-F118 HydrophobicContact CG2-CD2 4.39Å; V88-F118 HydrophobicContact CG2-CE1 3.54Å; V88-F118 HydrophobicContact CG2-CE2 3.89Å; V88-F118 HydrophobicContact CG2-CG 4.48Å; V88-F118 HydrophobicContact CG2-CZ 3.43Å; V88-F118 VanDerWaalsContact CG2-CZ 3.43Å; V88-F127 PolarHBondContact N-O 2.94Å; V88-L128 HydrophobicContact CB-CD1 3.78Å; V88-L128 HydrophobicContact CG1-CD1 3.62Å; V88-L128 WeakPolarHBondContact O-CA 3.16Å; V88-L128 WeakPolarHBondContact O-CD1 3.33Å; V88-L129 PolarHBondContact O-N 3.46Å
89L93.8Very high92.5Very high0 Ų048.5 Ų48.50%023%0.234CC..EExtended strand (participates in β ladder)trans-115.9140.9175.6-42.1172.9000108.6V19 V20 D21 I22 L29 L30 M33 I87 L129V19-L89 HydrophobicContact CG1-CD1 3.74Å; V19-L89 HydrophobicContact CG1-CD2 4.49Å; V19-L89 HydrophobicContact CG1-CG 3.99Å; V20-L89 PolarHBondContact O-N 2.99Å; D21-L89 HydrophobicContact CB-CB 4.23Å; D21-L89 HydrophobicContact CB-CD1 4.21Å; I22-L89 PolarHBondContact N-O 3.26Å; L29-L89 HydrophobicContact CD2-CB 3.75Å; L29-L89 HydrophobicContact CD2-CD1 3.57Å; L29-L89 HydrophobicContact CD2-CD2 4.47Å; L29-L89 HydrophobicContact CD2-CG 4.13Å; L29-L89 HydrophobicContact CG-CD1 3.77Å; L30-L89 HydrophobicContact CD2-CD1 4.16Å; M33-L89 HydrophobicContact SD-CD1 3.45Å; M33-L89 WeakPolarHBondContact SD-CD1 3.46Å; M33-L89 HydrophobicContact SD-CD2 4.25Å; M33-L89 HydrophobicContact SD-CG 4.43Å; I87-L89 HydrophobicContact CG2-CD2 3.65Å; I87-L89 HydrophobicContact CG2-CG 4.45Å; L89-L129 CarbonylContact C-O 3.54Å; L89-L129 WeakPolarHBondContact CA-O 3.44Å; L89-L129 HydrophobicContact CD2-CB 3.83Å; L89-L129 HydrophobicContact CD2-CD1 4.19Å; L89-L129 HydrophobicContact CD2-CD2 4.13Å; L89-L129 HydrophobicContact CD2-CG 4.27Å
90D92.9Very high92.6Very high3 Ų344.3 Ų44.32%0.01621%0.214CC..EExtended strand (participates in β ladder)trans-139.8120170.1-176.2-53.9000108.6G92 T93 F94 Y110 L129 I130 A131D90-G92 PolarHBondContact OD1-N 3.39Å; D90-T93 PolarHBondContact OD1-N 3.06Å; D90-T93 VanDerWaalsContact OD2-CB 3.27Å; D90-T93 WeakPolarHBondContact OD2-CB 3.45Å; D90-F94 PolarHBondContact OD1-N 2.92Å; D90-F94 VanDerWaalsContact OD1-N 3.11Å; D90-F94 PolarHBondContact OD2-N 2.93Å; D90-Y110 PolarHBondContact OD2-OH 3.22Å; D90-L129 PolarHBondContact N-O 2.9Å; D90-I130 HydrophobicContact CB-CB 4.4Å; D90-I130 HydrophobicContact CB-CD1 4.41Å; D90-I130 HydrophobicContact CB-CG1 4.19Å; D90-I130 WeakPolarHBondContact O-CA 3.27Å; D90-A131 PolarHBondContact O-N 3Å
91K90.6Very high92.7Very high118 Ų11842.7 Ų42.751%0.51324%0.237SC..EExtended strand (participates in β ladder)trans-117.676.5173.5-167.4-160.7177.6-1650110.5
92G89.2Confident92.9Very high20 Ų2045.7 Ų45.721%0.20625%0.253CS..SBendtrans92.6-1.7172.600000114.7D90 F94 D95 V96 A131D90-G92 PolarHBondContact OD1-N 3.39Å; G92-F94 VanDerWaalsContact C-N 3.32Å; G92-D95 WeakPolarHBondContact O-CB 3.48Å; G92-D95 PolarHBondContact O-N 3.17Å; G92-V96 PolarHBondContact O-N 3.43Å; G92-V96 VanDerWaalsContact O-N 3.12Å; G92-A131 PolarHBondContact N-O 3.23Å
93T93.4Very high92.9Very high27 Ų2744.6 Ų44.617%0.16625%0.253CS..Hα-helixtrans-66-41.1172.6-64.30000110I22 G23 I74 D90 D95 V96 I97I22-T93 HydrophobicContact CG2-CG2 3.89Å; I22-T93 PolarHBondContact O-OG1 2.73Å; G23-T93 VanDerWaalsContact CA-OG1 3.31Å; G23-T93 WeakPolarHBondContact CA-OG1 3.45Å; I74-T93 HydrophobicContact CG2-CG2 4.1Å; D90-T93 PolarHBondContact OD1-N 3.06Å; D90-T93 VanDerWaalsContact OD2-CB 3.27Å; D90-T93 WeakPolarHBondContact OD2-CB 3.45Å; T93-D95 VanDerWaalsContact C-N 3.29Å; T93-D95 PolarHBondContact O-N 3.33Å; T93-V96 WeakPolarHBondContact O-CB 3.42Å; T93-V96 PolarHBondContact O-N 2.93Å; T93-I97 WeakPolarHBondContact O-CG1 3.37Å; T93-I97 PolarHBondContact O-N 2.78Å
94F94.1Very high93Very high0 Ų050.6 Ų50.60%027%0.274CS..Hα-helixtrans-56.8-42.1171.3172.1-103.9000112.6D90 G92 V96 I97 Y98 V107 Y110 I130 C135 L140 L143D90-F94 PolarHBondContact OD1-N 2.92Å; D90-F94 VanDerWaalsContact OD1-N 3.11Å; D90-F94 PolarHBondContact OD2-N 2.93Å; G92-F94 VanDerWaalsContact C-N 3.32Å; F94-V96 VanDerWaalsContact C-N 3.3Å; F94-V96 PolarHBondContact O-N 2.82Å; F94-I97 CarbonylContact O-C 3.53Å; F94-I97 WeakPolarHBondContact O-CB 3.32Å; F94-I97 PolarHBondContact O-N 3.26Å; F94-I97 VanDerWaalsContact O-N 3.12Å; F94-Y98 HydrophobicContact CE1-CD2 4.28Å; F94-Y98 HydrophobicContact CE1-CG 4.45Å; F94-Y98 HydrophobicContact CE2-CD2 4.46Å; F94-Y98 AromaticContact CZ-CD2 3.78Å; F94-Y98 HydrophobicContact CZ-CD2 3.78Å; F94-Y98 HydrophobicContact CZ-CG 4.33Å; F94-Y98 WeakPolarHBondContact O-CB 3.37Å; F94-Y98 PolarHBondContact O-N 2.99Å; F94-V107 HydrophobicContact CE2-CG1 4.12Å; F94-Y110 HydrophobicContact CB-CE1 3.99Å; F94-Y110 AromaticContact CD2-CD1 3.63Å; F94-Y110 HydrophobicContact CD2-CD1 3.63Å; F94-Y110 AromaticContact CD2-CE1 3.38Å; F94-Y110 HydrophobicContact CD2-CE1 3.38Å; F94-Y110 HydrophobicContact CE2-CD1 4.26Å; F94-Y110 HydrophobicContact CE2-CE1 4.27Å; F94-Y110 HydrophobicContact CG-CE1 4.08Å; F94-I130 HydrophobicContact CB-CD1 3.52Å; F94-I130 HydrophobicContact CB-CG1 4.3Å; F94-I130 HydrophobicContact CD1-CD1 4.02Å; F94-I130 HydrophobicContact CD2-CD1 4.27Å; F94-I130 HydrophobicContact CG-CD1 3.66Å; F94-C135 HydrophobicContact CE1-CB 3.98Å; F94-L140 HydrophobicContact CD1-CD2 3.91Å; F94-L140 HydrophobicContact CE1-CD2 3.5Å; F94-L140 VanDerWaalsContact CE1-CD2 3.5Å; F94-L140 HydrophobicContact CZ-CD2 3.87Å; F94-L143 HydrophobicContact CE2-CD1 4.04Å; F94-L143 HydrophobicContact CZ-CD1 3.73Å
