A0A077Z7R9_TRITR Loading...

ArfGap domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z7R9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 264 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
1M90.1Very high96.4Very high149 Ų14979.3 Ų79.373%0.73440%0.399SS*.  0147.60-62.8-171.384.300110.7M64 D65M1-M64 WeakPolarHBondContact CA-O 3.2Å; M1-M64 PolarHBondContact N-O 2.97Å; M1-D65 CarbonylContact C-O 3.54Å; M1-D65 VanDerWaalsContact C-O 3.23Å
2A94.7Very high96.5Very high4 Ų479.1 Ų79.13%0.03340%0.4CS..  trans-70.9142.3179.900000111.4R7 S63 D65A2-R7 HydrophobicContact CB-CG 3.93Å; A2-R7 PolarHBondContact O-NE 3.28Å; A2-R7 VanDerWaalsContact O-NE 3.12Å; A2-R7 PolarHBondContact O-NH2 3.34Å; A2-R7 VanDerWaalsContact O-NH2 3.09Å; A2-S63 PolarHBondContact N-O 2.96Å; A2-D65 WeakPolarHBondContact CA-O 3.47Å; A2-D65 WeakPolarHBondContact CB-O 3.45Å; A2-D65 PolarHBondContact N-O 3.3Å
3S96.8Very high96.6Very high52 Ų5273.7 Ų73.736%0.36437%0.373SS..  trans-67.9157.4175.578.60000111.5R5 S6 R7S3-R5 VanDerWaalsContact C-N 3.25Å; S3-R5 PolarHBondContact O-N 3.37Å; S3-S6 PolarHBondContact O-N 3.02Å; S3-S6 VanDerWaalsContact O-N 3.13Å; S3-S6 PolarHBondContact OG-N 3.25Å; S3-S6 VanDerWaalsContact OG-N 3.11Å; S3-S6 PolarHBondContact OG-OG 3.44Å; S3-R7 WeakPolarHBondContact O-CG 3.44Å; S3-R7 PolarHBondContact O-N 2.71Å
4P97Very high96.6Very high108 Ų10872.9 Ų72.970%0.70136%0.363SS*.Hα-helixtrans-54-40.2174.8-27.535.8000113.4R7 S8P4-R7 PolarHBondContact O-N 2.87Å; P4-S8 PolarHBondContact O-N 3.31Å
5R96.8Very high96.6Very high163 Ų16375.8 Ų75.862%0.61539%0.386SS*.Hα-helixtrans-60.1-50.7174.7175.5178163.3166.8-6.4111.5S3 R7 S8 V9 E69S3-R5 VanDerWaalsContact C-N 3.25Å; S3-R5 PolarHBondContact O-N 3.37Å; R5-R7 VanDerWaalsContact C-N 3.3Å; R5-R7 PolarHBondContact O-N 3.39Å; R5-S8 PolarHBondContact O-N 3.48Å; R5-V9 WeakPolarHBondContact O-CG2 3.27Å; R5-V9 PolarHBondContact O-N 2.76Å; R5-V9 VanDerWaalsContact O-N 3.09Å; R5-E69 IonicContact CZ-OE2 3.75Å; R5-E69 IonicContact NE-OE2 2.84Å; R5-E69 IonicContact NH2-OE1 3.65Å; R5-E69 IonicContact NH2-OE2 3.12Å; R5-E69 PolarHBondContact NH2-OE2 3.2Å
6S97.8Very high96.5Very high5 Ų578.7 Ų78.74%0.03539%0.391CS..Hα-helixtrans-59.6-42.1179.4-50.50000111.5S3 V9 L10S3-S6 PolarHBondContact O-N 3.02Å; S3-S6 VanDerWaalsContact O-N 3.13Å; S3-S6 PolarHBondContact OG-N 3.25Å; S3-S6 VanDerWaalsContact OG-N 3.11Å; S3-S6 PolarHBondContact OG-OG 3.44Å; S6-V9 PolarHBondContact O-N 2.78Å; S6-L10 WeakPolarHBondContact O-CB 3.21Å; S6-L10 VanDerWaalsContact O-CG 3.28Å; S6-L10 WeakPolarHBondContact O-CG 3.39Å; S6-L10 PolarHBondContact O-N 3.1Å
7R96.9Very high96.3Very high113 Ų11376 Ų7643%0.42638%0.378SS..Hα-helixtrans-63.1-41.5177.4-68.9178.8-165.5166.14.9112.4A2 S3 P4 R5 K11A2-R7 HydrophobicContact CB-CG 3.93Å; A2-R7 PolarHBondContact O-NE 3.28Å; A2-R7 VanDerWaalsContact O-NE 3.12Å; A2-R7 PolarHBondContact O-NH2 3.34Å; A2-R7 VanDerWaalsContact O-NH2 3.09Å; S3-R7 WeakPolarHBondContact O-CG 3.44Å; S3-R7 PolarHBondContact O-N 2.71Å; P4-R7 PolarHBondContact O-N 2.87Å; R5-R7 VanDerWaalsContact C-N 3.3Å; R5-R7 PolarHBondContact O-N 3.39Å; R7-K11 VanDerWaalsContact O-CB 3.22Å; R7-K11 WeakPolarHBondContact O-CB 3.38Å; R7-K11 PolarHBondContact O-N 3.16Å
8S97.3Very high96.4Very high83 Ų8376.7 Ų76.758%0.5838%0.384SS*.Hα-helixtrans-61.6-48.1177173.50000111.5P4 R5 K11 D12P4-S8 PolarHBondContact O-N 3.31Å; R5-S8 PolarHBondContact O-N 3.48Å; S8-K11 PolarHBondContact O-N 3.21Å; S8-D12 PolarHBondContact O-N 3.23Å; S8-D12 VanDerWaalsContact O-N 3.09Å
9V97.8Very high96.4Very high29 Ų2972.8 Ų72.818%0.17636%0.364CS..Hα-helixtrans-60.1-49.1177173.90000111.4R5 S6 K11 D12 L13 L72 K76R5-V9 WeakPolarHBondContact O-CG2 3.27Å; R5-V9 PolarHBondContact O-N 2.76Å; R5-V9 VanDerWaalsContact O-N 3.09Å; S6-V9 PolarHBondContact O-N 2.78Å; V9-K11 VanDerWaalsContact C-N 3.31Å; V9-K11 PolarHBondContact O-N 3.48Å; V9-D12 PolarHBondContact O-N 3.42Å; V9-L13 HydrophobicContact CG1-CD1 4.05Å; V9-L13 HydrophobicContact CG1-CG 4.48Å; V9-L13 WeakPolarHBondContact O-CG 3.39Å; V9-L13 PolarHBondContact O-N 3.28Å; V9-L72 HydrophobicContact CG1-CD2 4.45Å; V9-K76 HydrophobicContact CG1-CG 4.43Å
10L97.9Very high96.4Very high1 Ų173.1 Ų73.11%0.00537%0.367CS..Hα-helixtrans-66.5-33.4-179-67.5168.5000112.1S6 L13 R14 W40 I62 W67 L72 M75S6-L10 WeakPolarHBondContact O-CB 3.21Å; S6-L10 VanDerWaalsContact O-CG 3.28Å; S6-L10 WeakPolarHBondContact O-CG 3.39Å; S6-L10 PolarHBondContact O-N 3.1Å; L10-L13 PolarHBondContact O-N 2.93Å; L10-R14 PolarHBondContact O-N 3.04Å; L10-W40 HydrophobicContact CB-CH2 4.29Å; L10-W40 VanDerWaalsContact O-CH2 3.31Å; L10-W40 WeakPolarHBondContact O-CH2 3.42Å; L10-I62 HydrophobicContact CB-CG2 4.13Å; L10-I62 HydrophobicContact CD1-CD1 4.3Å; L10-I62 HydrophobicContact CD1-CG2 4.08Å; L10-I62 HydrophobicContact CD2-CD1 4.25Å; L10-W67 HydrophobicContact CD1-CD2 4.04Å; L10-W67 HydrophobicContact CD1-CG 4.38Å; L10-W67 HydrophobicContact CD1-CZ2 3.91Å; L10-W67 HydrophobicContact CD2-CH2 4.32Å; L10-W67 HydrophobicContact CD2-CZ2 4.47Å; L10-W67 HydrophobicContact CD2-CZ3 4.49Å; L10-L72 HydrophobicContact CD1-CD2 4.32Å; L10-L72 HydrophobicContact CD2-CD2 4.16Å; L10-L72 HydrophobicContact CG-CD2 4.04Å; L10-M75 HydrophobicContact CD2-CB 4.34Å; L10-M75 HydrophobicContact CD2-CG 4.18Å
11K97.1Very high96.5Very high165 Ų16571.6 Ų71.672%0.71736%0.362SS*.Hα-helixtrans-64.1-42.5174.8-173-176178.1-1750111.6R7 S8 V9 R14R7-K11 VanDerWaalsContact O-CB 3.22Å; R7-K11 WeakPolarHBondContact O-CB 3.38Å; R7-K11 PolarHBondContact O-N 3.16Å; S8-K11 PolarHBondContact O-N 3.21Å; V9-K11 VanDerWaalsContact C-N 3.31Å; V9-K11 PolarHBondContact O-N 3.48Å; K11-R14 PolarHBondContact O-N 3.45Å
12D97.5Very high96.9Very high77 Ų7764.6 Ų64.641%0.41233%0.327SS..Hα-helixtrans-65.6-43.3175175.449.1000111.6S8 V9 R14 T15 R16S8-D12 PolarHBondContact O-N 3.23Å; S8-D12 VanDerWaalsContact O-N 3.09Å; V9-D12 PolarHBondContact O-N 3.42Å; D12-R14 VanDerWaalsContact C-N 3.26Å; D12-R14 PolarHBondContact O-N 3.39Å; D12-T15 PolarHBondContact O-N 3.15Å; D12-T15 PolarHBondContact O-OG1 3.06Å; D12-R16 IonicContact OD1-CZ 3.62Å; D12-R16 IonicContact OD1-NE 3.81Å; D12-R16 IonicContact OD1-NH2 3.66Å; D12-R16 PolarHBondContact OD1-NH2 2.56Å; D12-R16 IonicContact OD2-CZ 3.39Å; D12-R16 IonicContact OD2-NH1 3.86Å; D12-R16 IonicContact OD2-NH2 3.92Å; D12-R16 PolarHBondContact OD2-NH2 2.8Å
13L97.9Very high97.1Very high9 Ų965.8 Ų65.85%0.04733%0.332CS..Hα-helixtrans-63.9-30.6178-69.1175.1000113.4V9 L10 T15 R16 N19 W40 M75 K76V9-L13 HydrophobicContact CG1-CD1 4.05Å; V9-L13 HydrophobicContact CG1-CG 4.48Å; V9-L13 WeakPolarHBondContact O-CG 3.39Å; V9-L13 PolarHBondContact O-N 3.28Å; L10-L13 PolarHBondContact O-N 2.93Å; L13-T15 PolarHBondContact O-N 2.79Å; L13-R16 PolarHBondContact O-N 2.82Å; L13-R16 VanDerWaalsContact O-N 3.17Å; L13-N19 PolarHBondContact O-ND2 3.25Å; L13-W40 HydrophobicContact CB-CZ2 4.24Å; L13-M75 HydrophobicContact CD1-CB 3.79Å; L13-K76 HydrophobicContact CD1-CG 3.94Å; L13-K76 HydrophobicContact CD2-CB 4.42Å; L13-K76 HydrophobicContact CD2-CG 4.14Å
14R97.1Very high97.2Very high63 Ų6365.8 Ų65.824%0.23833%0.326CS..THydrogen-bonded Turntrans-62.3-24.1-179.6-173.8171.3172.2176.9-4.2113.6L10 K11 D12 R16 N20 N29 W40L10-R14 PolarHBondContact O-N 3.04Å; K11-R14 PolarHBondContact O-N 3.45Å; D12-R14 VanDerWaalsContact C-N 3.26Å; D12-R14 PolarHBondContact O-N 3.39Å; R14-R16 VanDerWaalsContact C-N 3.27Å; R14-R16 PolarHBondContact O-N 3.46Å; R14-N20 PolarHBondContact O-N 3.37Å; R14-N29 VanDerWaalsContact NH2-CA 3.28Å; R14-N29 VanDerWaalsContact NH2-CB 3.34Å; R14-N29 VanDerWaalsContact NH2-CG 3.29Å; R14-N29 PolarHBondContact NH2-OD1 2.8Å; R14-W40 HydrophobicContact CB-CH2 3.8Å; R14-W40 HydrophobicContact CB-CZ2 4.15Å; R14-W40 HydrophobicContact CB-CZ3 4.21Å; R14-W40 HydrophobicContact CG-CH2 4.32Å; R14-W40 HydrophobicContact CG-CZ3 4.22Å
15T95.7Very high97.3Very high116 Ų11663.7 Ų63.771%0.71231%0.313SS*.THydrogen-bonded Turntrans-82.7-4.6-179.565.30000113.2D12 L13D12-T15 PolarHBondContact O-N 3.15Å; D12-T15 PolarHBondContact O-OG1 3.06Å; L13-T15 PolarHBondContact O-N 2.79Å
16R95.3Very high97.3Very high122 Ų12258.1 Ų58.146%0.4631%0.306SS..SBendtrans-113.6160.1-174.4-53.6-177.1-168.4167.26.4111.2D12 L13 R14 D18 N19D12-R16 IonicContact OD1-CZ 3.62Å; D12-R16 IonicContact OD1-NE 3.81Å; D12-R16 IonicContact OD1-NH2 3.66Å; D12-R16 PolarHBondContact OD1-NH2 2.56Å; D12-R16 IonicContact OD2-CZ 3.39Å; D12-R16 IonicContact OD2-NH1 3.86Å; D12-R16 IonicContact OD2-NH2 3.92Å; D12-R16 PolarHBondContact OD2-NH2 2.8Å; L13-R16 PolarHBondContact O-N 2.82Å; L13-R16 VanDerWaalsContact O-N 3.17Å; R14-R16 VanDerWaalsContact C-N 3.27Å; R14-R16 PolarHBondContact O-N 3.46Å; R16-D18 PolarHBondContact O-N 3.04Å; R16-N19 WeakPolarHBondContact O-CB 3.4Å; R16-N19 PolarHBondContact O-N 3.48Å; R16-N19 PolarHBondContact O-ND2 2.77Å; R16-N19 VanDerWaalsContact O-ND2 3.1Å