95D93.5Very high93.1Very high15 Ų1553 Ų538%0.0829%0.286CS..Hα-helixtrans-61.8-41.4178.6-73-41.9000111.3G92 T93 I97 Y98 M99 S132 C133 N134G92-D95 WeakPolarHBondContact O-CB 3.48Å; G92-D95 PolarHBondContact O-N 3.17Å; T93-D95 VanDerWaalsContact C-N 3.29Å; T93-D95 PolarHBondContact O-N 3.33Å; D95-I97 VanDerWaalsContact C-N 3.32Å; D95-I97 PolarHBondContact O-N 2.8Å; D95-Y98 PolarHBondContact O-N 2.9Å; D95-M99 HydrophobicContact CB-CE 4.41Å; D95-M99 WeakPolarHBondContact O-CE 3.3Å; D95-M99 WeakPolarHBondContact O-CG 3.43Å; D95-M99 PolarHBondContact O-N 2.77Å; D95-S132 WeakPolarHBondContact OD1-CA 3.47Å; D95-S132 WeakPolarHBondContact OD1-CB 3.42Å; D95-S132 PolarHBondContact OD1-OG 3.12Å; D95-S132 VanDerWaalsContact OD2-CA 3.28Å; D95-S132 WeakPolarHBondContact OD2-CA 3.39Å; D95-C133 PolarHBondContact OD1-N 3.19Å; D95-C133 VanDerWaalsContact OD1-N 3.16Å; D95-C133 PolarHBondContact OD2-N 2.8Å; D95-N134 WeakPolarHBondContact CB-ND2 3.45Å; D95-N134 WeakPolarHBondContact OD1-CB 3.46Å; D95-N134 PolarHBondContact OD1-N 2.66Å; D95-N134 VanDerWaalsContact OD1-N 3.16Å; D95-N134 PolarHBondContact OD1-ND2 3.11Å
96V93.6Very high93.2Very high91 Ų9152.9 Ų52.955%0.55229%0.286SS*.Hα-helixtrans-59.8-44.3174.1174.50000110.5G92 T93 F94 R100G92-V96 PolarHBondContact O-N 3.43Å; G92-V96 VanDerWaalsContact O-N 3.12Å; T93-V96 WeakPolarHBondContact O-CB 3.42Å; T93-V96 PolarHBondContact O-N 2.93Å; F94-V96 VanDerWaalsContact C-N 3.3Å; F94-V96 PolarHBondContact O-N 2.82Å; V96-R100 WeakPolarHBondContact O-CG 3.1Å
97I94.4Very high93.4Very high4 Ų452.9 Ų52.92%0.02129%0.287CS..Hα-helixtrans-63.2-45.4176.1-62.8-57.3000111.5L75 T93 F94 D95 M99 R100 V107 Y110L75-I97 HydrophobicContact CD1-CD1 3.96Å; L75-I97 HydrophobicContact CD2-CD1 4.08Å; L75-I97 HydrophobicContact CD2-CG2 4.37Å; L75-I97 HydrophobicContact CG-CD1 3.88Å; T93-I97 WeakPolarHBondContact O-CG1 3.37Å; T93-I97 PolarHBondContact O-N 2.78Å; F94-I97 CarbonylContact O-C 3.53Å; F94-I97 WeakPolarHBondContact O-CB 3.32Å; F94-I97 PolarHBondContact O-N 3.26Å; F94-I97 VanDerWaalsContact O-N 3.12Å; D95-I97 VanDerWaalsContact C-N 3.32Å; D95-I97 PolarHBondContact O-N 2.8Å; I97-M99 VanDerWaalsContact C-N 3.26Å; I97-M99 PolarHBondContact O-N 3.37Å; I97-R100 WeakPolarHBondContact O-CB 3.48Å; I97-R100 WeakPolarHBondContact O-CG 3.01Å; I97-R100 PolarHBondContact O-N 2.96Å; I97-R100 VanDerWaalsContact O-N 3.16Å; I97-V107 HydrophobicContact CG2-CG2 4.14Å; I97-Y110 HydrophobicContact CG1-CD2 4.12Å; I97-Y110 HydrophobicContact CG1-CG 4.45Å; I97-Y110 HydrophobicContact CG2-CG 4.4Å
98Y93.6Very high93.6Very high90 Ų9056.4 Ų56.435%0.35331%0.31SS..Hα-helixtrans-63.2-32.6-177.2-170.6-95000112.6F94 D95 R100 S103 V107 N134 C135F94-Y98 HydrophobicContact CE1-CD2 4.28Å; F94-Y98 HydrophobicContact CE1-CG 4.45Å; F94-Y98 HydrophobicContact CE2-CD2 4.46Å; F94-Y98 AromaticContact CZ-CD2 3.78Å; F94-Y98 HydrophobicContact CZ-CD2 3.78Å; F94-Y98 HydrophobicContact CZ-CG 4.33Å; F94-Y98 WeakPolarHBondContact O-CB 3.37Å; F94-Y98 PolarHBondContact O-N 2.99Å; D95-Y98 PolarHBondContact O-N 2.9Å; Y98-R100 VanDerWaalsContact C-N 3.35Å; Y98-S103 VanDerWaalsContact O-CB 3.24Å; Y98-S103 WeakPolarHBondContact O-CB 3.37Å; Y98-V107 HydrophobicContact CD2-CG2 3.88Å; Y98-N134 HydrophobicContact CD1-CB 3.59Å; Y98-N134 HydrophobicContact CE1-CB 3.97Å; Y98-N134 HydrophobicContact CG-CB 4.36Å; Y98-C135 WeakPolarHBondContact CE2-SG 3.29Å
99M94.2Very high93.6Very high125 Ų12559.7 Ų59.762%0.61633%0.326SS*.THydrogen-bonded Turntrans-84-2.8178.6-69.3-174.2-66.800114.5D95 I97 N134D95-M99 HydrophobicContact CB-CE 4.41Å; D95-M99 WeakPolarHBondContact O-CE 3.3Å; D95-M99 WeakPolarHBondContact O-CG 3.43Å; D95-M99 PolarHBondContact O-N 2.77Å; I97-M99 VanDerWaalsContact C-N 3.26Å; I97-M99 PolarHBondContact O-N 3.37Å; M99-N134 WeakPolarHBondContact CG-ND2 3.34Å
100R93.4Very high93.6Very high94 Ų9459.7 Ų59.736%0.35533%0.326SS..SBendtrans-65.8149.2176.6-63171.861.5107.10.2110.4D73 V96 I97 Y98 D102 S103D73-R100 IonicContact OD2-NH1 3.82Å; V96-R100 WeakPolarHBondContact O-CG 3.1Å; I97-R100 WeakPolarHBondContact O-CB 3.48Å; I97-R100 WeakPolarHBondContact O-CG 3.01Å; I97-R100 PolarHBondContact O-N 2.96Å; I97-R100 VanDerWaalsContact O-N 3.16Å; Y98-R100 VanDerWaalsContact C-N 3.35Å; R100-D102 WeakPolarHBondContact CB-OD1 3.48Å; R100-D102 IonicContact CZ-OD1 3.88Å; R100-D102 IonicContact CZ-OD2 3.89Å; R100-D102 IonicContact NE-OD1 2.93Å; R100-D102 PolarHBondContact NE-OD1 2.84Å; R100-D102 IonicContact NE-OD2 3.63Å; R100-D102 IonicContact NH2-OD1 3.9Å; R100-D102 IonicContact NH2-OD2 3.21Å; R100-D102 PolarHBondContact NH2-OD2 3.43Å; R100-D102 PolarHBondContact O-N 3.35Å; R100-D102 VanDerWaalsContact O-N 3.07Å; R100-S103 WeakPolarHBondContact O-CB 3.24Å; R100-S103 PolarHBondContact O-N 3.29Å; R100-S103 VanDerWaalsContact O-N 3.13Å
101G94.4Very high93.6Very high96 Ų9660.2 Ų60.299%0.9933%0.33SS*.THydrogen-bonded Turntrans-63.7-11.9174.600000114.4
102D95.5Very high93.7Very high66 Ų6660.7 Ų60.735%0.35333%0.332SS..THydrogen-bonded Turntrans-10922.8177.366.4-0.6000113R100 E104 H105 S106R100-D102 WeakPolarHBondContact CB-OD1 3.48Å; R100-D102 IonicContact CZ-OD1 3.88Å; R100-D102 IonicContact CZ-OD2 3.89Å; R100-D102 IonicContact NE-OD1 2.93Å; R100-D102 PolarHBondContact NE-OD1 2.84Å; R100-D102 IonicContact NE-OD2 3.63Å; R100-D102 IonicContact NH2-OD1 3.9Å; R100-D102 IonicContact NH2-OD2 3.21Å; R100-D102 PolarHBondContact NH2-OD2 3.43Å; R100-D102 PolarHBondContact O-N 3.35Å; R100-D102 VanDerWaalsContact O-N 3.07Å; D102-E104 PolarHBondContact O-N 3.23Å; D102-E104 VanDerWaalsContact O-N 3.11Å; D102-H105 WeakPolarHBondContact O-CA 3.4Å; D102-H105 PolarHBondContact O-N 2.93Å; D102-S106 PolarHBondContact O-N 2.94Å; D102-S106 PolarHBondContact O-OG 2.9Å; D102-S106 VanDerWaalsContact O-OG 3.12Å; D102-S106 WeakPolarHBondContact OD1-CB 3.42Å; D102-S106 PolarHBondContact OD1-OG 3.31Å
103S93.8Very high93.9Very high41 Ų4159.9 Ų59.929%0.28732%0.323SS..Hα-helixtrans-53.2-34.2-172.360.60000114.5Y98 R100 H105 S106 V107Y98-S103 VanDerWaalsContact O-CB 3.24Å; Y98-S103 WeakPolarHBondContact O-CB 3.37Å; R100-S103 WeakPolarHBondContact O-CB 3.24Å; R100-S103 PolarHBondContact O-N 3.29Å; R100-S103 VanDerWaalsContact O-N 3.13Å; S103-H105 PolarHBondContact O-N 2.77Å; S103-H105 VanDerWaalsContact O-N 3.12Å; S103-S106 VanDerWaalsContact CA-OG 3.3Å; S103-S106 WeakPolarHBondContact CA-OG 3.45Å; S103-S106 PolarHBondContact O-N 2.83Å; S103-V107 VanDerWaalsContact O-CB 3.22Å; S103-V107 WeakPolarHBondContact O-CB 3.29Å; S103-V107 WeakPolarHBondContact O-CG2 3.42Å; S103-V107 PolarHBondContact O-N 2.98Å
104E93.8Very high93.9Very high166 Ų16658.6 Ų58.678%0.77632%0.315SS*.Hα-helixtrans-56.6-27.4173.7-65.2-174.5168.800113.3D102 P108D102-E104 PolarHBondContact O-N 3.23Å; D102-E104 VanDerWaalsContact O-N 3.11Å; E104-P108 WeakPolarHBondContact O-CD 3.26Å; E104-P108 WeakPolarHBondContact O-CG 3.39Å
105H95.1Very high93.7Very high143 Ų14361 Ų6166%0.66233%0.328SS*.Hα-helixtrans-103.5-42.5177.8-64.181.3000112.1D102 S103 P108 L109D102-H105 WeakPolarHBondContact O-CA 3.4Å; D102-H105 PolarHBondContact O-N 2.93Å; S103-H105 PolarHBondContact O-N 2.77Å; S103-H105 VanDerWaalsContact O-N 3.12Å; H105-P108 WeakPolarHBondContact O-CD 3.36Å; H105-L109 WeakPolarHBondContact O-CB 3.13Å; H105-L109 PolarHBondContact O-N 3.48Å
106S95.4Very high93.7Very high3 Ų364.3 Ų64.32%0.02134%0.339CS..Hα-helixtrans-74.6-32.5-174.355.50000112.7L75 D102 S103 L109 Y110L75-S106 VanDerWaalsContact CD2-O 3.24Å; L75-S106 WeakPolarHBondContact CD2-O 3.49Å; D102-S106 PolarHBondContact O-N 2.94Å; D102-S106 PolarHBondContact O-OG 2.9Å; D102-S106 VanDerWaalsContact O-OG 3.12Å; D102-S106 WeakPolarHBondContact OD1-CB 3.42Å; D102-S106 PolarHBondContact OD1-OG 3.31Å; S103-S106 VanDerWaalsContact CA-OG 3.3Å; S103-S106 WeakPolarHBondContact CA-OG 3.45Å; S103-S106 PolarHBondContact O-N 2.83Å; S106-L109 PolarHBondContact O-N 3.33Å; S106-Y110 VanDerWaalsContact O-CB 3.3Å; S106-Y110 WeakPolarHBondContact O-CB 3.5Å; S106-Y110 PolarHBondContact O-N 3.43Å
107V94.4Very high93.6Very high9 Ų960 Ų606%0.05531%0.313CS..Hα-helixtrans-65.8-51.5175.7170.20000112F94 I97 Y98 S103 L109 Y110 V111 L143F94-V107 HydrophobicContact CE2-CG1 4.12Å; I97-V107 HydrophobicContact CG2-CG2 4.14Å; Y98-V107 HydrophobicContact CD2-CG2 3.88Å; S103-V107 VanDerWaalsContact O-CB 3.22Å; S103-V107 WeakPolarHBondContact O-CB 3.29Å; S103-V107 WeakPolarHBondContact O-CG2 3.42Å; S103-V107 PolarHBondContact O-N 2.98Å; V107-L109 VanDerWaalsContact C-N 3.26Å; V107-L109 PolarHBondContact O-N 3.13Å; V107-Y110 WeakPolarHBondContact O-CB 3.35Å; V107-Y110 PolarHBondContact O-N 2.95Å; V107-V111 HydrophobicContact CG1-CG2 4.49Å; V107-V111 WeakPolarHBondContact O-CG2 3.15Å; V107-V111 PolarHBondContact O-N 2.57Å; V107-L143 HydrophobicContact CG1-CD1 4.14Å; V107-L143 HydrophobicContact CG1-CD2 3.97Å
108P93.2Very high93.5Very high74 Ų7460 Ų6048%0.48131%0.312SS..Hα-helixtrans-59-37.1175.1-26.735.6000113.4E104 H105 K112E104-P108 WeakPolarHBondContact O-CD 3.26Å; E104-P108 WeakPolarHBondContact O-CG 3.39Å; H105-P108 WeakPolarHBondContact O-CD 3.36Å; P108-K112 WeakPolarHBondContact O-CB 3.41Å; P108-K112 PolarHBondContact O-N 3.08Å
109L93.7Very high93.3Very high68 Ų6860 Ų6036%0.35631%0.312SS..Hα-helixtrans-67.4-43177.2-179.357.9000112L75 H105 S106 V107 K112 N113L75-L109 HydrophobicContact CB-CD2 4.04Å; L75-L109 HydrophobicContact CB-CG 4.44Å; L75-L109 HydrophobicContact CD2-CB 4.21Å; L75-L109 HydrophobicContact CD2-CD2 4.3Å; L75-L109 HydrophobicContact CD2-CG 4.14Å; H105-L109 WeakPolarHBondContact O-CB 3.13Å; H105-L109 PolarHBondContact O-N 3.48Å; S106-L109 PolarHBondContact O-N 3.33Å; V107-L109 VanDerWaalsContact C-N 3.26Å; V107-L109 PolarHBondContact O-N 3.13Å; L109-K112 PolarHBondContact O-N 2.88Å; L109-N113 WeakPolarHBondContact O-CB 3.2Å; L109-N113 PolarHBondContact O-N 2.85Å
110Y94.5Very high92.5Very high0 Ų059.5 Ų59.50%032%0.316CS..Hα-helixtrans-56.7-52.9172.3165.4-95.9000111.1I74 D90 F94 I97 S106 V107 K112 N113 V114 I130 F144I74-Y110 HydrophobicContact CG1-CD2 4.22Å; I74-Y110 HydrophobicContact CG1-CE2 4.32Å; I74-Y110 HydrophobicContact CG2-CD2 3.54Å; I74-Y110 HydrophobicContact CG2-CE2 3.92Å; D90-Y110 PolarHBondContact OD2-OH 3.22Å; F94-Y110 HydrophobicContact CB-CE1 3.99Å; F94-Y110 AromaticContact CD2-CD1 3.63Å; F94-Y110 HydrophobicContact CD2-CD1 3.63Å; F94-Y110 AromaticContact CD2-CE1 3.38Å; F94-Y110 HydrophobicContact CD2-CE1 3.38Å; F94-Y110 HydrophobicContact CE2-CD1 4.26Å; F94-Y110 HydrophobicContact CE2-CE1 4.27Å; F94-Y110 HydrophobicContact CG-CE1 4.08Å; I97-Y110 HydrophobicContact CG1-CD2 4.12Å; I97-Y110 HydrophobicContact CG1-CG 4.45Å; I97-Y110 HydrophobicContact CG2-CG 4.4Å; S106-Y110 VanDerWaalsContact O-CB 3.3Å; S106-Y110 WeakPolarHBondContact O-CB 3.5Å; S106-Y110 PolarHBondContact O-N 3.43Å; V107-Y110 WeakPolarHBondContact O-CB 3.35Å; V107-Y110 PolarHBondContact O-N 2.95Å; Y110-K112 VanDerWaalsContact C-N 3.32Å; Y110-K112 PolarHBondContact O-N 3.39Å; Y110-N113 PolarHBondContact O-N 3.49Å; Y110-N113 VanDerWaalsContact O-N 3.11Å; Y110-V114 HydrophobicContact CD1-CG2 4.45Å; Y110-V114 HydrophobicContact CD2-CG2 4.07Å; Y110-V114 HydrophobicContact CE1-CG2 4Å; Y110-V114 HydrophobicContact CE2-CG2 3.54Å; Y110-V114 HydrophobicContact CG-CG2 4.48Å; Y110-V114 VanDerWaalsContact CZ-CG2 3.49Å; Y110-V114 WeakPolarHBondContact O-CG2 3.45Å; Y110-V114 PolarHBondContact O-N 3.04Å; Y110-I130 HydrophobicContact CE1-CD1 4.49Å; Y110-F144 HydrophobicContact CD1-CZ 4.46Å; Y110-F144 HydrophobicContact CE1-CE2 4.48Å; Y110-F144 AromaticContact CE1-CZ 3.75Å; Y110-F144 HydrophobicContact CE1-CZ 3.75Å
111V92.7Very high91.3Very high14 Ų1464.1 Ų64.19%0.08534%0.339CS..Hα-helixtrans-53.7-52.4178.1171.10000109.5V107 N113 V114 L115 L143 F144V107-V111 HydrophobicContact CG1-CG2 4.49Å; V107-V111 WeakPolarHBondContact O-CG2 3.15Å; V107-V111 PolarHBondContact O-N 2.57Å; V111-N113 VanDerWaalsContact C-N 3.31Å; V111-N113 PolarHBondContact O-N 3.49Å; V111-V114 PolarHBondContact O-N 3.21Å; V111-L115 HydrophobicContact CG1-CG 4.37Å; V111-L115 VanDerWaalsContact O-CG 3.24Å; V111-L115 WeakPolarHBondContact O-CG 3.47Å; V111-L115 PolarHBondContact O-N 3.48Å; V111-L143 HydrophobicContact CG2-CB 4.21Å; V111-F144 HydrophobicContact CB-CE1 4.37Å; V111-F144 HydrophobicContact CG1-CD1 3.93Å; V111-F144 HydrophobicContact CG1-CE1 4.08Å; V111-F144 HydrophobicContact CG1-CG 4.48Å; V111-F144 HydrophobicContact CG2-CE1 4.24Å; V111-F144 HydrophobicContact CG2-CE2 4.37Å; V111-F144 HydrophobicContact CG2-CZ 4.13Å