17N94.3Very high97.3Very high33 Ų3361 Ų6118%0.17632%0.324CS..THydrogen-bonded Turntrans5133.4166.9-62.1-28.9000115.6N19 N80 R81N17-N19 PolarHBondContact O-N 3.4Å; N17-N19 PolarHBondContact O-OD1 3.42Å; N17-N80 WeakPolarHBondContact O-CB 2.87Å; N17-N80 PolarHBondContact O-N 2.91Å; N17-R81 HydrophobicContact CB-CB 4.16Å; N17-R81 PolarHBondContact O-N 3.45Å; N17-R81 PolarHBondContact OD1-NH2 2.93Å
18D96.9Very high97.4Very high89 Ų8962.1 Ų62.148%0.47633%0.334SS..THydrogen-bonded Turntrans57.429.5-177.3-49.4-42.7000113.7R16 N20 V21 N80R16-D18 PolarHBondContact O-N 3.04Å; D18-N20 PolarHBondContact O-N 3.06Å; D18-V21 HydrophobicContact CB-CG2 4.46Å; D18-V21 VanDerWaalsContact O-CG2 3.29Å; D18-V21 WeakPolarHBondContact O-CG2 3.41Å; D18-V21 PolarHBondContact O-N 3.36Å; D18-N80 PolarHBondContact O-ND2 3.26Å
19N97.7Very high97.3Very high2 Ų262.3 Ų62.31%0.01133%0.328CS..THydrogen-bonded Turntrans-71.8-8.2180-72-18.1000113.5L13 R16 N17 V21 W40 G79 N80L13-N19 PolarHBondContact O-ND2 3.25Å; R16-N19 WeakPolarHBondContact O-CB 3.4Å; R16-N19 PolarHBondContact O-N 3.48Å; R16-N19 PolarHBondContact O-ND2 2.77Å; R16-N19 VanDerWaalsContact O-ND2 3.1Å; N17-N19 PolarHBondContact O-N 3.4Å; N17-N19 PolarHBondContact O-OD1 3.42Å; N19-V21 VanDerWaalsContact C-N 3.3Å; N19-W40 VanDerWaalsContact CB-CD1 3.43Å; N19-W40 HydrophobicContact CB-CD2 4.12Å; N19-W40 HydrophobicContact CB-CG 3.91Å; N19-W40 PolarHBondContact ND2-NE1 3.12Å; N19-W40 VanDerWaalsContact OD1-CD1 3.24Å; N19-G79 WeakPolarHBondContact OD1-CA 3.49Å; N19-N80 PolarHBondContact OD1-N 3.09Å
20N96.5Very high97.3Very high79 Ų7961 Ų6142%0.42232%0.32SS..THydrogen-bonded Turntrans-77.4-13.2177.765.9-34.3000113.4R14 D18 N29R14-N20 PolarHBondContact O-N 3.37Å; D18-N20 PolarHBondContact O-N 3.06Å; N20-N29 WeakPolarHBondContact O-CA 3.32Å; N20-N29 PolarHBondContact O-N 2.63Å
21V98.4Very high97.3Very high42 Ų4264.3 Ų64.326%0.25534%0.336SS..BIsolated β-bridgetrans-115159177.7-640000111.4D18 N19 F23 T27 N80D18-V21 HydrophobicContact CB-CG2 4.46Å; D18-V21 VanDerWaalsContact O-CG2 3.29Å; D18-V21 WeakPolarHBondContact O-CG2 3.41Å; D18-V21 PolarHBondContact O-N 3.36Å; N19-V21 VanDerWaalsContact C-N 3.3Å; V21-F23 PolarHBondContact O-N 3.42Å; V21-T27 CarbonylContact C-O 3.54Å; V21-T27 WeakPolarHBondContact CA-O 3.5Å; V21-N80 PolarHBondContact O-ND2 2.86Å
22C98.7Very high97.4Very high2 Ų258 Ų581%0.01431%0.307CS..  trans-67.5129.2171.8-178.50000110E24 C25 G26 T27 C42C22-E24 PolarHBondContact O-N 3.38Å; C22-C25 PolarHBondContact SG-SG 2.96Å; C22-G26 VanDerWaalsContact O-CA 3.27Å; C22-G26 WeakPolarHBondContact O-CA 3.25Å; C22-G26 PolarHBondContact O-N 3.23Å; C22-T27 PolarHBondContact N-O 3.41Å; C22-C42 HydrophobicContact CB-CB 3.98Å; C22-C42 PolarHBondContact SG-N 3.23Å
23F98.6Very high97.4Very high29 Ų2954.3 Ų54.313%0.12729%0.288CS..THydrogen-bonded Turntrans-58.2-34.1178.6-179.5-102.5000113.5V21 I39 W40 L41 N80 C83 L84 I87 K102 W103V21-F23 PolarHBondContact O-N 3.42Å; F23-I39 HydrophobicContact CB-CB 4.16Å; F23-I39 HydrophobicContact CB-CD1 4.28Å; F23-I39 HydrophobicContact CD1-CD1 3.71Å; F23-I39 HydrophobicContact CD2-CB 4.43Å; F23-I39 HydrophobicContact CD2-CG2 4.09Å; F23-I39 HydrophobicContact CE1-CD1 4.24Å; F23-I39 HydrophobicContact CE2-CG2 4.34Å; F23-I39 HydrophobicContact CG-CB 4.18Å; F23-I39 HydrophobicContact CG-CD1 4.06Å; F23-I39 HydrophobicContact CG-CG2 4.22Å; F23-W40 WeakPolarHBondContact CB-O 3.34Å; F23-W40 PolarHBondContact N-O 2.86Å; F23-L41 HydrophobicContact CB-CD2 4.33Å; F23-N80 HydrophobicContact CD2-CB 3.96Å; F23-N80 WeakPolarHBondContact CE2-O 3.11Å; F23-C83 HydrophobicContact CE2-CB 3.86Å; F23-C83 HydrophobicContact CZ-CB 4.12Å; F23-L84 HydrophobicContact CE2-CB 4.02Å; F23-I87 HydrophobicContact CZ-CD1 4.47Å; F23-K102 VanDerWaalsContact CE1-NZ 3.29Å; F23-W103 HydrophobicContact CD1-CH2 4.25Å; F23-W103 AromaticContact CD1-CZ2 3.9Å; F23-W103 HydrophobicContact CD1-CZ2 3.9Å; F23-W103 AromaticContact CE1-CH2 3.61Å; F23-W103 HydrophobicContact CE1-CH2 3.61Å; F23-W103 AromaticContact CE1-CZ2 3.52Å; F23-W103 HydrophobicContact CE1-CZ2 3.52Å; F23-W103 HydrophobicContact CZ-CH2 4.34Å
24E98.3Very high97.5Very high51 Ų5153.9 Ų53.924%0.23829%0.286CS..THydrogen-bonded Turntrans-88.6-46.1-174.2-60.7-63.9179.900113.4C22 L41 C45 H49 F99 K102 W103C22-E24 PolarHBondContact O-N 3.38Å; E24-L41 HydrophobicContact CG-CD2 4.02Å; E24-C45 HydrophobicContact CB-CB 4.24Å; E24-C45 HydrophobicContact CG-CB 4.23Å; E24-H49 IonicContact OE1-CE1 2.97Å; E24-H49 IonicContact OE1-NE2 3.12Å; E24-H49 PolarHBondContact OE1-NE2 3.14Å; E24-H49 VanDerWaalsContact OE1-NE2 3.12Å; E24-F99 HydrophobicContact CG-CE2 4.22Å; E24-K102 IonicContact OE1-NZ 3.77Å; E24-K102 IonicContact OE2-NZ 3.4Å; E24-K102 PolarHBondContact OE2-NZ 3.21Å; E24-W103 WeakPolarHBondContact OE1-CZ2 3.33Å; E24-W103 PolarHBondContact OE1-NE1 3.25Å
25C98Very high97.5Very high65 Ų6551 Ų5144%0.43928%0.275SS..THydrogen-bonded Turntrans-116.7-2.8-170.7650000114.1C22 T27 C42C22-C25 PolarHBondContact SG-SG 2.96Å; C25-T27 PolarHBondContact O-N 3.47Å; C25-T27 PolarHBondContact SG-OG1 2.75Å; C25-C42 VanDerWaalsContact SG-SG 3.61Å
26G97.9Very high97.7Very high45 Ų4546.4 Ų46.446%0.46425%0.247SC..  trans73.4-0.8179.800000115.5C22 H28C22-G26 VanDerWaalsContact O-CA 3.27Å; C22-G26 WeakPolarHBondContact O-CA 3.25Å; C22-G26 PolarHBondContact O-N 3.23Å; G26-H28 PolarHBondContact O-N 2.76Å
27T98.1Very high97.8Very high66 Ų6640.6 Ų40.641%0.40523%0.225SC..  trans-55.7129.5177.5-550000110.9V21 C22 C25 C42V21-T27 CarbonylContact C-O 3.54Å; V21-T27 WeakPolarHBondContact CA-O 3.5Å; C22-T27 PolarHBondContact N-O 3.41Å; C25-T27 PolarHBondContact O-N 3.47Å; C25-T27 PolarHBondContact SG-OG1 2.75Å; T27-C42 HydrophobicContact CG2-CB 4.49Å
28H97.5Very high98.1Very high136 Ų13639 Ų3963%0.6322%0.216SC*.BIsolated β-bridgetrans-61160.4179.167.6167.6000113.4G26 A30G26-H28 PolarHBondContact O-N 2.76Å; H28-A30 PolarHBondContact O-N 3.41Å
29N95.7Very high98.1Very high88 Ų8834.8 Ų34.847%0.47119%0.194SC..SBendtrans59.342.3171.1-65.1-32.4000115.4R14 N20 Q31R14-N29 VanDerWaalsContact NH2-CA 3.28Å; R14-N29 VanDerWaalsContact NH2-CB 3.34Å; R14-N29 VanDerWaalsContact NH2-CG 3.29Å; R14-N29 PolarHBondContact NH2-OD1 2.8Å; N20-N29 WeakPolarHBondContact O-CA 3.32Å; N20-N29 PolarHBondContact O-N 2.63Å; N29-Q31 WeakPolarHBondContact O-CG 3.48Å; N29-Q31 PolarHBondContact O-N 3.11Å; N29-Q31 PolarHBondContact O-NE2 2.86Å
30A97.9Very high98.2Very high1 Ų134.7 Ų34.71%0.00819%0.193CC..  trans-46.5122.3172.900000112.5H28 W40 L41H28-A30 PolarHBondContact O-N 3.41Å; A30-W40 HydrophobicContact CB-CB 3.81Å; A30-L41 WeakPolarHBondContact CA-O 3.48Å; A30-L41 WeakPolarHBondContact CB-O 3.38Å
31Q97.9Very high98.3Very high71 Ų7130.9 Ų30.933%0.33217%0.173SC..  trans-110.12.9-178.5-67.6-48.4-63.800113.3N29 L41 I62N29-Q31 WeakPolarHBondContact O-CG 3.48Å; N29-Q31 PolarHBondContact O-N 3.11Å; N29-Q31 PolarHBondContact O-NE2 2.86Å; Q31-L41 PolarHBondContact N-O 3.17Å; Q31-I62 WeakPolarHBondContact O-CG1 3.4Å; Q31-I62 PolarHBondContact O-N 2.92Å
32W98.7Very high98.3Very high32 Ų3229.6 Ų29.612%0.12117%0.165CC..EExtended strand (participates in β ladder)trans-124.8161.7178.9-61.384.4000109.2W40 L41 L43 V59 R60 M64W32-W40 CarbonylContact O-C 3.58Å; W32-W40 WeakPolarHBondContact O-CA 3.07Å; W32-L41 HydrophobicContact CB-CB 4.17Å; W32-L41 WeakPolarHBondContact CB-O 3.45Å; W32-L41 PolarHBondContact N-O 3.49Å; W32-L41 PolarHBondContact O-N 3.35Å; W32-L43 HydrophobicContact CZ2-CD1 3.62Å; W32-L43 VanDerWaalsContact NE1-CD1 3.34Å; W32-V59 HydrophobicContact CE3-CG1 4.11Å; W32-R60 CarbonylContact C-O 3.59Å; W32-R60 WeakPolarHBondContact CA-O 3.42Å; W32-M64 HydrophobicContact CH2-CE 3.72Å; W32-M64 HydrophobicContact CZ2-CE 3.57Å
33A98.7Very high98.3Very high0 Ų035 Ų350%019%0.194CC..EExtended strand (participates in β ladder)trans-142.3148.7176.400000110.6I39 V59 R60 I62 W67 M75A33-I39 CarbonylContact C-O 3.59Å; A33-I39 WeakPolarHBondContact CA-O 3.26Å; A33-I39 WeakPolarHBondContact CB-O 3.44Å; A33-V59 CarbonylContact O-C 3.52Å; A33-V59 VanDerWaalsContact O-CA 3.31Å; A33-V59 WeakPolarHBondContact O-CA 3.42Å; A33-R60 PolarHBondContact N-O 3.14Å; A33-R60 PolarHBondContact O-N 3.29Å; A33-I62 HydrophobicContact CB-CD1 3.92Å; A33-W67 HydrophobicContact CB-CH2 4.2Å; A33-M75 HydrophobicContact CB-CE 3.79Å; A33-M75 HydrophobicContact CB-SD 4.02Å
34S98.8Very high98.3Very high0 Ų040.9 Ų40.90%022%0.221CC..EExtended strand (participates in β ladder)trans-95106.6158.7-178.80000108.2T36 Y37 G38 I39 S57 F58S34-T36 PolarHBondContact O-N 3.02Å; S34-Y37 PolarHBondContact O-N 2.88Å; S34-Y37 WeakPolarHBondContact OG-CD2 3.4Å; S34-G38 PolarHBondContact O-N 3.47Å; S34-I39 PolarHBondContact N-O 3.07Å; S34-I39 PolarHBondContact O-N 2.97Å; S34-S57 WeakPolarHBondContact CB-OG 3.31Å; S34-S57 PolarHBondContact OG-OG 3.01Å; S34-F58 WeakPolarHBondContact CA-O 3.49Å