112K92Very high89.5Confident129 Ų12962.5 Ų62.556%0.56132%0.322SS*.Hα-helixtrans-55-43.8178.9-179.9-178.6179.1-179.80112.8P108 L109 Y110 L115 R116P108-K112 WeakPolarHBondContact O-CB 3.41Å; P108-K112 PolarHBondContact O-N 3.08Å; L109-K112 PolarHBondContact O-N 2.88Å; Y110-K112 VanDerWaalsContact C-N 3.32Å; Y110-K112 PolarHBondContact O-N 3.39Å; K112-L115 PolarHBondContact O-N 3.4Å; K112-R116 WeakPolarHBondContact O-CG 3.48Å; K112-R116 PolarHBondContact O-N 2.88Å; K112-R116 VanDerWaalsContact O-N 3.17Å
113N94.1Very high87.6Confident2 Ų263.7 Ų63.71%0.01135%0.35CS..Hα-helixtrans-72.4-39.3-179.2-73.9-15.5000112.3I74 L75 L77 L109 Y110 V111 L115 R116 L117I74-N113 WeakPolarHBondContact O-CB 3.31Å; I74-N113 PolarHBondContact O-ND2 3.41Å; L75-N113 WeakPolarHBondContact CA-ND2 3.24Å; L75-N113 PolarHBondContact O-ND2 2.85Å; L77-N113 HydrophobicContact CB-CB 4.06Å; L77-N113 HydrophobicContact CD2-CB 4.35Å; L109-N113 WeakPolarHBondContact O-CB 3.2Å; L109-N113 PolarHBondContact O-N 2.85Å; Y110-N113 PolarHBondContact O-N 3.49Å; Y110-N113 VanDerWaalsContact O-N 3.11Å; V111-N113 VanDerWaalsContact C-N 3.31Å; V111-N113 PolarHBondContact O-N 3.49Å; N113-L115 VanDerWaalsContact C-N 3.27Å; N113-L115 PolarHBondContact O-N 3.29Å; N113-R116 WeakPolarHBondContact O-CB 3.27Å; N113-R116 PolarHBondContact O-N 3.21Å; N113-R116 VanDerWaalsContact O-N 3.1Å; N113-R116 PolarHBondContact OD1-NH1 3.08Å; N113-L117 PolarHBondContact O-N 3.09Å
114V92.5Very high86.1Confident0 Ų067 Ų670%036%0.361CS..Hα-helixtrans-58.9-42171.6170.70000110.9I22 I74 V88 Y110 V111 R116 L117 F118 L128 F144I22-V114 HydrophobicContact CD1-CG2 3.69Å; I74-V114 HydrophobicContact CG1-CG2 4.44Å; V88-V114 HydrophobicContact CG1-CG1 4.16Å; Y110-V114 HydrophobicContact CD1-CG2 4.45Å; Y110-V114 HydrophobicContact CD2-CG2 4.07Å; Y110-V114 HydrophobicContact CE1-CG2 4Å; Y110-V114 HydrophobicContact CE2-CG2 3.54Å; Y110-V114 HydrophobicContact CG-CG2 4.48Å; Y110-V114 VanDerWaalsContact CZ-CG2 3.49Å; Y110-V114 WeakPolarHBondContact O-CG2 3.45Å; Y110-V114 PolarHBondContact O-N 3.04Å; V111-V114 PolarHBondContact O-N 3.21Å; V114-R116 VanDerWaalsContact C-N 3.26Å; V114-R116 PolarHBondContact O-N 3.12Å; V114-L117 WeakPolarHBondContact O-CB 3.49Å; V114-L117 PolarHBondContact O-N 2.82Å; V114-L117 VanDerWaalsContact O-N 3.17Å; V114-F118 HydrophobicContact CG1-CE2 4.24Å; V114-F118 WeakPolarHBondContact O-CD2 3.22Å; V114-L128 HydrophobicContact CG1-CD1 4.17Å; V114-L128 HydrophobicContact CG1-CD2 4.03Å; V114-F144 HydrophobicContact CB-CE1 4.12Å; V114-F144 HydrophobicContact CG1-CE1 3.84Å; V114-F144 HydrophobicContact CG1-CZ 4.43Å
115L90.7Very high84.9Confident51 Ų5165.3 Ų65.327%0.26735%0.348SS..Hα-helixtrans-62.7-34.1176.8-58.7-157.7000112.8V111 K112 N113 L117 F118 F144 I149V111-L115 HydrophobicContact CG1-CG 4.37Å; V111-L115 VanDerWaalsContact O-CG 3.24Å; V111-L115 WeakPolarHBondContact O-CG 3.47Å; V111-L115 PolarHBondContact O-N 3.48Å; K112-L115 PolarHBondContact O-N 3.4Å; N113-L115 VanDerWaalsContact C-N 3.27Å; N113-L115 PolarHBondContact O-N 3.29Å; L115-L117 VanDerWaalsContact C-N 3.31Å; L115-L117 PolarHBondContact O-N 2.75Å; L115-F118 PolarHBondContact O-N 3.08Å; L115-F144 HydrophobicContact CD2-CD1 3.68Å; L115-F144 HydrophobicContact CD2-CE1 4.11Å; L115-I149 HydrophobicContact CB-CD1 4.26Å; L115-I149 HydrophobicContact CD1-CD1 3.78Å; L115-I149 HydrophobicContact CD2-CD1 3.17Å; L115-I149 HydrophobicContact CG-CD1 3.87Å
116R92.1Very high84.4Confident85 Ų8562.7 Ų62.732%0.32133%0.332SS..Hα-helixtrans-72.9-19.9178.2-73.6166.165.7-160.47.1113.5L77 E82 A83 K112 N113 V114 F118L77-R116 HydrophobicContact CD2-CB 3.74Å; E82-R116 CarbonylContact C-O 3.55Å; E82-R116 WeakPolarHBondContact CA-O 3.48Å; E82-R116 HydrophobicContact CG-CB 4.43Å; E82-R116 IonicContact OE1-CZ 2.94Å; E82-R116 IonicContact OE1-NE 2.61Å; E82-R116 IonicContact OE1-NH2 3.65Å; E82-R116 PolarHBondContact OE1-NH2 3.15Å; E82-R116 IonicContact OE2-CZ 3.22Å; E82-R116 IonicContact OE2-NE 2.78Å; E82-R116 PolarHBondContact OE2-NE 3.49Å; E82-R116 IonicContact OE2-NH2 2.77Å; E82-R116 PolarHBondContact OE2-NH2 2.89Å; E82-R116 VanDerWaalsContact OE2-NH2 3.12Å; A83-R116 PolarHBondContact N-O 3.04Å; K112-R116 WeakPolarHBondContact O-CG 3.48Å; K112-R116 PolarHBondContact O-N 2.88Å; K112-R116 VanDerWaalsContact O-N 3.17Å; N113-R116 WeakPolarHBondContact O-CB 3.27Å; N113-R116 PolarHBondContact O-N 3.21Å; N113-R116 VanDerWaalsContact O-N 3.1Å; N113-R116 PolarHBondContact OD1-NH1 3.08Å; V114-R116 VanDerWaalsContact C-N 3.26Å; V114-R116 PolarHBondContact O-N 3.12Å; R116-F118 VanDerWaalsContact C-N 3.28Å; R116-F118 PolarHBondContact O-N 3.02Å
117L92.9Very high84Confident0 Ų063 Ų630%033%0.334CS..Hα-helixtrans-65.9-34174.4-70.9173.4000112V20 I22 I74 L77 L81 K84 F85 V88 N113 V114 L115V20-L117 HydrophobicContact CG1-CD1 4.19Å; I22-L117 HydrophobicContact CD1-CD1 3.72Å; I22-L117 HydrophobicContact CG1-CD1 4.2Å; I74-L117 HydrophobicContact CD1-CD1 4.13Å; L77-L117 HydrophobicContact CD1-CD2 3.53Å; L77-L117 HydrophobicContact CD1-CG 4.26Å; L77-L117 HydrophobicContact CD2-CD2 4.3Å; L77-L117 HydrophobicContact CD2-CG 4.49Å; L81-L117 HydrophobicContact CB-CD2 4.03Å; K84-L117 PolarHBondContact N-O 3Å; F85-L117 HydrophobicContact CD2-CB 4.07Å; F85-L117 HydrophobicContact CD2-CD2 3.98Å; F85-L117 HydrophobicContact CE2-CD2 3.93Å; F85-L117 PolarHBondContact N-O 2.96Å; V88-L117 HydrophobicContact CG1-CD1 4.18Å; V88-L117 HydrophobicContact CG2-CB 4.02Å; V88-L117 HydrophobicContact CG2-CD1 4.15Å; N113-L117 PolarHBondContact O-N 3.09Å; V114-L117 WeakPolarHBondContact O-CB 3.49Å; V114-L117 PolarHBondContact O-N 2.82Å; V114-L117 VanDerWaalsContact O-N 3.17Å; L115-L117 VanDerWaalsContact C-N 3.31Å; L115-L117 PolarHBondContact O-N 2.75Å
118F91.5Very high83.7Confident3 Ų362.7 Ų62.71%0.01333%0.331CS..BIsolated β-bridgetrans-69.7135-175.1-72.2-68.7000112.7A83 F85 V88 V114 L115 R116 T120 R126 F127 L128A83-F118 WeakPolarHBondContact CA-O 3.48Å; F85-F118 CarbonylContact O-C 3.59Å; F85-F118 WeakPolarHBondContact O-CA 3.4Å; V88-F118 HydrophobicContact CB-CE1 4.1Å; V88-F118 HydrophobicContact CB-CE2 4.37Å; V88-F118 HydrophobicContact CB-CZ 3.7Å; V88-F118 HydrophobicContact CG2-CD1 4.08Å; V88-F118 HydrophobicContact CG2-CD2 4.39Å; V88-F118 HydrophobicContact CG2-CE1 3.54Å; V88-F118 HydrophobicContact CG2-CE2 3.89Å; V88-F118 HydrophobicContact CG2-CG 4.48Å; V88-F118 HydrophobicContact CG2-CZ 3.43Å; V88-F118 VanDerWaalsContact CG2-CZ 3.43Å; V114-F118 HydrophobicContact CG1-CE2 4.24Å; V114-F118 WeakPolarHBondContact O-CD2 3.22Å; L115-F118 PolarHBondContact O-N 3.08Å; R116-F118 VanDerWaalsContact C-N 3.28Å; R116-F118 PolarHBondContact O-N 3.02Å; F118-T120 PolarHBondContact O-N 2.93Å; F118-R126 HydrophobicContact CB-CG 4.24Å; F118-R126 HydrophobicContact CD1-CB 3.76Å; F118-R126 HydrophobicContact CD1-CG 3.91Å; F118-R126 HydrophobicContact CE1-CB 4Å; F118-R126 HydrophobicContact CG-CB 4.24Å; F118-R126 HydrophobicContact CG-CG 4.24Å; F118-F127 VanDerWaalsContact CE1-O 3.31Å; F118-F127 WeakPolarHBondContact CE1-O 3.38Å; F118-F127 WeakPolarHBondContact CZ-O 3.49Å; F118-L128 HydrophobicContact CZ-CB 4.04Å
119R88.5Confident83.6Confident92 Ų9260.5 Ų60.535%0.34732%0.315SS..  trans-51.8134.2167.9-81.4163166.3-174.3-3.6110.7Q18 A83 K84 F85 D86Q18-R119 VanDerWaalsContact CG-CZ 3.4Å; A83-R119 WeakPolarHBondContact O-CG 3.43Å; K84-R119 WeakPolarHBondContact O-CD 3.35Å; K84-R119 PolarHBondContact O-NE 3.02Å; F85-R119 PolarHBondContact O-N 2.98Å; D86-R119 WeakPolarHBondContact OD1-CD 3.49Å; D86-R119 IonicContact OD1-NE 3.97Å; D86-R119 IonicContact OD1-NH1 3.21Å; D86-R119 PolarHBondContact OD1-NH1 3.19Å; D86-R119 IonicContact OD2-CZ 3.95Å; D86-R119 IonicContact OD2-NH1 3.02Å; D86-R119 PolarHBondContact OD2-NH1 3.37Å
120T77.7Confident83.4Confident114 Ų11457.3 Ų57.370%0.69930%0.299SS*.  trans-95.2-14.8-178.654.40000113.3A83 F118A83-T120 HydrophobicContact CB-CG2 4.36Å; F118-T120 PolarHBondContact O-N 2.93Å
121K68Low83.1Confident190 Ų19058.2 Ų58.283%0.82631%0.306SS*.SBendtrans-111.1130.9-176.6-65.3-176.2179.3-179.40110.8
122G56.8Low82.9Confident62 Ų6258.1 Ų58.164%0.63931%0.306SS*.SBendtrans115.9143.9173.800000113Q124G122-Q124 PolarHBondContact O-N 2.84Å
123G57.3Low82.8Confident91 Ų9156.9 Ų56.994%0.93831%0.313SS*.SBendtrans-73.925.8176.800000114.3
124Q61.7Low82.5Confident110 Ų11059.6 Ų59.651%0.51433%0.327SS..  trans-89.8150.4-175.9-66.7-172.376.700111.1G122G122-Q124 PolarHBondContact O-N 2.84Å
125Y69Low82.3Confident132 Ų13260 Ų6052%0.51833%0.33SS..  trans-66.8138.3176.1-60.8-82.9000110.8F127Y125-F127 HydrophobicContact CG-CE2 4.27Å; Y125-F127 HydrophobicContact CG-CZ 4Å
126R83.3Confident82.2Confident87 Ų8761.3 Ų61.333%0.32834%0.34SS..  trans-108.8119.6174.5-71.7174.6-81.5162.13.6107.6D86 F118 N148D86-R126 WeakPolarHBondContact O-CA 3.49Å; F118-R126 HydrophobicContact CB-CG 4.24Å; F118-R126 HydrophobicContact CD1-CB 3.76Å; F118-R126 HydrophobicContact CD1-CG 3.91Å; F118-R126 HydrophobicContact CE1-CB 4Å; F118-R126 HydrophobicContact CG-CB 4.24Å; F118-R126 HydrophobicContact CG-CG 4.24Å; R126-N148 PolarHBondContact NH2-O 3.12Å
127F86.9Confident81.9Confident11 Ų1161.4 Ų61.45%0.04834%0.344CS..EExtended strand (participates in β ladder)trans-112125.1-175.8-62.7-84.3000110.2I13 D86 I87 V88 F118 Y125 L129 L152I13-F127 HydrophobicContact CD1-CD1 4.39Å; I13-F127 HydrophobicContact CD1-CD2 3.88Å; I13-F127 HydrophobicContact CD1-CE1 4.29Å; I13-F127 HydrophobicContact CD1-CE2 3.74Å; I13-F127 HydrophobicContact CD1-CG 4.19Å; I13-F127 HydrophobicContact CD1-CZ 3.97Å; I13-F127 HydrophobicContact CG1-CD2 4.22Å; I13-F127 HydrophobicContact CG1-CE2 3.62Å; I13-F127 HydrophobicContact CG1-CZ 3.85Å; D86-F127 PolarHBondContact O-N 3.42Å; I87-F127 CarbonylContact C-O 3.58Å; I87-F127 WeakPolarHBondContact CA-O 3.33Å; I87-F127 HydrophobicContact CG1-CB 4.39Å; I87-F127 HydrophobicContact CG1-CD2 4.33Å; I87-F127 HydrophobicContact CG2-CB 4.21Å; V88-F127 PolarHBondContact N-O 2.94Å; F118-F127 VanDerWaalsContact CE1-O 3.31Å; F118-F127 WeakPolarHBondContact CE1-O 3.38Å; F118-F127 WeakPolarHBondContact CZ-O 3.49Å; Y125-F127 HydrophobicContact CG-CE2 4.27Å; Y125-F127 HydrophobicContact CG-CZ 4Å; F127-L129 HydrophobicContact CB-CD1 3.95Å; F127-L152 HydrophobicContact CD1-CB 3.88Å; F127-L152 HydrophobicContact CE1-CB 3.7Å; F127-L152 HydrophobicContact CE1-CD2 3.83Å; F127-L152 HydrophobicContact CE1-CG 4.42Å
128L89.7Confident81.6Confident1 Ų169.6 Ų69.61%0.00538%0.38CS..EExtended strand (participates in β ladder)trans-107.5116.4163.217758.6000108.1V88 V114 F118 I130 F144 F151V88-L128 HydrophobicContact CB-CD1 3.78Å; V88-L128 HydrophobicContact CG1-CD1 3.62Å; V88-L128 WeakPolarHBondContact O-CA 3.16Å; V88-L128 WeakPolarHBondContact O-CD1 3.33Å; V114-L128 HydrophobicContact CG1-CD1 4.17Å; V114-L128 HydrophobicContact CG1-CD2 4.03Å; F118-L128 HydrophobicContact CZ-CB 4.04Å; L128-I130 HydrophobicContact CD1-CB 4.48Å; L128-I130 HydrophobicContact CD2-CB 4.38Å; L128-I130 HydrophobicContact CD2-CG2 4.3Å; L128-I130 HydrophobicContact CG-CB 4.19Å; L128-I130 HydrophobicContact CG-CG2 4.24Å; L128-F144 HydrophobicContact CD2-CD1 3.93Å; L128-F144 HydrophobicContact CD2-CD2 4.24Å; L128-F144 HydrophobicContact CD2-CE1 3.46Å; L128-F144 VanDerWaalsContact CD2-CE1 3.46Å; L128-F144 HydrophobicContact CD2-CE2 3.81Å; L128-F144 HydrophobicContact CD2-CG 4.3Å; L128-F144 HydrophobicContact CD2-CZ 3.38Å; L128-F151 HydrophobicContact CB-CE1 3.86Å; L128-F151 HydrophobicContact CB-CE2 4.24Å; L128-F151 HydrophobicContact CB-CZ 3.67Å; L128-F151 HydrophobicContact CD2-CE1 3.84Å; L128-F151 HydrophobicContact CD2-CE2 4.24Å; L128-F151 HydrophobicContact CD2-CZ 3.28Å; L128-F151 HydrophobicContact CG-CE1 4.04Å; L128-F151 HydrophobicContact CG-CZ 3.87Å