35V98.8Very high98.3Very high3 Ų338.6 Ų38.62%0.01821%0.211CC..THydrogen-bonded Turntrans-63.2-30.3-179.8-176.10000110.8Y37 G38 F58 R60 W67 E71 K74V35-Y37 PolarHBondContact O-N 3.18Å; V35-G38 PolarHBondContact O-N 2.96Å; V35-F58 HydrophobicContact CB-CD1 4.11Å; V35-F58 HydrophobicContact CG2-CD1 4.18Å; V35-F58 PolarHBondContact N-O 3.02Å; V35-R60 HydrophobicContact CG2-CB 3.98Å; V35-R60 HydrophobicContact CG2-CG 3.56Å; V35-W67 HydrophobicContact CG2-CH2 3.78Å; V35-W67 HydrophobicContact CG2-CZ3 3.65Å; V35-E71 HydrophobicContact CG1-CB 3.72Å; V35-E71 HydrophobicContact CG1-CG 3.99Å; V35-K74 HydrophobicContact CG1-CB 4.12Å; V35-K74 HydrophobicContact CG1-CD 4.01Å
36T98.7Very high98.3Very high18 Ų1835.7 Ų35.711%0.1119%0.191CC..THydrogen-bonded Turntrans-56.8-38.4178.5-61.60000112.7S34 I56 F58 R112S34-T36 PolarHBondContact O-N 3.02Å; T36-I56 WeakPolarHBondContact CG2-O 3.45Å; T36-F58 WeakPolarHBondContact OG1-CB 3.33Å; T36-F58 PolarHBondContact OG1-N 3.01Å; T36-R112 HydrophobicContact CG2-CB 4.21Å; T36-R112 HydrophobicContact CG2-CG 3.46Å; T36-R112 VanDerWaalsContact CG2-CG 3.46Å
37Y98.7Very high98.4Very high0 Ų035.4 Ų35.40%019%0.188CC..THydrogen-bonded Turntrans-111.4-6.3-177.4-52.2-72.8000113.1S34 V35 I39 I56 W103 A108 Y111 R112S34-Y37 PolarHBondContact O-N 2.88Å; S34-Y37 WeakPolarHBondContact OG-CD2 3.4Å; V35-Y37 PolarHBondContact O-N 3.18Å; Y37-I39 VanDerWaalsContact C-N 3.3Å; Y37-I39 HydrophobicContact CD2-CD1 4.26Å; Y37-I39 PolarHBondContact O-N 2.89Å; Y37-I56 WeakPolarHBondContact CE2-O 3.31Å; Y37-I56 VanDerWaalsContact CZ-O 3.28Å; Y37-I56 PolarHBondContact OH-O 2.9Å; Y37-W103 HydrophobicContact CD1-CE3 4.18Å; Y37-W103 HydrophobicContact CD1-CH2 4.44Å; Y37-W103 AromaticContact CD1-CZ3 3.59Å; Y37-W103 HydrophobicContact CD1-CZ3 3.59Å; Y37-W103 HydrophobicContact CD2-CE3 4.04Å; Y37-W103 HydrophobicContact CD2-CH2 4Å; Y37-W103 AromaticContact CD2-CZ3 3.64Å; Y37-W103 HydrophobicContact CD2-CZ3 3.64Å; Y37-W103 AromaticContact CE1-CE3 3.57Å; Y37-W103 HydrophobicContact CE1-CE3 3.57Å; Y37-W103 AromaticContact CE1-CZ3 3.47Å; Y37-W103 HydrophobicContact CE1-CZ3 3.47Å; Y37-W103 VanDerWaalsContact CE1-CZ3 3.47Å; Y37-W103 HydrophobicContact CE2-CD2 4.12Å; Y37-W103 AromaticContact CE2-CE3 3.5Å; Y37-W103 HydrophobicContact CE2-CE3 3.5Å; Y37-W103 HydrophobicContact CE2-CH2 4.28Å; Y37-W103 AromaticContact CE2-CZ3 3.61Å; Y37-W103 HydrophobicContact CE2-CZ3 3.61Å; Y37-W103 HydrophobicContact CG-CE3 4.37Å; Y37-W103 HydrophobicContact CG-CH2 4.1Å; Y37-W103 AromaticContact CG-CZ3 3.65Å; Y37-W103 HydrophobicContact CG-CZ3 3.65Å; Y37-W103 AromaticContact CZ-CE3 3.23Å; Y37-W103 AromaticContact CZ-CZ3 3.52Å; Y37-A108 HydrophobicContact CE1-CB 4.32Å; Y37-Y111 AromaticContact CD1-CD1 3.94Å; Y37-Y111 HydrophobicContact CD1-CD1 3.94Å; Y37-Y111 VanDerWaalsContact O-CE1 3.22Å; Y37-Y111 WeakPolarHBondContact O-CE1 3.37Å; Y37-R112 HydrophobicContact CD1-CG 3.76Å; Y37-R112 HydrophobicContact CE1-CG 3.2Å; Y37-R112 PolarHBondContact OH-NH1 3.27Å
38G98.6Very high98.4Very high0 Ų038 Ų380%019%0.194CC..THydrogen-bonded Turntrans67.527.8-174.100000113.9S34 V35 G79S34-G38 PolarHBondContact O-N 3.47Å; V35-G38 PolarHBondContact O-N 2.96Å; G38-G79 VanDerWaalsContact O-CA 3.29Å; G38-G79 WeakPolarHBondContact O-CA 3.34Å; G38-G79 PolarHBondContact O-N 3.12Å
39I98.8Very high98.4Very high0 Ų031.5 Ų31.50%016%0.164CC..EExtended strand (participates in β ladder)trans-107157.7-176.665.4178.1000112.5F23 A33 S34 Y37 L41 N80 C83 W103F23-I39 HydrophobicContact CB-CB 4.16Å; F23-I39 HydrophobicContact CB-CD1 4.28Å; F23-I39 HydrophobicContact CD1-CD1 3.71Å; F23-I39 HydrophobicContact CD2-CB 4.43Å; F23-I39 HydrophobicContact CD2-CG2 4.09Å; F23-I39 HydrophobicContact CE1-CD1 4.24Å; F23-I39 HydrophobicContact CE2-CG2 4.34Å; F23-I39 HydrophobicContact CG-CB 4.18Å; F23-I39 HydrophobicContact CG-CD1 4.06Å; F23-I39 HydrophobicContact CG-CG2 4.22Å; A33-I39 CarbonylContact C-O 3.59Å; A33-I39 WeakPolarHBondContact CA-O 3.26Å; A33-I39 WeakPolarHBondContact CB-O 3.44Å; S34-I39 PolarHBondContact N-O 3.07Å; S34-I39 PolarHBondContact O-N 2.97Å; Y37-I39 VanDerWaalsContact C-N 3.3Å; Y37-I39 HydrophobicContact CD2-CD1 4.26Å; Y37-I39 PolarHBondContact O-N 2.89Å; I39-L41 HydrophobicContact CD1-CD2 4.17Å; I39-L41 HydrophobicContact CG1-CD2 4.45Å; I39-N80 WeakPolarHBondContact CA-OD1 3.42Å; I39-N80 WeakPolarHBondContact CB-OD1 3.5Å; I39-C83 HydrophobicContact CG2-CB 3.51Å; I39-W103 HydrophobicContact CD1-CH2 3.63Å; I39-W103 HydrophobicContact CD1-CZ2 3.68Å
40W98.7Very high98.6Very high0 Ų033.4 Ų33.40%017%0.165CC..EExtended strand (participates in β ladder)trans-105.3137.7-178.3-65.771.2000111.5L10 L13 R14 N19 F23 A30 W32 I62 N80L10-W40 HydrophobicContact CB-CH2 4.29Å; L10-W40 VanDerWaalsContact O-CH2 3.31Å; L10-W40 WeakPolarHBondContact O-CH2 3.42Å; L13-W40 HydrophobicContact CB-CZ2 4.24Å; R14-W40 HydrophobicContact CB-CH2 3.8Å; R14-W40 HydrophobicContact CB-CZ2 4.15Å; R14-W40 HydrophobicContact CB-CZ3 4.21Å; R14-W40 HydrophobicContact CG-CH2 4.32Å; R14-W40 HydrophobicContact CG-CZ3 4.22Å; N19-W40 VanDerWaalsContact CB-CD1 3.43Å; N19-W40 HydrophobicContact CB-CD2 4.12Å; N19-W40 HydrophobicContact CB-CG 3.91Å; N19-W40 PolarHBondContact ND2-NE1 3.12Å; N19-W40 VanDerWaalsContact OD1-CD1 3.24Å; F23-W40 WeakPolarHBondContact CB-O 3.34Å; F23-W40 PolarHBondContact N-O 2.86Å; A30-W40 HydrophobicContact CB-CB 3.81Å; W32-W40 CarbonylContact O-C 3.58Å; W32-W40 WeakPolarHBondContact O-CA 3.07Å; W40-I62 HydrophobicContact CD2-CD1 4.48Å; W40-I62 HydrophobicContact CE3-CD1 3.87Å; W40-I62 HydrophobicContact CE3-CG1 4.05Å; W40-I62 HydrophobicContact CH2-CD1 3.66Å; W40-I62 HydrophobicContact CH2-CG1 4.22Å; W40-I62 HydrophobicContact CH2-CG2 4.43Å; W40-I62 HydrophobicContact CZ2-CD1 4.28Å; W40-I62 HydrophobicContact CZ3-CD1 3.43Å; W40-I62 VanDerWaalsContact CZ3-CD1 3.43Å; W40-I62 HydrophobicContact CZ3-CG1 3.57Å; W40-I62 HydrophobicContact CZ3-CG2 4.25Å; W40-N80 PolarHBondContact N-OD1 2.84Å
41L98.8Very high98.6Very high0 Ų036.8 Ų36.80%020%0.2CC..EExtended strand (participates in β ladder)trans-132.3147.7-171.3-58.3173.4000111.5F23 E24 A30 Q31 W32 I39 C45 H49F23-L41 HydrophobicContact CB-CD2 4.33Å; E24-L41 HydrophobicContact CG-CD2 4.02Å; A30-L41 WeakPolarHBondContact CA-O 3.48Å; A30-L41 WeakPolarHBondContact CB-O 3.38Å; Q31-L41 PolarHBondContact N-O 3.17Å; W32-L41 HydrophobicContact CB-CB 4.17Å; W32-L41 WeakPolarHBondContact CB-O 3.45Å; W32-L41 PolarHBondContact N-O 3.49Å; W32-L41 PolarHBondContact O-N 3.35Å; I39-L41 HydrophobicContact CD1-CD2 4.17Å; I39-L41 HydrophobicContact CG1-CD2 4.45Å; L41-C45 HydrophobicContact CB-CB 4.49Å; L41-C45 HydrophobicContact CD2-CB 4.29Å; L41-H49 HydrophobicContact CD1-CB 4.1Å; L41-H49 VanDerWaalsContact CD1-CD2 3.43Å; L41-H49 WeakPolarHBondContact CD1-CD2 3.45Å
42C98.7Very high98.5Very high14 Ų1434.6 Ų34.610%0.09519%0.191CC..  trans-75171.916472.20000110.7C22 C25 T27 E44 C45 S46C22-C42 HydrophobicContact CB-CB 3.98Å; C22-C42 PolarHBondContact SG-N 3.23Å; C25-C42 VanDerWaalsContact SG-SG 3.61Å; T27-C42 HydrophobicContact CG2-CB 4.49Å; C42-E44 VanDerWaalsContact C-N 3.34Å; C42-E44 PolarHBondContact O-N 3.43Å; C42-C45 PolarHBondContact SG-N 2.9Å; C42-C45 VanDerWaalsContact SG-N 3.39Å; C42-C45 VanDerWaalsContact SG-SG 3.63Å; C42-S46 WeakPolarHBondContact O-CB 3.35Å; C42-S46 PolarHBondContact O-N 3.15Å
43L98.2Very high98.4Very high117 Ų11734.1 Ų34.161%0.61320%0.196SC*.Hα-helixtrans-57.2-46.3179.617962.9000112W32 S46 G47W32-L43 HydrophobicContact CZ2-CD1 3.62Å; W32-L43 VanDerWaalsContact NE1-CD1 3.34Å; L43-S46 WeakPolarHBondContact O-CB 3.38Å; L43-S46 PolarHBondContact O-N 2.98Å; L43-S46 PolarHBondContact O-OG 3.38Å; L43-G47 PolarHBondContact O-N 2.82Å
44E98.6Very high98.4Very high151 Ų15139.5 Ų39.571%0.70623%0.228SC*.Hα-helixtrans-65.8-49.1-177.5-62.5178.5-175.600112.5C42 S46 G47 K48C42-E44 VanDerWaalsContact C-N 3.34Å; C42-E44 PolarHBondContact O-N 3.43Å; E44-S46 VanDerWaalsContact C-N 3.26Å; E44-S46 PolarHBondContact O-N 3.06Å; E44-G47 WeakPolarHBondContact O-CA 3.36Å; E44-G47 PolarHBondContact O-N 3.3Å; E44-K48 PolarHBondContact O-N 2.94Å
45C98.7Very high98.2Very high3 Ų346.3 Ų46.32%0.0226%0.26CS..Hα-helixtrans-65.2-31.7177.7-68.30000111.8E24 L41 C42 G47 K48 H49E24-C45 HydrophobicContact CB-CB 4.24Å; E24-C45 HydrophobicContact CG-CB 4.23Å; L41-C45 HydrophobicContact CB-CB 4.49Å; L41-C45 HydrophobicContact CD2-CB 4.29Å; C42-C45 PolarHBondContact SG-N 2.9Å; C42-C45 VanDerWaalsContact SG-N 3.39Å; C42-C45 VanDerWaalsContact SG-SG 3.63Å; C45-G47 PolarHBondContact O-N 3.49Å; C45-K48 PolarHBondContact O-N 3.34Å; C45-K48 VanDerWaalsContact O-N 3.15Å; C45-H49 PolarHBondContact O-CD2 2.9Å; C45-H49 VanDerWaalsContact O-CD2 3.27Å; C45-H49 PolarHBondContact O-N 3.06Å