129L89.8Confident81.5Confident28 Ų2873.8 Ų73.815%0.14740%0.4CS..EExtended strand (participates in β ladder)trans-100.9105.4169-75.473.6000107.4L7 I87 V88 L89 D90 F127L7-L129 HydrophobicContact CD1-CD2 3.92Å; L7-L129 HydrophobicContact CD2-CD2 4.35Å; I87-L129 HydrophobicContact CG2-CD1 4.08Å; V88-L129 PolarHBondContact O-N 3.46Å; L89-L129 CarbonylContact C-O 3.54Å; L89-L129 WeakPolarHBondContact CA-O 3.44Å; L89-L129 HydrophobicContact CD2-CB 3.83Å; L89-L129 HydrophobicContact CD2-CD1 4.19Å; L89-L129 HydrophobicContact CD2-CD2 4.13Å; L89-L129 HydrophobicContact CD2-CG 4.27Å; D90-L129 PolarHBondContact N-O 2.9Å; F127-L129 HydrophobicContact CB-CD1 3.95Å
130I89.9Confident81.6Confident2 Ų269.5 Ų69.51%0.0138%0.383CS..EExtended strand (participates in β ladder)trans-117.5129.4179.8-179.8156.8000109.4D90 F94 Y110 L128 L140 F144 F151D90-I130 HydrophobicContact CB-CB 4.4Å; D90-I130 HydrophobicContact CB-CD1 4.41Å; D90-I130 HydrophobicContact CB-CG1 4.19Å; D90-I130 WeakPolarHBondContact O-CA 3.27Å; F94-I130 HydrophobicContact CB-CD1 3.52Å; F94-I130 HydrophobicContact CB-CG1 4.3Å; F94-I130 HydrophobicContact CD1-CD1 4.02Å; F94-I130 HydrophobicContact CD2-CD1 4.27Å; F94-I130 HydrophobicContact CG-CD1 3.66Å; Y110-I130 HydrophobicContact CE1-CD1 4.49Å; L128-I130 HydrophobicContact CD1-CB 4.48Å; L128-I130 HydrophobicContact CD2-CB 4.38Å; L128-I130 HydrophobicContact CD2-CG2 4.3Å; L128-I130 HydrophobicContact CG-CB 4.19Å; L128-I130 HydrophobicContact CG-CG2 4.24Å; I130-L140 HydrophobicContact CD1-CD2 3.98Å; I130-L140 HydrophobicContact CG1-CD2 4.41Å; I130-L140 HydrophobicContact CG2-CD1 4.15Å; I130-F144 HydrophobicContact CD1-CE2 4.18Å; I130-F144 HydrophobicContact CD1-CZ 4.47Å; I130-F151 HydrophobicContact CG2-CE1 4.33Å
131A87.5Confident82Confident19 Ų1967.7 Ų67.716%0.15736%0.364CS..EExtended strand (participates in β ladder)trans-108.4123.5169.100000108.5D90 G92D90-A131 PolarHBondContact O-N 3Å; G92-A131 PolarHBondContact N-O 3.23Å
132S89.1Confident82.9Confident12 Ų1262 Ų628%0.08435%0.348CS..  trans-133.7140.1178.41780000110.5D95 N134 C135D95-S132 WeakPolarHBondContact OD1-CA 3.47Å; D95-S132 WeakPolarHBondContact OD1-CB 3.42Å; D95-S132 PolarHBondContact OD1-OG 3.12Å; D95-S132 VanDerWaalsContact OD2-CA 3.28Å; D95-S132 WeakPolarHBondContact OD2-CA 3.39Å; S132-N134 PolarHBondContact OG-N 3.42Å; S132-C135 PolarHBondContact OG-N 2.78Å; S132-C135 VanDerWaalsContact OG-N 3.12Å
133C89Confident84.4Confident103 Ų10361.7 Ų61.770%0.69633%0.331SS*.SBendtrans-95.7-17.2167.464.20000113.1D95D95-C133 PolarHBondContact OD1-N 3.19Å; D95-C133 VanDerWaalsContact OD1-N 3.16Å; D95-C133 PolarHBondContact OD2-N 2.8Å
134N89.6Confident85.7Confident58 Ų5857.4 Ų57.431%0.3129%0.287SS..SBendtrans-98.6-11.3-174-65.9-45.8000114.7D95 Y98 M99 S132D95-N134 WeakPolarHBondContact CB-ND2 3.45Å; D95-N134 WeakPolarHBondContact OD1-CB 3.46Å; D95-N134 PolarHBondContact OD1-N 2.66Å; D95-N134 VanDerWaalsContact OD1-N 3.16Å; D95-N134 PolarHBondContact OD1-ND2 3.11Å; Y98-N134 HydrophobicContact CD1-CB 3.59Å; Y98-N134 HydrophobicContact CE1-CB 3.97Å; Y98-N134 HydrophobicContact CG-CB 4.36Å; M99-N134 WeakPolarHBondContact CG-ND2 3.34Å; S132-N134 PolarHBondContact OG-N 3.42Å
135C87.4Confident86.3Confident10 Ų1056 Ų567%0.06828%0.283CS..SBendtrans-129.9140.4176.2-70.90000111.6F94 Y98 S132 E139 L140F94-C135 HydrophobicContact CE1-CB 3.98Å; Y98-C135 WeakPolarHBondContact CE2-SG 3.29Å; S132-C135 PolarHBondContact OG-N 2.78Å; S132-C135 VanDerWaalsContact OG-N 3.12Å; C135-E139 HydrophobicContact CB-CB 4.14Å; C135-L140 HydrophobicContact CB-CD2 3.91Å; C135-L140 HydrophobicContact CB-CG 3.79Å
136T87.9Confident86.1Confident78 Ų7858.1 Ų58.148%0.47930%0.297SS..  trans-67.2159.8167.463.60000110.9K138 E139 L140T136-K138 PolarHBondContact O-N 3.12Å; T136-E139 WeakPolarHBondContact CB-OE2 3.37Å; T136-E139 WeakPolarHBondContact CG2-OE2 3.39Å; T136-E139 PolarHBondContact N-OE2 3.41Å; T136-E139 PolarHBondContact O-N 3.01Å; T136-E139 VanDerWaalsContact O-N 3.12Å; T136-E139 VanDerWaalsContact OG1-CD 3.24Å; T136-E139 VanDerWaalsContact OG1-CG 3.29Å; T136-E139 WeakPolarHBondContact OG1-CG 3.38Å; T136-E139 PolarHBondContact OG1-N 2.58Å; T136-E139 PolarHBondContact OG1-OE2 2.96Å; T136-L140 PolarHBondContact O-N 3.12Å
137E86.1Confident84.6Confident86 Ų8655.4 Ų55.440%0.40230%0.297SS..Hα-helixtrans-53.4-39.6172178.2-178.6174.300111.8L140 R141E137-L140 PolarHBondContact O-N 3.12Å; E137-R141 HydrophobicContact CG-CG 4.33Å; E137-R141 VanDerWaalsContact O-CB 3.29Å; E137-R141 WeakPolarHBondContact O-CB 3.3Å; E137-R141 VanDerWaalsContact O-CG 3.24Å; E137-R141 WeakPolarHBondContact O-CG 3.4Å; E137-R141 PolarHBondContact O-N 3.2Å; E137-R141 IonicContact OE1-CZ 3.12Å; E137-R141 IonicContact OE1-NE 3.58Å; E137-R141 PolarHBondContact OE1-NE 3.19Å; E137-R141 IonicContact OE1-NH2 2.96Å; E137-R141 PolarHBondContact OE1-NH2 3.21Å
138K87Confident82.7Confident173 Ų17362.6 Ų62.675%0.75234%0.335SS*.Hα-helixtrans-65.5-41.3-179.8-173-178.4177.2-174.60111.8T136 R141 S142T136-K138 PolarHBondContact O-N 3.12Å; K138-R141 PolarHBondContact O-N 2.75Å; K138-S142 WeakPolarHBondContact O-CB 3.24Å; K138-S142 PolarHBondContact O-N 2.93Å
139E90Very high80.8Confident91 Ų9163.1 Ų63.143%0.42534%0.338SS..Hα-helixtrans-67-46.7177-72.9159.2150.300111.2C135 T136 R141 S142 L143C135-E139 HydrophobicContact CB-CB 4.14Å; T136-E139 WeakPolarHBondContact CB-OE2 3.37Å; T136-E139 WeakPolarHBondContact CG2-OE2 3.39Å; T136-E139 PolarHBondContact N-OE2 3.41Å; T136-E139 PolarHBondContact O-N 3.01Å; T136-E139 VanDerWaalsContact O-N 3.12Å; T136-E139 VanDerWaalsContact OG1-CD 3.24Å; T136-E139 VanDerWaalsContact OG1-CG 3.29Å; T136-E139 WeakPolarHBondContact OG1-CG 3.38Å; T136-E139 PolarHBondContact OG1-N 2.58Å; T136-E139 PolarHBondContact OG1-OE2 2.96Å; E139-R141 VanDerWaalsContact C-N 3.32Å; E139-R141 PolarHBondContact O-N 3.19Å; E139-S142 WeakPolarHBondContact O-CB 3.35Å; E139-S142 PolarHBondContact O-N 2.82Å; E139-S142 VanDerWaalsContact O-N 3.08Å; E139-L143 WeakPolarHBondContact O-CG 3.07Å; E139-L143 PolarHBondContact O-N 3.13Å