46S98.6Very high98.2Very high4 Ų446.3 Ų46.33%0.02826%0.259CS..Hα-helixtrans-59.8-35.5171.687.80000111.9C42 L43 E44 H49 R50C42-S46 WeakPolarHBondContact O-CB 3.35Å; C42-S46 PolarHBondContact O-N 3.15Å; L43-S46 WeakPolarHBondContact O-CB 3.38Å; L43-S46 PolarHBondContact O-N 2.98Å; L43-S46 PolarHBondContact O-OG 3.38Å; E44-S46 VanDerWaalsContact C-N 3.26Å; E44-S46 PolarHBondContact O-N 3.06Å; S46-H49 PolarHBondContact O-N 3.31Å; S46-R50 VanDerWaalsContact O-CG 3.28Å; S46-R50 WeakPolarHBondContact O-CG 3.45Å; S46-R50 PolarHBondContact O-N 3.2Å
47G98.5Very high98.1Very high39 Ų3945.5 Ų45.540%0.40226%0.255SS..Hα-helixtrans-63.8-45.9172.600000112.4L43 E44 C45 H49 R50 G51L43-G47 PolarHBondContact O-N 2.82Å; E44-G47 WeakPolarHBondContact O-CA 3.36Å; E44-G47 PolarHBondContact O-N 3.3Å; C45-G47 PolarHBondContact O-N 3.49Å; G47-H49 VanDerWaalsContact C-N 3.35Å; G47-H49 PolarHBondContact O-N 3.31Å; G47-R50 WeakPolarHBondContact O-CB 3.37Å; G47-R50 PolarHBondContact O-N 3.22Å; G47-G51 PolarHBondContact O-N 2.97Å
48K98.5Very high98.1Very high120 Ų12048.7 Ų48.752%0.52227%0.269SS..Hα-helixtrans-59.4-44.9175.7-59.9-179.2-177.6177.40111.7E44 C45 R50 G51 F99E44-K48 PolarHBondContact O-N 2.94Å; C45-K48 PolarHBondContact O-N 3.34Å; C45-K48 VanDerWaalsContact O-N 3.15Å; K48-R50 VanDerWaalsContact C-N 3.33Å; K48-R50 PolarHBondContact O-N 3.33Å; K48-G51 PolarHBondContact O-N 3.07Å; K48-G51 VanDerWaalsContact O-N 3.08Å; K48-F99 HydrophobicContact CB-CD1 4.36Å; K48-F99 HydrophobicContact CB-CE1 3.7Å; K48-F99 HydrophobicContact CB-CE2 4.22Å; K48-F99 HydrophobicContact CB-CZ 3.62Å
49H98.7Very high98.2Very high0 Ų049.4 Ų49.40%027%0.273CS..Hα-helixtrans-63.4-35176.8-87.5-95.6000113.4E24 L41 C45 S46 G47 G51 L52 S57 V59 F99 W103E24-H49 IonicContact OE1-CE1 2.97Å; E24-H49 IonicContact OE1-NE2 3.12Å; E24-H49 PolarHBondContact OE1-NE2 3.14Å; E24-H49 VanDerWaalsContact OE1-NE2 3.12Å; L41-H49 HydrophobicContact CD1-CB 4.1Å; L41-H49 VanDerWaalsContact CD1-CD2 3.43Å; L41-H49 WeakPolarHBondContact CD1-CD2 3.45Å; C45-H49 PolarHBondContact O-CD2 2.9Å; C45-H49 VanDerWaalsContact O-CD2 3.27Å; C45-H49 PolarHBondContact O-N 3.06Å; S46-H49 PolarHBondContact O-N 3.31Å; G47-H49 VanDerWaalsContact C-N 3.35Å; G47-H49 PolarHBondContact O-N 3.31Å; H49-G51 VanDerWaalsContact C-N 3.26Å; H49-G51 PolarHBondContact O-N 3.32Å; H49-L52 WeakPolarHBondContact O-CB 3.49Å; H49-L52 PolarHBondContact O-N 3.3Å; H49-S57 PolarHBondContact ND1-OG 3.04Å; H49-V59 HydrophobicContact CB-CG2 3.58Å; H49-F99 AromaticContact CD2-CE2 3.88Å; H49-F99 AromaticContact CD2-CZ 3.62Å; H49-F99 AromaticContact NE2-CE2 3.79Å; H49-F99 AromaticContact NE2-CZ 3.89Å; H49-W103 AromaticContact CE1-CE2 3.49Å; H49-W103 VanDerWaalsContact CE1-CE2 3.49Å; H49-W103 AromaticContact CE1-CZ2 3.65Å; H49-W103 AromaticContact CE1-NE1 3.44Å; H49-W103 PolarHBondContact CE1-NE1 3.09Å; H49-W103 AromaticContact NE2-NE1 3.66Å
50R98.4Very high98.1Very high128 Ų12851.7 Ų51.748%0.48328%0.281SS..Hα-helixtrans-62.7-36172.8-71.4166.6-175.5-82.3-0.7111.5S46 G47 K48 L52 G53 V59S46-R50 VanDerWaalsContact O-CG 3.28Å; S46-R50 WeakPolarHBondContact O-CG 3.45Å; S46-R50 PolarHBondContact O-N 3.2Å; G47-R50 WeakPolarHBondContact O-CB 3.37Å; G47-R50 PolarHBondContact O-N 3.22Å; K48-R50 VanDerWaalsContact C-N 3.33Å; K48-R50 PolarHBondContact O-N 3.33Å; R50-L52 PolarHBondContact O-N 3.47Å; R50-G53 PolarHBondContact O-N 3.15Å; R50-G53 VanDerWaalsContact O-N 3.11Å; R50-V59 HydrophobicContact CG-CB 4.15Å; R50-V59 HydrophobicContact CG-CG1 4.47Å; R50-V59 HydrophobicContact CG-CG2 4.12Å
51G97.7Very high98.1Very high73 Ų7351.8 Ų51.875%0.75328%0.282SS*.Hα-helixtrans-63.6-2317700000114.8G47 K48 H49 G53G47-G51 PolarHBondContact O-N 2.97Å; K48-G51 PolarHBondContact O-N 3.07Å; K48-G51 VanDerWaalsContact O-N 3.08Å; H49-G51 VanDerWaalsContact C-N 3.26Å; H49-G51 PolarHBondContact O-N 3.32Å; G51-G53 PolarHBondContact O-N 3.49Å
52L97.1Very high98.1Very high25 Ų2552.5 Ų52.513%0.13129%0.286CS..THydrogen-bonded Turntrans-72.1-17.8174.2-59.7171000112.9H49 R50 I56 F99 W103H49-L52 WeakPolarHBondContact O-CB 3.49Å; H49-L52 PolarHBondContact O-N 3.3Å; R50-L52 PolarHBondContact O-N 3.47Å; L52-I56 HydrophobicContact CB-CB 3.95Å; L52-I56 HydrophobicContact CB-CG2 3.94Å; L52-I56 HydrophobicContact CD1-CG2 4.01Å; L52-I56 HydrophobicContact CG-CG2 4.49Å; L52-F99 HydrophobicContact CD1-CE1 3.71Å; L52-F99 HydrophobicContact CD1-CZ 3.87Å; L52-F99 HydrophobicContact CD2-CD1 4.19Å; L52-F99 HydrophobicContact CD2-CE1 3.81Å; L52-F99 HydrophobicContact CG-CE1 3.74Å; L52-F99 HydrophobicContact CG-CZ 4.36Å; L52-W103 HydrophobicContact CD1-CB 3.7Å; L52-W103 HydrophobicContact CD1-CG 3.83Å
53G97.1Very high98Very high22 Ų2254.1 Ų54.123%0.22730%0.297CS..  trans88.3152.8-173.300000113.8R50 G51 H55 I56 S57R50-G53 PolarHBondContact O-N 3.15Å; R50-G53 VanDerWaalsContact O-N 3.11Å; G51-G53 PolarHBondContact O-N 3.49Å; G53-H55 PolarHBondContact O-N 2.85Å; G53-I56 PolarHBondContact O-N 2.82Å; G53-S57 PolarHBondContact O-N 3.45Å
54V97.8Very high98Very high113 Ų11353.7 Ų53.769%0.68529%0.294SS*.THydrogen-bonded Turntrans-64.3-22.9-172.5-63.60000114.3F58V54-F58 HydrophobicContact CB-CD2 4.42Å; V54-F58 HydrophobicContact CG1-CD2 4.45Å
55H95.4Very high97.9Very high143 Ų14348.4 Ų48.466%0.66227%0.27SS*.THydrogen-bonded Turntrans-75.7-24.8177.363.4-77.5000112.4G53G53-H55 PolarHBondContact O-N 2.85Å
56I97.2Very high97.9Very high2 Ų256 Ų561%0.0130%0.303CS..THydrogen-bonded Turntrans-93.5-46174-57.3-57.2000110.9T36 Y37 L52 G53 W103 W134T36-I56 WeakPolarHBondContact CG2-O 3.45Å; Y37-I56 WeakPolarHBondContact CE2-O 3.31Å; Y37-I56 VanDerWaalsContact CZ-O 3.28Å; Y37-I56 PolarHBondContact OH-O 2.9Å; L52-I56 HydrophobicContact CB-CB 3.95Å; L52-I56 HydrophobicContact CB-CG2 3.94Å; L52-I56 HydrophobicContact CD1-CG2 4.01Å; L52-I56 HydrophobicContact CG-CG2 4.49Å; G53-I56 PolarHBondContact O-N 2.82Å; I56-W103 HydrophobicContact CG2-CB 4.02Å; I56-W134 HydrophobicContact CD1-CH2 4.44Å; I56-W134 HydrophobicContact CD1-CZ2 4.45Å
57S98.4Very high97.9Very high2 Ų257.1 Ų57.11%0.01431%0.306CS..  trans-144.2111.5-176.8-177.40000112S34 H49 G53S34-S57 WeakPolarHBondContact CB-OG 3.31Å; S34-S57 PolarHBondContact OG-OG 3.01Å; H49-S57 PolarHBondContact ND1-OG 3.04Å; G53-S57 PolarHBondContact O-N 3.45Å
58F98.6Very high97.8Very high67 Ų6762 Ų6229%0.29432%0.316SS..  trans-91.7107.2175.8-171.6-113.7000110.9S34 V35 T36 V54 R60 E71S34-F58 WeakPolarHBondContact CA-O 3.49Å; V35-F58 HydrophobicContact CB-CD1 4.11Å; V35-F58 HydrophobicContact CG2-CD1 4.18Å; V35-F58 PolarHBondContact N-O 3.02Å; T36-F58 WeakPolarHBondContact OG1-CB 3.33Å; T36-F58 PolarHBondContact OG1-N 3.01Å; V54-F58 HydrophobicContact CB-CD2 4.42Å; V54-F58 HydrophobicContact CG1-CD2 4.45Å; F58-R60 HydrophobicContact CD1-CG 4.46Å; F58-R60 HydrophobicContact CE1-CG 4.07Å; F58-E71 WeakPolarHBondContact CE1-OE1 3.39Å
59V98.8Very high97.8Very high14 Ų1459.9 Ų59.99%0.08531%0.309CS..EExtended strand (participates in β ladder)trans-95.9135.5-171.8179.70000111.9W32 A33 H49 R50W32-V59 HydrophobicContact CE3-CG1 4.11Å; A33-V59 CarbonylContact O-C 3.52Å; A33-V59 VanDerWaalsContact O-CA 3.31Å; A33-V59 WeakPolarHBondContact O-CA 3.42Å; H49-V59 HydrophobicContact CB-CG2 3.58Å; R50-V59 HydrophobicContact CG-CB 4.15Å; R50-V59 HydrophobicContact CG-CG1 4.47Å; R50-V59 HydrophobicContact CG-CG2 4.12Å
60R98.6Very high97.8Very high48 Ų4863.4 Ų63.418%0.18133%0.327CS..EExtended strand (participates in β ladder)trans-132147.4174.2-70.2-63.5-159.9178.5-3.3111.8W32 A33 V35 F58 D65 W67 E71W32-R60 CarbonylContact C-O 3.59Å; W32-R60 WeakPolarHBondContact CA-O 3.42Å; A33-R60 PolarHBondContact N-O 3.14Å; A33-R60 PolarHBondContact O-N 3.29Å; V35-R60 HydrophobicContact CG2-CB 3.98Å; V35-R60 HydrophobicContact CG2-CG 3.56Å; F58-R60 HydrophobicContact CD1-CG 4.46Å; F58-R60 HydrophobicContact CE1-CG 4.07Å; R60-D65 HydrophobicContact CB-CB 4.36Å; R60-D65 IonicContact NH1-OD1 2.87Å; R60-D65 PolarHBondContact NH1-OD1 3.01Å; R60-W67 HydrophobicContact CB-CH2 3.81Å; R60-W67 HydrophobicContact CB-CZ2 3.54Å; R60-W67 HydrophobicContact CG-CH2 4.37Å; R60-W67 HydrophobicContact CG-CZ2 4.34Å; R60-E71 IonicContact CZ-OE1 3.22Å; R60-E71 IonicContact NE-OE1 3.86Å; R60-E71 IonicContact NE-OE2 3.67Å; R60-E71 IonicContact NH2-OE1 2.71Å; R60-E71 PolarHBondContact NH2-OE1 2.83Å; R60-E71 VanDerWaalsContact NH2-OE1 3.12Å
61S98.3Very high97.8Very high2 Ų258.1 Ų58.11%0.01431%0.308CS..EExtended strand (participates in β ladder)trans-78136.4162.8176.40000110.2S63 M64 D65 W67S61-S63 VanDerWaalsContact C-N 3.28Å; S61-S63 PolarHBondContact O-N 2.64Å; S61-S63 PolarHBondContact OG-N 2.83Å; S61-M64 WeakPolarHBondContact OG-CB 3.43Å; S61-M64 WeakPolarHBondContact OG-CE 3.39Å; S61-M64 PolarHBondContact OG-N 3.32Å; S61-M64 VanDerWaalsContact OG-N 3.11Å; S61-D65 WeakPolarHBondContact CB-OD2 3.28Å; S61-D65 PolarHBondContact N-OD2 3.08Å; S61-W67 PolarHBondContact O-NE1 3.45Å; S61-W67 VanDerWaalsContact O-NE1 3.12Å
62I98.2Very high97.8Very high16 Ų1654.8 Ų54.88%0.08227%0.273CS..THydrogen-bonded Turntrans-61.7-36.5178.2-62.6-63.4000111.8L10 Q31 A33 W40 W67L10-I62 HydrophobicContact CB-CG2 4.13Å; L10-I62 HydrophobicContact CD1-CD1 4.3Å; L10-I62 HydrophobicContact CD1-CG2 4.08Å; L10-I62 HydrophobicContact CD2-CD1 4.25Å; Q31-I62 WeakPolarHBondContact O-CG1 3.4Å; Q31-I62 PolarHBondContact O-N 2.92Å; A33-I62 HydrophobicContact CB-CD1 3.92Å; W40-I62 HydrophobicContact CD2-CD1 4.48Å; W40-I62 HydrophobicContact CE3-CD1 3.87Å; W40-I62 HydrophobicContact CE3-CG1 4.05Å; W40-I62 HydrophobicContact CH2-CD1 3.66Å; W40-I62 HydrophobicContact CH2-CG1 4.22Å; W40-I62 HydrophobicContact CH2-CG2 4.43Å; W40-I62 HydrophobicContact CZ2-CD1 4.28Å; W40-I62 HydrophobicContact CZ3-CD1 3.43Å; W40-I62 VanDerWaalsContact CZ3-CD1 3.43Å; W40-I62 HydrophobicContact CZ3-CG1 3.57Å; W40-I62 HydrophobicContact CZ3-CG2 4.25Å; I62-W67 HydrophobicContact CD1-CZ2 4.13Å
63S96.9Very high97.9Very high48 Ų4856.2 Ų56.234%0.33628%0.279SS..THydrogen-bonded Turntrans-108.3-33.6-174.659.80000114.1A2 S61A2-S63 PolarHBondContact N-O 2.96Å; S61-S63 VanDerWaalsContact C-N 3.28Å; S61-S63 PolarHBondContact O-N 2.64Å; S61-S63 PolarHBondContact OG-N 2.83Å
64M97.2Very high98Very high108 Ų10857 Ų5753%0.53228%0.276SS..THydrogen-bonded Turntrans-88.9-24.9-169.5-58.4-176.3-75.200113.3M1 W32 S61M1-M64 WeakPolarHBondContact CA-O 3.2Å; M1-M64 PolarHBondContact N-O 2.97Å; W32-M64 HydrophobicContact CH2-CE 3.72Å; W32-M64 HydrophobicContact CZ2-CE 3.57Å; S61-M64 WeakPolarHBondContact OG-CB 3.43Å; S61-M64 WeakPolarHBondContact OG-CE 3.39Å; S61-M64 PolarHBondContact OG-N 3.32Å; S61-M64 VanDerWaalsContact OG-N 3.11Å
65D97.9Very high98Very high39 Ų3951.7 Ų51.721%0.20924%0.243CC..SBendtrans-89.4154.1-177.9-84.2-68.9000113.9M1 A2 R60 S61M1-D65 CarbonylContact C-O 3.54Å; M1-D65 VanDerWaalsContact C-O 3.23Å; A2-D65 WeakPolarHBondContact CA-O 3.47Å; A2-D65 WeakPolarHBondContact CB-O 3.45Å; A2-D65 PolarHBondContact N-O 3.3Å; R60-D65 HydrophobicContact CB-CB 4.36Å; R60-D65 IonicContact NH1-OD1 2.87Å; R60-D65 PolarHBondContact NH1-OD1 3.01Å; S61-D65 WeakPolarHBondContact CB-OD2 3.28Å; S61-D65 PolarHBondContact N-OD2 3.08Å
66K97.8Very high98.1Very high164 Ų16448.9 Ų48.971%0.71323%0.229SC*.  trans-81.3133.2166-67.3-177.9-179.5-178.70108.3
67W98.2Very high98.2Very high26 Ų2650.8 Ų50.810%0.09824%0.241CC..  trans-107.6132.1-177.6-73.980.1000111.1L10 A33 V35 R60 S61 I62 E71 L72 M75L10-W67 HydrophobicContact CD1-CD2 4.04Å; L10-W67 HydrophobicContact CD1-CG 4.38Å; L10-W67 HydrophobicContact CD1-CZ2 3.91Å; L10-W67 HydrophobicContact CD2-CH2 4.32Å; L10-W67 HydrophobicContact CD2-CZ2 4.47Å; L10-W67 HydrophobicContact CD2-CZ3 4.49Å; A33-W67 HydrophobicContact CB-CH2 4.2Å; V35-W67 HydrophobicContact CG2-CH2 3.78Å; V35-W67 HydrophobicContact CG2-CZ3 3.65Å; R60-W67 HydrophobicContact CB-CH2 3.81Å; R60-W67 HydrophobicContact CB-CZ2 3.54Å; R60-W67 HydrophobicContact CG-CH2 4.37Å; R60-W67 HydrophobicContact CG-CZ2 4.34Å; S61-W67 PolarHBondContact O-NE1 3.45Å; S61-W67 VanDerWaalsContact O-NE1 3.12Å; I62-W67 HydrophobicContact CD1-CZ2 4.13Å; W67-E71 VanDerWaalsContact CA-OE2 3.31Å; W67-E71 WeakPolarHBondContact CA-OE2 3.41Å; W67-E71 HydrophobicContact CE3-CB 3.75Å; W67-E71 HydrophobicContact CZ3-CB 4.13Å; W67-L72 HydrophobicContact CB-CD2 4.11Å; W67-L72 HydrophobicContact CB-CG 4.22Å; W67-L72 HydrophobicContact CD2-CD2 4.16Å; W67-L72 HydrophobicContact CE3-CD2 3.91Å; W67-L72 HydrophobicContact CE3-CG 4.46Å; W67-L72 HydrophobicContact CG-CD2 4.26Å; W67-M75 HydrophobicContact CH2-CG 4Å; W67-M75 HydrophobicContact CH2-SD 4.26Å; W67-M75 HydrophobicContact CZ3-CG 3.62Å; W67-M75 HydrophobicContact CZ3-SD 4.32Å
68K97.8Very high98.2Very high141 Ų14150.7 Ų50.761%0.61324%0.241SC*.  trans-84.9157.6169.5-58.9179.7179.6-1790110.3L70 E71 L72K68-L70 PolarHBondContact O-N 3.05Å; K68-E71 HydrophobicContact CB-CB 4.44Å; K68-E71 HydrophobicContact CB-CG 3.95Å; K68-E71 PolarHBondContact N-OE2 3.03Å; K68-E71 WeakPolarHBondContact O-CB 3.45Å; K68-E71 PolarHBondContact O-N 3.21Å; K68-E71 VanDerWaalsContact O-N 3.14Å; K68-L72 PolarHBondContact O-N 3.29Å; K68-L72 VanDerWaalsContact O-N 3.09Å
69E97.8Very high98.1Very high77 Ų7747.5 Ų47.536%0.3623%0.227SC..Hα-helixtrans-61.2-43.8-180-173.660.6-146.200111.7R5 E71 L72 Q73R5-E69 IonicContact CZ-OE2 3.75Å; R5-E69 IonicContact NE-OE2 2.84Å; R5-E69 IonicContact NH2-OE1 3.65Å; R5-E69 IonicContact NH2-OE2 3.12Å; R5-E69 PolarHBondContact NH2-OE2 3.2Å; E69-E71 VanDerWaalsContact C-N 3.28Å; E69-E71 PolarHBondContact O-N 3.31Å; E69-L72 WeakPolarHBondContact O-CB 3.31Å; E69-L72 PolarHBondContact O-N 3.34Å; E69-Q73 WeakPolarHBondContact O-CG 3.47Å; E69-Q73 PolarHBondContact O-N 3.46Å; E69-Q73 PolarHBondContact OE1-NE2 2.86Å
70L98.1Very high98.1Very high73 Ų7347.2 Ų47.238%0.38222%0.224SC..Hα-helixtrans-60.5-36.7175.9-175.265.1000112.5K68 L72 Q73 K74 A119 E120K68-L70 PolarHBondContact O-N 3.05Å; L70-L72 VanDerWaalsContact C-N 3.33Å; L70-Q73 PolarHBondContact O-N 3.42Å; L70-K74 WeakPolarHBondContact O-CG 3.49Å; L70-K74 PolarHBondContact O-N 3.16Å; L70-A119 HydrophobicContact CD1-CB 4.17Å; L70-E120 HydrophobicContact CD1-CG 3.91Å
71E98.5Very high98.1Very high17 Ų1749.7 Ų49.78%0.07923%0.234CC..Hα-helixtrans-64.2-40.4175.7-62.1171.1168.900110.6V35 F58 R60 W67 K68 E69 K74 M75V35-E71 HydrophobicContact CG1-CB 3.72Å; V35-E71 HydrophobicContact CG1-CG 3.99Å; F58-E71 WeakPolarHBondContact CE1-OE1 3.39Å; R60-E71 IonicContact CZ-OE1 3.22Å; R60-E71 IonicContact NE-OE1 3.86Å; R60-E71 IonicContact NE-OE2 3.67Å; R60-E71 IonicContact NH2-OE1 2.71Å; R60-E71 PolarHBondContact NH2-OE1 2.83Å; R60-E71 VanDerWaalsContact NH2-OE1 3.12Å; W67-E71 VanDerWaalsContact CA-OE2 3.31Å; W67-E71 WeakPolarHBondContact CA-OE2 3.41Å; W67-E71 HydrophobicContact CE3-CB 3.75Å; W67-E71 HydrophobicContact CZ3-CB 4.13Å; K68-E71 HydrophobicContact CB-CB 4.44Å; K68-E71 HydrophobicContact CB-CG 3.95Å; K68-E71 PolarHBondContact N-OE2 3.03Å; K68-E71 WeakPolarHBondContact O-CB 3.45Å; K68-E71 PolarHBondContact O-N 3.21Å; K68-E71 VanDerWaalsContact O-N 3.14Å; E69-E71 VanDerWaalsContact C-N 3.28Å; E69-E71 PolarHBondContact O-N 3.31Å; E71-K74 PolarHBondContact O-N 2.71Å; E71-M75 WeakPolarHBondContact O-CG 3.49Å; E71-M75 PolarHBondContact O-N 2.86Å
72L98.5Very high98.1Very high3 Ų352.9 Ų52.92%0.01625%0.249CC..Hα-helixtrans-66.6-39.4174.2-65.8174.3000112.2V9 L10 W67 K68 E69 L70 M75 K76V9-L72 HydrophobicContact CG1-CD2 4.45Å; L10-L72 HydrophobicContact CD1-CD2 4.32Å; L10-L72 HydrophobicContact CD2-CD2 4.16Å; L10-L72 HydrophobicContact CG-CD2 4.04Å; W67-L72 HydrophobicContact CB-CD2 4.11Å; W67-L72 HydrophobicContact CB-CG 4.22Å; W67-L72 HydrophobicContact CD2-CD2 4.16Å; W67-L72 HydrophobicContact CE3-CD2 3.91Å; W67-L72 HydrophobicContact CE3-CG 4.46Å; W67-L72 HydrophobicContact CG-CD2 4.26Å; K68-L72 PolarHBondContact O-N 3.29Å; K68-L72 VanDerWaalsContact O-N 3.09Å; E69-L72 WeakPolarHBondContact O-CB 3.31Å; E69-L72 PolarHBondContact O-N 3.34Å; L70-L72 VanDerWaalsContact C-N 3.33Å; L72-M75 PolarHBondContact O-N 2.79Å; L72-K76 WeakPolarHBondContact O-CG 3.48Å; L72-K76 PolarHBondContact O-N 3.33Å
73Q98.5Very high98.1Very high56 Ų5652.1 Ų52.126%0.26225%0.245SC..Hα-helixtrans-63-42.4176.4-65.1-59.4-27.800111.4E69 L70 M75 K76 V77 A119E69-Q73 WeakPolarHBondContact O-CG 3.47Å; E69-Q73 PolarHBondContact O-N 3.46Å; E69-Q73 PolarHBondContact OE1-NE2 2.86Å; L70-Q73 PolarHBondContact O-N 3.42Å; Q73-M75 VanDerWaalsContact C-N 3.28Å; Q73-M75 PolarHBondContact O-N 2.63Å; Q73-K76 WeakPolarHBondContact O-CB 3.34Å; Q73-K76 PolarHBondContact O-N 3Å; Q73-V77 WeakPolarHBondContact O-CG2 3.34Å; Q73-V77 PolarHBondContact O-N 3.13Å; Q73-A119 HydrophobicContact CB-CB 4.02Å
74K98.7Very high98.1Very high39 Ų3952.9 Ų52.917%0.1725%0.245CC..Hα-helixtrans-56.4-41.4172.3-72.6-176.3174.3-169.10112.7V35 L70 E71 K76 G78 I115 A119V35-K74 HydrophobicContact CG1-CB 4.12Å; V35-K74 HydrophobicContact CG1-CD 4.01Å; L70-K74 WeakPolarHBondContact O-CG 3.49Å; L70-K74 PolarHBondContact O-N 3.16Å; E71-K74 PolarHBondContact O-N 2.71Å; K74-K76 VanDerWaalsContact C-N 3.34Å; K74-K76 PolarHBondContact O-N 2.9Å; K74-G78 PolarHBondContact O-N 2.88Å; K74-G78 VanDerWaalsContact O-N 3.15Å; K74-I115 HydrophobicContact CB-CG2 3.81Å; K74-I115 HydrophobicContact CD-CG2 4.22Å; K74-I115 HydrophobicContact CG-CG2 3.79Å; K74-A119 HydrophobicContact CB-CB 4.35Å; K74-A119 HydrophobicContact CG-CB 3.57Å