140L89.3Confident78.8Confident1 Ų171.8 Ų71.81%0.00537%0.369CS..Hα-helixtrans-56.4-47.7173.7-70.6171.3000111F94 I130 C135 T136 E137 S142 L143 F144F94-L140 HydrophobicContact CD1-CD2 3.91Å; F94-L140 HydrophobicContact CE1-CD2 3.5Å; F94-L140 VanDerWaalsContact CE1-CD2 3.5Å; F94-L140 HydrophobicContact CZ-CD2 3.87Å; I130-L140 HydrophobicContact CD1-CD2 3.98Å; I130-L140 HydrophobicContact CG1-CD2 4.41Å; I130-L140 HydrophobicContact CG2-CD1 4.15Å; C135-L140 HydrophobicContact CB-CD2 3.91Å; C135-L140 HydrophobicContact CB-CG 3.79Å; T136-L140 PolarHBondContact O-N 3.12Å; E137-L140 PolarHBondContact O-N 3.12Å; L140-S142 VanDerWaalsContact C-N 3.32Å; L140-S142 PolarHBondContact O-N 3.12Å; L140-L143 PolarHBondContact O-N 3.11Å; L140-F144 VanDerWaalsContact O-CD2 3.32Å; L140-F144 WeakPolarHBondContact O-CD2 3.38Å; L140-F144 PolarHBondContact O-N 3.16Å; L140-F144 VanDerWaalsContact O-N 3.13Å
141R86Confident76.6Confident77 Ų7772.4 Ų72.429%0.29137%0.371SS..Hα-helixtrans-58.5-43.7174.8-78.2178.4-179.6-84.51.8111.8E137 K138 E139 L143 F144 L145E137-R141 HydrophobicContact CG-CG 4.33Å; E137-R141 VanDerWaalsContact O-CB 3.29Å; E137-R141 WeakPolarHBondContact O-CB 3.3Å; E137-R141 VanDerWaalsContact O-CG 3.24Å; E137-R141 WeakPolarHBondContact O-CG 3.4Å; E137-R141 PolarHBondContact O-N 3.2Å; E137-R141 IonicContact OE1-CZ 3.12Å; E137-R141 IonicContact OE1-NE 3.58Å; E137-R141 PolarHBondContact OE1-NE 3.19Å; E137-R141 IonicContact OE1-NH2 2.96Å; E137-R141 PolarHBondContact OE1-NH2 3.21Å; K138-R141 PolarHBondContact O-N 2.75Å; E139-R141 VanDerWaalsContact C-N 3.32Å; E139-R141 PolarHBondContact O-N 3.19Å; R141-L143 VanDerWaalsContact C-N 3.32Å; R141-L143 PolarHBondContact O-N 3.07Å; R141-F144 PolarHBondContact O-N 3.33Å; R141-L145 HydrophobicContact CB-CD1 3.85Å; R141-L145 HydrophobicContact CB-CG 4.36Å; R141-L145 HydrophobicContact CG-CD1 4.21Å; R141-L145 WeakPolarHBondContact O-CA 3.35Å; R141-L145 WeakPolarHBondContact O-CB 3.47Å; R141-L145 WeakPolarHBondContact O-CG 3.28Å; R141-L145 PolarHBondContact O-N 3.29Å
142S87.6Confident74.6Confident70 Ų7074.3 Ų74.349%0.4938%0.379SS..Hα-helixtrans-60-42.2177.9-169.30000112K138 E139 L140 F144 Q146K138-S142 WeakPolarHBondContact O-CB 3.24Å; K138-S142 PolarHBondContact O-N 2.93Å; E139-S142 WeakPolarHBondContact O-CB 3.35Å; E139-S142 PolarHBondContact O-N 2.82Å; E139-S142 VanDerWaalsContact O-N 3.08Å; L140-S142 VanDerWaalsContact C-N 3.32Å; L140-S142 PolarHBondContact O-N 3.12Å; S142-F144 PolarHBondContact O-N 3.02Å; S142-Q146 WeakPolarHBondContact O-CG 3.45Å
143L88Confident72.3Confident56 Ų5678.3 Ų78.329%0.29340%0.395SS..Hα-helixtrans-62.8-41.6178.5-70.2170000112.4F94 V107 V111 E139 L140 R141F94-L143 HydrophobicContact CE2-CD1 4.04Å; F94-L143 HydrophobicContact CZ-CD1 3.73Å; V107-L143 HydrophobicContact CG1-CD1 4.14Å; V107-L143 HydrophobicContact CG1-CD2 3.97Å; V111-L143 HydrophobicContact CG2-CB 4.21Å; E139-L143 WeakPolarHBondContact O-CG 3.07Å; E139-L143 PolarHBondContact O-N 3.13Å; L140-L143 PolarHBondContact O-N 3.11Å; R141-L143 VanDerWaalsContact C-N 3.32Å; R141-L143 PolarHBondContact O-N 3.07Å
144F84.7Confident70.2Confident1 Ų174.3 Ų74.30%0.00437%0.368CS..Hα-helixtrans-97-25-172.7-75.1-83.8000115.3Y110 V111 V114 L115 L128 I130 L140 R141 S142 Q146 F151Y110-F144 HydrophobicContact CD1-CZ 4.46Å; Y110-F144 HydrophobicContact CE1-CE2 4.48Å; Y110-F144 AromaticContact CE1-CZ 3.75Å; Y110-F144 HydrophobicContact CE1-CZ 3.75Å; V111-F144 HydrophobicContact CB-CE1 4.37Å; V111-F144 HydrophobicContact CG1-CD1 3.93Å; V111-F144 HydrophobicContact CG1-CE1 4.08Å; V111-F144 HydrophobicContact CG1-CG 4.48Å; V111-F144 HydrophobicContact CG2-CE1 4.24Å; V111-F144 HydrophobicContact CG2-CE2 4.37Å; V111-F144 HydrophobicContact CG2-CZ 4.13Å; V114-F144 HydrophobicContact CB-CE1 4.12Å; V114-F144 HydrophobicContact CG1-CE1 3.84Å; V114-F144 HydrophobicContact CG1-CZ 4.43Å; L115-F144 HydrophobicContact CD2-CD1 3.68Å; L115-F144 HydrophobicContact CD2-CE1 4.11Å; L128-F144 HydrophobicContact CD2-CD1 3.93Å; L128-F144 HydrophobicContact CD2-CD2 4.24Å; L128-F144 HydrophobicContact CD2-CE1 3.46Å; L128-F144 VanDerWaalsContact CD2-CE1 3.46Å; L128-F144 HydrophobicContact CD2-CE2 3.81Å; L128-F144 HydrophobicContact CD2-CG 4.3Å; L128-F144 HydrophobicContact CD2-CZ 3.38Å; I130-F144 HydrophobicContact CD1-CE2 4.18Å; I130-F144 HydrophobicContact CD1-CZ 4.47Å; L140-F144 VanDerWaalsContact O-CD2 3.32Å; L140-F144 WeakPolarHBondContact O-CD2 3.38Å; L140-F144 PolarHBondContact O-N 3.16Å; L140-F144 VanDerWaalsContact O-N 3.13Å; R141-F144 PolarHBondContact O-N 3.33Å; S142-F144 PolarHBondContact O-N 3.02Å; F144-Q146 VanDerWaalsContact C-N 3.32Å; F144-Q146 PolarHBondContact O-N 3.47Å; F144-F151 HydrophobicContact CB-CD2 4.05Å; F144-F151 HydrophobicContact CB-CE2 3.21Å; F144-F151 HydrophobicContact CB-CZ 3.43Å; F144-F151 VanDerWaalsContact CB-CZ 3.43Å; F144-F151 AromaticContact CD1-CE2 3.98Å; F144-F151 HydrophobicContact CD1-CE2 3.98Å; F144-F151 AromaticContact CD1-CZ 3.84Å; F144-F151 HydrophobicContact CD1-CZ 3.84Å; F144-F151 HydrophobicContact CD2-CE1 4.46Å; F144-F151 HydrophobicContact CD2-CE2 4.36Å; F144-F151 AromaticContact CD2-CZ 3.68Å; F144-F151 HydrophobicContact CD2-CZ 3.68Å; F144-F151 HydrophobicContact CE2-CZ 4.36Å; F144-F151 HydrophobicContact CG-CE1 4.5Å; F144-F151 AromaticContact CG-CE2 3.63Å; F144-F151 HydrophobicContact CG-CE2 3.63Å; F144-F151 AromaticContact CG-CZ 3.38Å; F144-F151 HydrophobicContact CG-CZ 3.38Å