75M98.6Very high98.2Very high0 Ų052.4 Ų52.40%024%0.241CC..Hα-helixtrans-67.9-31.3175.4-63.5-55.3-55.200113.1L10 L13 A33 W67 E71 L72 Q73L10-M75 HydrophobicContact CD2-CB 4.34Å; L10-M75 HydrophobicContact CD2-CG 4.18Å; L13-M75 HydrophobicContact CD1-CB 3.79Å; A33-M75 HydrophobicContact CB-CE 3.79Å; A33-M75 HydrophobicContact CB-SD 4.02Å; W67-M75 HydrophobicContact CH2-CG 4Å; W67-M75 HydrophobicContact CH2-SD 4.26Å; W67-M75 HydrophobicContact CZ3-CG 3.62Å; W67-M75 HydrophobicContact CZ3-SD 4.32Å; E71-M75 WeakPolarHBondContact O-CG 3.49Å; E71-M75 PolarHBondContact O-N 2.86Å; L72-M75 PolarHBondContact O-N 2.79Å; Q73-M75 VanDerWaalsContact C-N 3.28Å; Q73-M75 PolarHBondContact O-N 2.63Å
76K98.1Very high98.2Very high84 Ų8451.4 Ų51.437%0.36524%0.235SC..Hα-helixtrans-72.2-38.5177.9-70.8172.3-175.2172.80112.9V9 L13 L72 Q73 K74V9-K76 HydrophobicContact CG1-CG 4.43Å; L13-K76 HydrophobicContact CD1-CG 3.94Å; L13-K76 HydrophobicContact CD2-CB 4.42Å; L13-K76 HydrophobicContact CD2-CG 4.14Å; L72-K76 WeakPolarHBondContact O-CG 3.48Å; L72-K76 PolarHBondContact O-N 3.33Å; Q73-K76 WeakPolarHBondContact O-CB 3.34Å; Q73-K76 PolarHBondContact O-N 3Å; K74-K76 VanDerWaalsContact C-N 3.34Å; K74-K76 PolarHBondContact O-N 2.9Å
77V97.9Very high98.2Very high42 Ų4243.9 Ų43.926%0.25520%0.202SC..Hα-helixtrans-86.4-13.5-177-55.60000113.2Q73 Q82 I115 V118 A119Q73-V77 WeakPolarHBondContact O-CG2 3.34Å; Q73-V77 PolarHBondContact O-N 3.13Å; V77-Q82 PolarHBondContact O-OE1 3.25Å; V77-I115 HydrophobicContact CG2-CD1 4.03Å; V77-I115 HydrophobicContact CG2-CG2 4.33Å; V77-V118 HydrophobicContact CB-CB 4.45Å; V77-V118 HydrophobicContact CB-CG1 3.94Å; V77-V118 HydrophobicContact CG1-CG1 3.81Å; V77-V118 HydrophobicContact CG2-CB 4.47Å; V77-V118 HydrophobicContact CG2-CG1 4.47Å; V77-A119 HydrophobicContact CG2-CB 4.07Å
78G98.1Very high98.2Very high1 Ų149.3 Ų49.31%0.0122%0.223CC..  trans-100.6-161.5173.400000113.5K74 Q82K74-G78 PolarHBondContact O-N 2.88Å; K74-G78 VanDerWaalsContact O-N 3.15Å; G78-Q82 PolarHBondContact O-OE1 2.84Å
79G98.3Very high98.1Very high0 Ų046.4 Ų46.40%022%0.22CC..  trans150.6156.5177.100000110.8N19 G38 R81 Q82 C83N19-G79 WeakPolarHBondContact OD1-CA 3.49Å; G38-G79 VanDerWaalsContact O-CA 3.29Å; G38-G79 WeakPolarHBondContact O-CA 3.34Å; G38-G79 PolarHBondContact O-N 3.12Å; G79-R81 PolarHBondContact O-N 2.94Å; G79-Q82 PolarHBondContact O-N 3.27Å; G79-C83 WeakPolarHBondContact O-CB 3.36Å; G79-C83 PolarHBondContact O-N 2.93Å
80N98.6Very high98.1Very high7 Ų743.5 Ų43.54%0.03721%0.207CC..Hα-helixtrans-56.9-52.4-175-73-4.9000111.7N17 D18 N19 V21 F23 I39 W40 Q82 C83 L84N17-N80 WeakPolarHBondContact O-CB 2.87Å; N17-N80 PolarHBondContact O-N 2.91Å; D18-N80 PolarHBondContact O-ND2 3.26Å; N19-N80 PolarHBondContact OD1-N 3.09Å; V21-N80 PolarHBondContact O-ND2 2.86Å; F23-N80 HydrophobicContact CD2-CB 3.96Å; F23-N80 WeakPolarHBondContact CE2-O 3.11Å; I39-N80 WeakPolarHBondContact CA-OD1 3.42Å; I39-N80 WeakPolarHBondContact CB-OD1 3.5Å; W40-N80 PolarHBondContact N-OD1 2.84Å; N80-Q82 PolarHBondContact O-N 2.93Å; N80-C83 PolarHBondContact O-N 3.49Å; N80-L84 WeakPolarHBondContact O-CB 3.38Å; N80-L84 PolarHBondContact O-N 3.12Å
81R98.3Very high97.9Very high100 Ų10046.2 Ų46.238%0.37723%0.229SC..Hα-helixtrans-60.5-44.1179.1-17317360.7793.3112.8N17 G79 C83 L84 E85N17-R81 HydrophobicContact CB-CB 4.16Å; N17-R81 PolarHBondContact O-N 3.45Å; N17-R81 PolarHBondContact OD1-NH2 2.93Å; G79-R81 PolarHBondContact O-N 2.94Å; R81-C83 PolarHBondContact O-N 3.39Å; R81-L84 PolarHBondContact O-N 3.4Å; R81-E85 HydrophobicContact CG-CG 4.35Å; R81-E85 VanDerWaalsContact CG-OE1 3.25Å; R81-E85 WeakPolarHBondContact CG-OE1 3.35Å; R81-E85 IonicContact CZ-OE1 2.7Å; R81-E85 IonicContact NH1-OE1 2.81Å; R81-E85 PolarHBondContact NH1-OE1 3.04Å; R81-E85 IonicContact NH1-OE2 2.75Å; R81-E85 PolarHBondContact NH1-OE2 3.38Å; R81-E85 WeakPolarHBondContact O-CB 3.08Å; R81-E85 VanDerWaalsContact O-CG 3.32Å; R81-E85 WeakPolarHBondContact O-CG 2.99Å; R81-E85 PolarHBondContact O-N 3.49Å
82Q97.9Very high97.7Very high70 Ų7047.9 Ų47.933%0.32724%0.238SC..Hα-helixtrans-64.4-39.1179.4-69.3-179.2-19.700112.5V77 G78 G79 N80 F86V77-Q82 PolarHBondContact O-OE1 3.25Å; G78-Q82 PolarHBondContact O-OE1 2.84Å; G79-Q82 PolarHBondContact O-N 3.27Å; N80-Q82 PolarHBondContact O-N 2.93Å; Q82-F86 VanDerWaalsContact O-CB 3.29Å; Q82-F86 WeakPolarHBondContact O-CB 3.22Å; Q82-F86 PolarHBondContact O-N 3.09Å
83C98.5Very high97.6Very high0 Ų051.7 Ų51.70%025%0.253CS..Hα-helixtrans-64.7-45175.1-176.40000110.9F23 I39 G79 N80 R81 F86 I87 Y111F23-C83 HydrophobicContact CE2-CB 3.86Å; F23-C83 HydrophobicContact CZ-CB 4.12Å; I39-C83 HydrophobicContact CG2-CB 3.51Å; G79-C83 WeakPolarHBondContact O-CB 3.36Å; G79-C83 PolarHBondContact O-N 2.93Å; N80-C83 PolarHBondContact O-N 3.49Å; R81-C83 PolarHBondContact O-N 3.39Å; C83-F86 PolarHBondContact O-N 3.32Å; C83-I87 WeakPolarHBondContact O-CB 3.35Å; C83-I87 WeakPolarHBondContact O-CG1 3.47Å; C83-I87 PolarHBondContact O-N 3.12Å; C83-Y111 VanDerWaalsContact CA-CZ 3.49Å; C83-Y111 WeakPolarHBondContact CA-OH 3.29Å; C83-Y111 HydrophobicContact CB-CD1 4.29Å; C83-Y111 HydrophobicContact CB-CE1 3.44Å; C83-Y111 VanDerWaalsContact CB-CE1 3.44Å; C83-Y111 PolarHBondContact N-OH 3.45Å; C83-Y111 WeakPolarHBondContact SG-CE1 3.33Å
84L97.6Very high97.4Very high63 Ų6352.2 Ų52.233%0.3326%0.258SS..Hα-helixtrans-61.9-48.1178.7-174.563.6000111.9F23 N80 R81 I87 R88F23-L84 HydrophobicContact CE2-CB 4.02Å; N80-L84 WeakPolarHBondContact O-CB 3.38Å; N80-L84 PolarHBondContact O-N 3.12Å; R81-L84 PolarHBondContact O-N 3.4Å; L84-I87 PolarHBondContact O-N 2.82Å; L84-R88 WeakPolarHBondContact O-CB 3.23Å; L84-R88 VanDerWaalsContact O-CG 3.29Å; L84-R88 WeakPolarHBondContact O-CG 3.28Å; L84-R88 PolarHBondContact O-N 3.27Å
85E98.1Very high97.2Very high99 Ų9954.7 Ų54.746%0.46328%0.278SS..Hα-helixtrans-60.9-44.2177.4-74.1169.6-177.100111.4R81 R88 S89R81-E85 HydrophobicContact CG-CG 4.35Å; R81-E85 VanDerWaalsContact CG-OE1 3.25Å; R81-E85 WeakPolarHBondContact CG-OE1 3.35Å; R81-E85 IonicContact CZ-OE1 2.7Å; R81-E85 IonicContact NH1-OE1 2.81Å; R81-E85 PolarHBondContact NH1-OE1 3.04Å; R81-E85 IonicContact NH1-OE2 2.75Å; R81-E85 PolarHBondContact NH1-OE2 3.38Å; R81-E85 WeakPolarHBondContact O-CB 3.08Å; R81-E85 VanDerWaalsContact O-CG 3.32Å; R81-E85 WeakPolarHBondContact O-CG 2.99Å; R81-E85 PolarHBondContact O-N 3.49Å; E85-R88 PolarHBondContact O-N 3.32Å; E85-S89 PolarHBondContact O-N 3.45Å; E85-S89 VanDerWaalsContact O-N 3.12Å
86F98.2Very high97.1Very high17 Ų1761.6 Ų61.68%0.07532%0.315CS..Hα-helixtrans-64.8-47.9178.7-176.1-87.8000112Q82 C83 R88 S89 Q90 L110 Y111 K114 W124Q82-F86 VanDerWaalsContact O-CB 3.29Å; Q82-F86 WeakPolarHBondContact O-CB 3.22Å; Q82-F86 PolarHBondContact O-N 3.09Å; C83-F86 PolarHBondContact O-N 3.32Å; F86-R88 VanDerWaalsContact C-N 3.3Å; F86-R88 PolarHBondContact O-N 2.92Å; F86-S89 PolarHBondContact O-N 2.99Å; F86-S89 PolarHBondContact O-OG 2.91Å; F86-Q90 HydrophobicContact CD1-CG 4.35Å; F86-Q90 HydrophobicContact CE1-CG 4.05Å; F86-Q90 WeakPolarHBondContact O-CG 3.29Å; F86-Q90 PolarHBondContact O-NE2 3.12Å; F86-L110 HydrophobicContact CE1-CB 4.08Å; F86-L110 HydrophobicContact CZ-CB 4.01Å; F86-Y111 HydrophobicContact CB-CD2 3.77Å; F86-Y111 HydrophobicContact CB-CE2 3.89Å; F86-Y111 AromaticContact CD1-CD2 3.38Å; F86-Y111 HydrophobicContact CD1-CD2 3.38Å; F86-Y111 HydrophobicContact CD1-CE2 4.35Å; F86-Y111 AromaticContact CD1-CG 3.75Å; F86-Y111 HydrophobicContact CD1-CG 3.75Å; F86-Y111 HydrophobicContact CD2-CD2 4.05Å; F86-Y111 AromaticContact CE1-CD2 3.94Å; F86-Y111 HydrophobicContact CE1-CD2 3.94Å; F86-Y111 HydrophobicContact CE1-CG 4.2Å; F86-Y111 AromaticContact CG-CD2 3.43Å; F86-Y111 HydrophobicContact CG-CD2 3.43Å; F86-Y111 VanDerWaalsContact CG-CD2 3.43Å; F86-Y111 HydrophobicContact CG-CE2 4.01Å; F86-Y111 HydrophobicContact CG-CG 4.25Å; F86-Y111 HydrophobicContact CZ-CD2 4.46Å; F86-K114 HydrophobicContact CD2-CD 3.98Å; F86-K114 HydrophobicContact CE2-CD 3.77Å; F86-K114 HydrophobicContact CZ-CD 4.47Å; F86-W124 AromaticContact CE2-CH2 3.66Å; F86-W124 HydrophobicContact CE2-CH2 3.66Å; F86-W124 AromaticContact CE2-CZ3 3.97Å; F86-W124 HydrophobicContact CE2-CZ3 3.97Å; F86-W124 AromaticContact CZ-CH2 3.69Å; F86-W124 HydrophobicContact CZ-CH2 3.69Å; F86-W124 HydrophobicContact CZ-CZ2 4.35Å; F86-W124 HydrophobicContact CZ-CZ3 4.45Å
87I97.6Very high96.9Very high6 Ų660.4 Ų60.43%0.03131%0.308CS..Hα-helixtrans-62.2-41.3-179.3-71.1173.7000110.4F23 C83 L84 S89 Q90 Y93 W97 W103F23-I87 HydrophobicContact CZ-CD1 4.47Å; C83-I87 WeakPolarHBondContact O-CB 3.35Å; C83-I87 WeakPolarHBondContact O-CG1 3.47Å; C83-I87 PolarHBondContact O-N 3.12Å; L84-I87 PolarHBondContact O-N 2.82Å; I87-S89 VanDerWaalsContact C-N 3.27Å; I87-S89 PolarHBondContact O-N 3.05Å; I87-Q90 PolarHBondContact O-N 3.2Å; I87-Y93 HydrophobicContact CG2-CD2 3.87Å; I87-Y93 HydrophobicContact CG2-CE2 4.26Å; I87-W97 HydrophobicContact CG2-CZ3 3.95Å; I87-W103 HydrophobicContact CD1-CH2 4.23Å; I87-W103 HydrophobicContact CD1-CZ3 4.08Å