145L75.7Confident67.9Low81 Ų8174 Ų7442%0.42436%0.364SS..Hα-helixtrans-83.9-1.3-178.8-65.7178.8000114R141 G147 I149 F151R141-L145 HydrophobicContact CB-CD1 3.85Å; R141-L145 HydrophobicContact CB-CG 4.36Å; R141-L145 HydrophobicContact CG-CD1 4.21Å; R141-L145 WeakPolarHBondContact O-CA 3.35Å; R141-L145 WeakPolarHBondContact O-CB 3.47Å; R141-L145 WeakPolarHBondContact O-CG 3.28Å; R141-L145 PolarHBondContact O-N 3.29Å; L145-G147 PolarHBondContact O-N 3.04Å; L145-I149 WeakPolarHBondContact CD2-O 3.36Å; L145-F151 HydrophobicContact CD2-CB 4.28Å; L145-F151 HydrophobicContact CD2-CD2 4.3Å
146Q64.7Low65.3Low175 Ų17577.1 Ų77.182%0.81839%0.386SS*.THydrogen-bonded Turntrans-62.9-4.4164.6-71.5-175.55.700112.6S142 F144S142-Q146 WeakPolarHBondContact O-CG 3.45Å; F144-Q146 VanDerWaalsContact C-N 3.32Å; F144-Q146 PolarHBondContact O-N 3.47Å
147G51.1Low62.7Low31 Ų3179.7 Ų79.732%0.3239%0.387SS..SBendtrans-125.3169170.800000114.5L145 I149L145-G147 PolarHBondContact O-N 3.04Å; G147-I149 PolarHBondContact O-N 3.27Å
148N46.8Very low59.8Low161 Ų16181.7 Ų81.786%0.86141%0.405SS*.SBendtrans-69.153.7-177.3-76.6-30.1000114.6R126R126-N148 PolarHBondContact NH2-O 3.12Å
149I50.7Low56.9Low12 Ų1280 Ų806%0.06240%0.403CS..  trans-121118.4-179.4-61.8175000108.6L115 L145 G147 F151L115-I149 HydrophobicContact CB-CD1 4.26Å; L115-I149 HydrophobicContact CD1-CD1 3.78Å; L115-I149 HydrophobicContact CD2-CD1 3.17Å; L115-I149 HydrophobicContact CG-CD1 3.87Å; L145-I149 WeakPolarHBondContact CD2-O 3.36Å; G147-I149 PolarHBondContact O-N 3.27Å; I149-F151 HydrophobicContact CG2-CD2 3.95Å; I149-F151 HydrophobicContact CG2-CE2 4.15Å; I149-F151 PolarHBondContact O-N 3.16Å; I149-F151 VanDerWaalsContact O-N 3.17Å
150R46.5Very low53.9Low211 Ų21186.5 Ų86.580%0.79644%0.44SS*.  trans-77.299.4169.9-71.8-175.7119.1-175.90.3108.1L152R150-L152 PolarHBondContact O-N 3.16Å
151F45.1Very low52.1Low15 Ų1590.8 Ų90.87%0.06646%0.461CS..  trans-67.7116.6168.3-103.1-110.1000110.2L128 I130 F144 L145 I149L128-F151 HydrophobicContact CB-CE1 3.86Å; L128-F151 HydrophobicContact CB-CE2 4.24Å; L128-F151 HydrophobicContact CB-CZ 3.67Å; L128-F151 HydrophobicContact CD2-CE1 3.84Å; L128-F151 HydrophobicContact CD2-CE2 4.24Å; L128-F151 HydrophobicContact CD2-CZ 3.28Å; L128-F151 HydrophobicContact CG-CE1 4.04Å; L128-F151 HydrophobicContact CG-CZ 3.87Å; I130-F151 HydrophobicContact CG2-CE1 4.33Å; F144-F151 HydrophobicContact CB-CD2 4.05Å; F144-F151 HydrophobicContact CB-CE2 3.21Å; F144-F151 HydrophobicContact CB-CZ 3.43Å; F144-F151 VanDerWaalsContact CB-CZ 3.43Å; F144-F151 AromaticContact CD1-CE2 3.98Å; F144-F151 HydrophobicContact CD1-CE2 3.98Å; F144-F151 AromaticContact CD1-CZ 3.84Å; F144-F151 HydrophobicContact CD1-CZ 3.84Å; F144-F151 HydrophobicContact CD2-CE1 4.46Å; F144-F151 HydrophobicContact CD2-CE2 4.36Å; F144-F151 AromaticContact CD2-CZ 3.68Å; F144-F151 HydrophobicContact CD2-CZ 3.68Å; F144-F151 HydrophobicContact CE2-CZ 4.36Å; F144-F151 HydrophobicContact CG-CE1 4.5Å; F144-F151 AromaticContact CG-CE2 3.63Å; F144-F151 HydrophobicContact CG-CE2 3.63Å; F144-F151 AromaticContact CG-CZ 3.38Å; F144-F151 HydrophobicContact CG-CZ 3.38Å; L145-F151 HydrophobicContact CD2-CB 4.28Å; L145-F151 HydrophobicContact CD2-CD2 4.3Å; I149-F151 HydrophobicContact CG2-CD2 3.95Å; I149-F151 HydrophobicContact CG2-CE2 4.15Å; I149-F151 PolarHBondContact O-N 3.16Å; I149-F151 VanDerWaalsContact O-N 3.17Å
152L43.7Very low50.3Low59 Ų5991.5 Ų91.531%0.30947%0.47SS..  trans-107.4109.4163-131.778.3000107.7L12 F127 R150L12-L152 HydrophobicContact CD2-CD2 4.09Å; F127-L152 HydrophobicContact CD1-CB 3.88Å; F127-L152 HydrophobicContact CE1-CB 3.7Å; F127-L152 HydrophobicContact CE1-CD2 3.83Å; F127-L152 HydrophobicContact CE1-CG 4.42Å; R150-L152 PolarHBondContact O-N 3.16Å
153F42.3Very low48.3Very low96 Ų9692.7 Ų92.742%0.42147%0.469SS..  trans72.1113.4168-49.6-71.6000117.8M6 F155M6-F153 HydrophobicContact CE-CD1 4.27Å; M6-F153 HydrophobicContact CE-CD2 3.93Å; M6-F153 HydrophobicContact CE-CE1 4.43Å; M6-F153 HydrophobicContact CE-CE2 4.06Å; M6-F153 HydrophobicContact CE-CG 4.02Å; M6-F153 HydrophobicContact CE-CZ 4.34Å; F153-F155 HydrophobicContact CB-CD2 4.41Å; F153-F155 HydrophobicContact CB-CE2 3.88Å
154S44.2Very low45.9Very low18 Ų1894.8 Ų94.813%0.12648%0.479CS..  trans-99.6130.5161170.30000107.4
155F40.9Very low43.5Very low52 Ų52100.7 Ų100.723%0.22851%0.509CS..  trans-112113.8172.7-75.3-80.6000109.2D3 M6 F153 Y157D3-F155 HydrophobicContact CB-CD1 4.12Å; D3-F155 HydrophobicContact CB-CD2 3.95Å; D3-F155 HydrophobicContact CB-CE1 3.83Å; D3-F155 HydrophobicContact CB-CE2 3.63Å; D3-F155 HydrophobicContact CB-CG 4.18Å; D3-F155 HydrophobicContact CB-CZ 3.57Å; D3-F155 WeakPolarHBondContact OD1-CE1 2.9Å; D3-F155 WeakPolarHBondContact OD1-CZ 3.16Å; D3-F155 WeakPolarHBondContact OD2-CD1 3.38Å; D3-F155 WeakPolarHBondContact OD2-CE1 3.44Å; D3-F155 WeakPolarHBondContact OD2-CG 3.33Å; M6-F155 HydrophobicContact CE-CE2 4.02Å; M6-F155 HydrophobicContact CE-CZ 3.65Å; M6-F155 HydrophobicContact SD-CZ 4.33Å; F153-F155 HydrophobicContact CB-CD2 4.41Å; F153-F155 HydrophobicContact CB-CE2 3.88Å; F155-Y157 HydrophobicContact CB-CD2 4.35Å; F155-Y157 HydrophobicContact CB-CE2 4.09Å
156S33.4Very low41.4Very low76 Ų76102 Ų10253%0.53152%0.515SS..  trans-83.3110.8166.4-63.50000108.4
157Y32.2Very low39.7Very low131 Ų13196.8 Ų96.851%0.51449%0.493SS..  trans-88.4116.4166-82.7-94.6000109D3 F155D3-Y157 WeakPolarHBondContact OD2-CE2 3.48Å; D3-Y157 VanDerWaalsContact OD2-CZ 3.22Å; D3-Y157 PolarHBondContact OD2-OH 3.27Å; F155-Y157 HydrophobicContact CB-CD2 4.35Å; F155-Y157 HydrophobicContact CB-CE2 4.09Å
158V26.5Very low38.8Very low128 Ų128101.8 Ų101.878%0.77651%0.507SS*.  trans-80.8109152.5-179.80000105.4L160V158-L160 PolarHBondContact O-N 2.72Å
159I25.3Very low38.1Very low137 Ų13796.9 Ų96.970%0.70348%0.477SS*.  trans-70.3114.3172.7-58.1173.9000106.6
160L27.1Very low37Very low228 Ų228104.6 Ų104.6100%1.19452%0.515SS*.  trans-85.70159-71.9172.7000109.1V158V158-L160 PolarHBondContact O-N 2.72Å

Retrieved 160 of 160 residues in 116.7 ms (Link to these results)

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