88R97.6Very high96.8Very high141 Ų14161 Ų6153%0.53231%0.314SS..Hα-helixtrans-67.2-24.3178.4-76.2177174.9172.60.4114L84 E85 F86 Q90 Y93L84-R88 WeakPolarHBondContact O-CB 3.23Å; L84-R88 VanDerWaalsContact O-CG 3.29Å; L84-R88 WeakPolarHBondContact O-CG 3.28Å; L84-R88 PolarHBondContact O-N 3.27Å; E85-R88 PolarHBondContact O-N 3.32Å; F86-R88 VanDerWaalsContact C-N 3.3Å; F86-R88 PolarHBondContact O-N 2.92Å; R88-Q90 VanDerWaalsContact C-N 3.33Å; R88-Y93 HydrophobicContact CG-CD2 4.26Å; R88-Y93 HydrophobicContact CG-CE1 4.18Å; R88-Y93 HydrophobicContact CG-CE2 3.71Å
89S97.3Very high96.7Very high80 Ų8063.9 Ų63.956%0.55933%0.327SS*.THydrogen-bonded Turntrans-83.7-8.817974.20000113.8E85 F86 I87E85-S89 PolarHBondContact O-N 3.45Å; E85-S89 VanDerWaalsContact O-N 3.12Å; F86-S89 PolarHBondContact O-N 2.99Å; F86-S89 PolarHBondContact O-OG 2.91Å; I87-S89 VanDerWaalsContact C-N 3.27Å; I87-S89 PolarHBondContact O-N 3.05Å
90Q96.6Very high96.6Very high15 Ų1566.6 Ų66.67%0.0735%0.345CS..SBendtrans-80.7146-179.3-60-51.2-69.300112F86 I87 R88 D92 Y93 A107F86-Q90 HydrophobicContact CD1-CG 4.35Å; F86-Q90 HydrophobicContact CE1-CG 4.05Å; F86-Q90 WeakPolarHBondContact O-CG 3.29Å; F86-Q90 PolarHBondContact O-NE2 3.12Å; I87-Q90 PolarHBondContact O-N 3.2Å; R88-Q90 VanDerWaalsContact C-N 3.33Å; Q90-D92 VanDerWaalsContact C-N 3.26Å; Q90-D92 VanDerWaalsContact CB-OD1 3.31Å; Q90-D92 WeakPolarHBondContact CB-OD1 3.4Å; Q90-D92 PolarHBondContact O-N 3.39Å; Q90-Y93 VanDerWaalsContact O-CB 3.23Å; Q90-Y93 WeakPolarHBondContact O-CB 3.29Å; Q90-Y93 PolarHBondContact O-N 2.98Å; Q90-Y93 VanDerWaalsContact O-N 3.13Å; Q90-A107 HydrophobicContact CB-CB 3.64Å; Q90-A107 HydrophobicContact CG-CB 3.55Å
91P94.9Very high96.5Very high131 Ų13170.3 Ų70.385%0.85137%0.365SS*.THydrogen-bonded Turntrans-67.1-24.5-177.626.9-35.6000113.8Y93P91-Y93 VanDerWaalsContact C-N 3.29Å
92D93.3Very high96.4Very high52 Ų5267.4 Ų67.428%0.27836%0.355SS..THydrogen-bonded Turntrans-83-2.1176.561.8-43.4000113.3Q90 N94 W97 K106 A107Q90-D92 VanDerWaalsContact C-N 3.26Å; Q90-D92 VanDerWaalsContact CB-OD1 3.31Å; Q90-D92 WeakPolarHBondContact CB-OD1 3.4Å; Q90-D92 PolarHBondContact O-N 3.39Å; D92-N94 PolarHBondContact O-N 3.39Å; D92-W97 HydrophobicContact CB-CZ2 4.46Å; D92-W97 WeakPolarHBondContact O-CH2 3.38Å; D92-W97 WeakPolarHBondContact O-CZ2 3.34Å; D92-K106 WeakPolarHBondContact OD2-CB 3.42Å; D92-K106 PolarHBondContact OD2-N 3.47Å; D92-K106 VanDerWaalsContact OD2-N 3.15Å; D92-A107 WeakPolarHBondContact OD1-CB 3.41Å; D92-A107 PolarHBondContact OD2-N 2.88Å
93Y96.2Very high96.4Very high82 Ų8264 Ų6432%0.32234%0.34SS..  trans-53.5125.5-177.3176-109.1000112.7I87 R88 Q90 P91 P95 W97I87-Y93 HydrophobicContact CG2-CD2 3.87Å; I87-Y93 HydrophobicContact CG2-CE2 4.26Å; R88-Y93 HydrophobicContact CG-CD2 4.26Å; R88-Y93 HydrophobicContact CG-CE1 4.18Å; R88-Y93 HydrophobicContact CG-CE2 3.71Å; Q90-Y93 VanDerWaalsContact O-CB 3.23Å; Q90-Y93 WeakPolarHBondContact O-CB 3.29Å; Q90-Y93 PolarHBondContact O-N 2.98Å; Q90-Y93 VanDerWaalsContact O-N 3.13Å; P91-Y93 VanDerWaalsContact C-N 3.29Å; Y93-P95 HydrophobicContact CE1-CB 4.32Å; Y93-W97 HydrophobicContact CD2-CZ3 4.16Å
94N95.2Very high96.3Very high67 Ų6765.2 Ų65.236%0.35835%0.346SS..  trans-129.8119.7172.4-173.3-20.4000110.2D92 N96 W97D92-N94 PolarHBondContact O-N 3.39Å; N94-N96 PolarHBondContact O-N 3.13Å; N94-N96 WeakPolarHBondContact OD1-CB 3.47Å; N94-N96 PolarHBondContact OD1-N 3.11Å; N94-W97 HydrophobicContact CB-CD2 3.86Å; N94-W97 HydrophobicContact CB-CG 3.89Å; N94-W97 HydrophobicContact CB-CZ2 4.36Å; N94-W97 PolarHBondContact O-N 3.23Å
95P94.4Very high96.2Very high92 Ų9262.4 Ų62.460%0.59733%0.332SS*.THydrogen-bonded Turntrans-65.2-20.3178.727.2-35000113.4Y93Y93-P95 HydrophobicContact CE1-CB 4.32Å
96N95.6Very high96.1Very high145 Ų14560.7 Ų60.778%0.77532%0.322SS*.THydrogen-bonded Turntrans-99.416.4-177.4-60.1-35.5000113N94 S98N94-N96 PolarHBondContact O-N 3.13Å; N94-N96 WeakPolarHBondContact OD1-CB 3.47Å; N94-N96 PolarHBondContact OD1-N 3.11Å; N96-S98 PolarHBondContact O-N 3.09Å
97W94.5Very high96.1Very high59 Ų5959.9 Ų59.922%0.22332%0.319CS..  trans-57.9139.1174.8-82.8-35.4000111.8I87 D92 Y93 N94 D101 K102 A107I87-W97 HydrophobicContact CG2-CZ3 3.95Å; D92-W97 HydrophobicContact CB-CZ2 4.46Å; D92-W97 WeakPolarHBondContact O-CH2 3.38Å; D92-W97 WeakPolarHBondContact O-CZ2 3.34Å; Y93-W97 HydrophobicContact CD2-CZ3 4.16Å; N94-W97 HydrophobicContact CB-CD2 3.86Å; N94-W97 HydrophobicContact CB-CG 3.89Å; N94-W97 HydrophobicContact CB-CZ2 4.36Å; N94-W97 PolarHBondContact O-N 3.23Å; W97-D101 HydrophobicContact CB-CB 4.37Å; W97-D101 HydrophobicContact CG-CB 4.28Å; W97-K102 HydrophobicContact CB-CB 3.95Å; W97-K102 HydrophobicContact CD2-CB 4.38Å; W97-K102 HydrophobicContact CE3-CB 3.98Å; W97-K102 HydrophobicContact CE3-CG 4.05Å; W97-K102 HydrophobicContact CG-CB 4.44Å; W97-A107 HydrophobicContact CH2-CB 4.16Å
98S96.3Very high96.1Very high55 Ų5559.6 Ų59.639%0.38532%0.317SS..  trans-63.4159161.281.30000109.8N96 S100 D101 K102N96-S98 PolarHBondContact O-N 3.09Å; S98-S100 PolarHBondContact O-N 3.41Å; S98-D101 WeakPolarHBondContact CB-OD2 3.43Å; S98-D101 PolarHBondContact O-N 2.96Å; S98-D101 VanDerWaalsContact O-N 3.16Å; S98-D101 PolarHBondContact OG-N 3.28Å; S98-D101 VanDerWaalsContact OG-N 3.16Å; S98-D101 PolarHBondContact OG-OD2 3.02Å; S98-K102 PolarHBondContact O-N 2.95Å
99F96.2Very high96.1Very high61 Ų6153 Ų5327%0.26829%0.293SS..Hα-helixtrans-53.9-38.3176.8177.3-96.7000112.3E24 K48 H49 L52 W103E24-F99 HydrophobicContact CG-CE2 4.22Å; K48-F99 HydrophobicContact CB-CD1 4.36Å; K48-F99 HydrophobicContact CB-CE1 3.7Å; K48-F99 HydrophobicContact CB-CE2 4.22Å; K48-F99 HydrophobicContact CB-CZ 3.62Å; H49-F99 AromaticContact CD2-CE2 3.88Å; H49-F99 AromaticContact CD2-CZ 3.62Å; H49-F99 AromaticContact NE2-CE2 3.79Å; H49-F99 AromaticContact NE2-CZ 3.89Å; L52-F99 HydrophobicContact CD1-CE1 3.71Å; L52-F99 HydrophobicContact CD1-CZ 3.87Å; L52-F99 HydrophobicContact CD2-CD1 4.19Å; L52-F99 HydrophobicContact CD2-CE1 3.81Å; L52-F99 HydrophobicContact CG-CE1 3.74Å; L52-F99 HydrophobicContact CG-CZ 4.36Å; F99-W103 AromaticContact CE2-CD1 3.7Å; F99-W103 AromaticContact CE2-NE1 3.52Å; F99-W103 AromaticContact CZ-CD1 3.83Å; F99-W103 AromaticContact CZ-NE1 3.99Å; F99-W103 VanDerWaalsContact O-CD1 3.25Å
100S95.7Very high96.1Very high56 Ų5649.3 Ų49.339%0.39227%0.267SS..Hα-helixtrans-71-45.2178.3-171.40000111.9S98 K102 W103 N104S98-S100 PolarHBondContact O-N 3.41Å; S100-K102 PolarHBondContact O-N 3.16Å; S100-W103 PolarHBondContact O-N 2.61Å; S100-N104 WeakPolarHBondContact O-CB 3.43Å; S100-N104 PolarHBondContact O-N 3.33Å; S100-N104 PolarHBondContact O-ND2 2.93Å; S100-N104 PolarHBondContact OG-ND2 3.15Å
101D95.8Very high96.2Very high86 Ų8648.7 Ų48.746%0.4626%0.264SS..Hα-helixtrans-65.5-41.2-176.9-57.9-35.4000111.3W97 S98 W103 N104 S105W97-D101 HydrophobicContact CB-CB 4.37Å; W97-D101 HydrophobicContact CG-CB 4.28Å; S98-D101 WeakPolarHBondContact CB-OD2 3.43Å; S98-D101 PolarHBondContact O-N 2.96Å; S98-D101 VanDerWaalsContact O-N 3.16Å; S98-D101 PolarHBondContact OG-N 3.28Å; S98-D101 VanDerWaalsContact OG-N 3.16Å; S98-D101 PolarHBondContact OG-OD2 3.02Å; D101-W103 VanDerWaalsContact C-N 3.33Å; D101-W103 PolarHBondContact O-N 3.44Å; D101-N104 CarbonylContact O-C 3.23Å; D101-N104 PolarHBondContact O-N 3.49Å; D101-S105 WeakPolarHBondContact O-CB 3.46Å; D101-S105 PolarHBondContact O-N 3.2Å
102K97.2Very high96.3Very high38 Ų3843.9 Ų43.917%0.16523%0.229CC..Hα-helixtrans-53-49.5175.8176.4-178173.2-174.70111.5F23 E24 W97 S98 S100 S105 A108F23-K102 VanDerWaalsContact CE1-NZ 3.29Å; E24-K102 IonicContact OE1-NZ 3.77Å; E24-K102 IonicContact OE2-NZ 3.4Å; E24-K102 PolarHBondContact OE2-NZ 3.21Å; W97-K102 HydrophobicContact CB-CB 3.95Å; W97-K102 HydrophobicContact CD2-CB 4.38Å; W97-K102 HydrophobicContact CE3-CB 3.98Å; W97-K102 HydrophobicContact CE3-CG 4.05Å; W97-K102 HydrophobicContact CG-CB 4.44Å; S98-K102 PolarHBondContact O-N 2.95Å; S100-K102 PolarHBondContact O-N 3.16Å; K102-S105 WeakPolarHBondContact O-CB 3.33Å; K102-S105 PolarHBondContact O-N 3.27Å; K102-S105 PolarHBondContact O-OG 3.19Å; K102-A108 WeakPolarHBondContact O-CB 3.38Å
103W97.6Very high96.6Very high0 Ų042.7 Ų42.70%022%0.223CC..Hα-helixtrans-85.3-14.8-173.9-67.5120.6000114.4F23 E24 Y37 I39 H49 L52 I56 I87 F99 S100 D101 A108 R112F23-W103 HydrophobicContact CD1-CH2 4.25Å; F23-W103 AromaticContact CD1-CZ2 3.9Å; F23-W103 HydrophobicContact CD1-CZ2 3.9Å; F23-W103 AromaticContact CE1-CH2 3.61Å; F23-W103 HydrophobicContact CE1-CH2 3.61Å; F23-W103 AromaticContact CE1-CZ2 3.52Å; F23-W103 HydrophobicContact CE1-CZ2 3.52Å; F23-W103 HydrophobicContact CZ-CH2 4.34Å; E24-W103 WeakPolarHBondContact OE1-CZ2 3.33Å; E24-W103 PolarHBondContact OE1-NE1 3.25Å; Y37-W103 HydrophobicContact CD1-CE3 4.18Å; Y37-W103 HydrophobicContact CD1-CH2 4.44Å; Y37-W103 AromaticContact CD1-CZ3 3.59Å; Y37-W103 HydrophobicContact CD1-CZ3 3.59Å; Y37-W103 HydrophobicContact CD2-CE3 4.04Å; Y37-W103 HydrophobicContact CD2-CH2 4Å; Y37-W103 AromaticContact CD2-CZ3 3.64Å; Y37-W103 HydrophobicContact CD2-CZ3 3.64Å; Y37-W103 AromaticContact CE1-CE3 3.57Å; Y37-W103 HydrophobicContact CE1-CE3 3.57Å; Y37-W103 AromaticContact CE1-CZ3 3.47Å; Y37-W103 HydrophobicContact CE1-CZ3 3.47Å; Y37-W103 VanDerWaalsContact CE1-CZ3 3.47Å; Y37-W103 HydrophobicContact CE2-CD2 4.12Å; Y37-W103 AromaticContact CE2-CE3 3.5Å; Y37-W103 HydrophobicContact CE2-CE3 3.5Å; Y37-W103 HydrophobicContact CE2-CH2 4.28Å; Y37-W103 AromaticContact CE2-CZ3 3.61Å; Y37-W103 HydrophobicContact CE2-CZ3 3.61Å; Y37-W103 HydrophobicContact CG-CE3 4.37Å; Y37-W103 HydrophobicContact CG-CH2 4.1Å; Y37-W103 AromaticContact CG-CZ3 3.65Å; Y37-W103 HydrophobicContact CG-CZ3 3.65Å; Y37-W103 AromaticContact CZ-CE3 3.23Å; Y37-W103 AromaticContact CZ-CZ3 3.52Å; I39-W103 HydrophobicContact CD1-CH2 3.63Å; I39-W103 HydrophobicContact CD1-CZ2 3.68Å; H49-W103 AromaticContact CE1-CE2 3.49Å; H49-W103 VanDerWaalsContact CE1-CE2 3.49Å; H49-W103 AromaticContact CE1-CZ2 3.65Å; H49-W103 AromaticContact CE1-NE1 3.44Å; H49-W103 PolarHBondContact CE1-NE1 3.09Å; H49-W103 AromaticContact NE2-NE1 3.66Å; L52-W103 HydrophobicContact CD1-CB 3.7Å; L52-W103 HydrophobicContact CD1-CG 3.83Å; I56-W103 HydrophobicContact CG2-CB 4.02Å; I87-W103 HydrophobicContact CD1-CH2 4.23Å; I87-W103 HydrophobicContact CD1-CZ3 4.08Å; F99-W103 AromaticContact CE2-CD1 3.7Å; F99-W103 AromaticContact CE2-NE1 3.52Å; F99-W103 AromaticContact CZ-CD1 3.83Å; F99-W103 AromaticContact CZ-NE1 3.99Å; F99-W103 VanDerWaalsContact O-CD1 3.25Å; S100-W103 PolarHBondContact O-N 2.61Å; D101-W103 VanDerWaalsContact C-N 3.33Å; D101-W103 PolarHBondContact O-N 3.44Å; W103-A108 HydrophobicContact CE3-CB 3.98Å; W103-R112 PolarHBondContact O-NH1 3Å
104N96Very high96.7Very high25 Ų2542 Ų4213%0.13422%0.221CC..Hα-helixtrans-92.4-6.8169.1-73.3-67000113.7S100 D101 W134 P136S100-N104 WeakPolarHBondContact O-CB 3.43Å; S100-N104 PolarHBondContact O-N 3.33Å; S100-N104 PolarHBondContact O-ND2 2.93Å; S100-N104 PolarHBondContact OG-ND2 3.15Å; D101-N104 CarbonylContact O-C 3.23Å; D101-N104 PolarHBondContact O-N 3.49Å; N104-W134 PolarHBondContact O-NE1 2.85Å; N104-P136 WeakPolarHBondContact O-CA 3.29Å; N104-P136 WeakPolarHBondContact O-CB 3.43Å; N104-P136 WeakPolarHBondContact O-CG 3.09Å
105S96.2Very high96.8Very high4 Ų439 Ų393%0.02821%0.205CC..SBendtrans-59.4161.6177.669.60000113.2D101 K102 A107 A108 A109D101-S105 WeakPolarHBondContact O-CB 3.46Å; D101-S105 PolarHBondContact O-N 3.2Å; K102-S105 WeakPolarHBondContact O-CB 3.33Å; K102-S105 PolarHBondContact O-N 3.27Å; K102-S105 PolarHBondContact O-OG 3.19Å; S105-A107 VanDerWaalsContact C-N 3.32Å; S105-A108 PolarHBondContact O-N 2.96Å; S105-A108 WeakPolarHBondContact OG-CB 3.34Å; S105-A108 PolarHBondContact OG-N 3.12Å; S105-A109 PolarHBondContact O-N 3.11Å
106K96.4Very high97Very high62 Ų6237.1 Ų37.127%0.2719%0.19SC..Hα-helixtrans-66.4-38.5172.4177173.8170.7171.10110.4D92 A108 A109 L110 Q132D92-K106 WeakPolarHBondContact OD2-CB 3.42Å; D92-K106 PolarHBondContact OD2-N 3.47Å; D92-K106 VanDerWaalsContact OD2-N 3.15Å; K106-A108 VanDerWaalsContact C-N 3.34Å; K106-A108 PolarHBondContact O-N 3.44Å; K106-A109 WeakPolarHBondContact O-CB 3.14Å; K106-A109 PolarHBondContact O-N 2.96Å; K106-A109 VanDerWaalsContact O-N 3.12Å; K106-L110 HydrophobicContact CG-CD1 4.08Å; K106-L110 HydrophobicContact CG-CG 4.34Å; K106-L110 WeakPolarHBondContact O-CG 3.32Å; K106-L110 PolarHBondContact O-N 3.32Å; K106-Q132 WeakPolarHBondContact CE-O 3.44Å; K106-Q132 VanDerWaalsContact CE-OE1 3.27Å; K106-Q132 PolarHBondContact NZ-O 3.02Å
107A97.3Very high97.1Very high0 Ų030.2 Ų30.20%015%0.153CC..Hα-helixtrans-53.1-48.9173.400000112.8Q90 D92 W97 S105 A109 L110 Y111Q90-A107 HydrophobicContact CB-CB 3.64Å; Q90-A107 HydrophobicContact CG-CB 3.55Å; D92-A107 WeakPolarHBondContact OD1-CB 3.41Å; D92-A107 PolarHBondContact OD2-N 2.88Å; W97-A107 HydrophobicContact CH2-CB 4.16Å; S105-A107 VanDerWaalsContact C-N 3.32Å; A107-A109 PolarHBondContact O-N 3.44Å; A107-L110 PolarHBondContact O-N 2.84Å; A107-Y111 PolarHBondContact O-N 2.84Å
108A97.7Very high97.3Very high0 Ų030.3 Ų30.30%016%0.16CC..Hα-helixtrans-63.1-42.6177.500000111.5Y37 K102 W103 S105 K106 Y111 R112Y37-A108 HydrophobicContact CE1-CB 4.32Å; K102-A108 WeakPolarHBondContact O-CB 3.38Å; W103-A108 HydrophobicContact CE3-CB 3.98Å; S105-A108 PolarHBondContact O-N 2.96Å; S105-A108 WeakPolarHBondContact OG-CB 3.34Å; S105-A108 PolarHBondContact OG-N 3.12Å; K106-A108 VanDerWaalsContact C-N 3.34Å; K106-A108 PolarHBondContact O-N 3.44Å; A108-Y111 PolarHBondContact O-N 2.78Å; A108-R112 WeakPolarHBondContact O-CG 3.36Å; A108-R112 PolarHBondContact O-N 2.84Å
109A97.5Very high97.4Very high3 Ų328.3 Ų28.33%0.02515%0.147CC..Hα-helixtrans-61.6-45.7178.300000113S105 K106 A107 Y111 R112 D113 A131 W134S105-A109 PolarHBondContact O-N 3.11Å; K106-A109 WeakPolarHBondContact O-CB 3.14Å; K106-A109 PolarHBondContact O-N 2.96Å; K106-A109 VanDerWaalsContact O-N 3.12Å; A107-A109 PolarHBondContact O-N 3.44Å; A109-Y111 VanDerWaalsContact C-N 3.28Å; A109-Y111 PolarHBondContact O-N 3.34Å; A109-R112 PolarHBondContact O-N 3.01Å; A109-D113 PolarHBondContact O-N 3.41Å; A109-D113 VanDerWaalsContact O-N 3.15Å; A109-A131 HydrophobicContact CB-CB 3.95Å; A109-W134 HydrophobicContact CB-CB 3.83Å; A109-W134 HydrophobicContact CB-CD2 3.48Å; A109-W134 VanDerWaalsContact CB-CD2 3.48Å; A109-W134 HydrophobicContact CB-CE3 4.03Å; A109-W134 HydrophobicContact CB-CG 3.37Å
110L97.9Very high97.4Very high2 Ų230 Ų301%0.0116%0.156CC..Hα-helixtrans-59-40.6174.3-72169.4000111.3F86 K106 A107 D113 K114 W124 I126 A131 Q132F86-L110 HydrophobicContact CE1-CB 4.08Å; F86-L110 HydrophobicContact CZ-CB 4.01Å; K106-L110 HydrophobicContact CG-CD1 4.08Å; K106-L110 HydrophobicContact CG-CG 4.34Å; K106-L110 WeakPolarHBondContact O-CG 3.32Å; K106-L110 PolarHBondContact O-N 3.32Å; A107-L110 PolarHBondContact O-N 2.84Å; L110-D113 PolarHBondContact O-N 2.94Å; L110-K114 WeakPolarHBondContact O-CB 3.49Å; L110-K114 PolarHBondContact O-N 2.77Å; L110-W124 HydrophobicContact CB-CZ2 4.48Å; L110-I126 HydrophobicContact CD1-CD1 4.22Å; L110-I126 HydrophobicContact CD1-CG1 4.3Å; L110-I126 HydrophobicContact CD2-CG1 4.44Å; L110-A131 HydrophobicContact CD2-CB 3.97Å; L110-A131 HydrophobicContact CG-CB 4.31Å; L110-Q132 HydrophobicContact CD2-CG 4.37Å
111Y98.3Very high97.5Very high2 Ų230.7 Ų30.71%0.00817%0.171CC..Hα-helixtrans-68-38.4178.4-165.2-122.2000112.8Y37 C83 F86 A107 A108 A109 D113 K114 I115Y37-Y111 AromaticContact CD1-CD1 3.94Å; Y37-Y111 HydrophobicContact CD1-CD1 3.94Å; Y37-Y111 VanDerWaalsContact O-CE1 3.22Å; Y37-Y111 WeakPolarHBondContact O-CE1 3.37Å; C83-Y111 VanDerWaalsContact CA-CZ 3.49Å; C83-Y111 WeakPolarHBondContact CA-OH 3.29Å; C83-Y111 HydrophobicContact CB-CD1 4.29Å; C83-Y111 HydrophobicContact CB-CE1 3.44Å; C83-Y111 VanDerWaalsContact CB-CE1 3.44Å; C83-Y111 PolarHBondContact N-OH 3.45Å; C83-Y111 WeakPolarHBondContact SG-CE1 3.33Å; F86-Y111 HydrophobicContact CB-CD2 3.77Å; F86-Y111 HydrophobicContact CB-CE2 3.89Å; F86-Y111 AromaticContact CD1-CD2 3.38Å; F86-Y111 HydrophobicContact CD1-CD2 3.38Å; F86-Y111 HydrophobicContact CD1-CE2 4.35Å; F86-Y111 AromaticContact CD1-CG 3.75Å; F86-Y111 HydrophobicContact CD1-CG 3.75Å; F86-Y111 HydrophobicContact CD2-CD2 4.05Å; F86-Y111 AromaticContact CE1-CD2 3.94Å; F86-Y111 HydrophobicContact CE1-CD2 3.94Å; F86-Y111 HydrophobicContact CE1-CG 4.2Å; F86-Y111 AromaticContact CG-CD2 3.43Å; F86-Y111 HydrophobicContact CG-CD2 3.43Å; F86-Y111 VanDerWaalsContact CG-CD2 3.43Å; F86-Y111 HydrophobicContact CG-CE2 4.01Å; F86-Y111 HydrophobicContact CG-CG 4.25Å; F86-Y111 HydrophobicContact CZ-CD2 4.46Å; A107-Y111 PolarHBondContact O-N 2.84Å; A108-Y111 PolarHBondContact O-N 2.78Å; A109-Y111 VanDerWaalsContact C-N 3.28Å; A109-Y111 PolarHBondContact O-N 3.34Å; Y111-D113 VanDerWaalsContact C-N 3.31Å; Y111-D113 PolarHBondContact O-N 2.99Å; Y111-K114 HydrophobicContact CD2-CD 4.22Å; Y111-K114 HydrophobicContact CE2-CD 4.39Å; Y111-K114 WeakPolarHBondContact O-CB 3.44Å; Y111-K114 PolarHBondContact O-N 2.8Å; Y111-I115 HydrophobicContact CD1-CG1 4.27Å; Y111-I115 HydrophobicContact CD2-CG1 4.44Å; Y111-I115 HydrophobicContact CE1-CD1 4.26Å; Y111-I115 HydrophobicContact CE1-CG1 3.92Å; Y111-I115 HydrophobicContact CE2-CD1 4.1Å; Y111-I115 HydrophobicContact CE2-CG1 4.13Å; Y111-I115 WeakPolarHBondContact O-CG1 3.49Å; Y111-I115 PolarHBondContact O-N 3.38Å
112R98Very high97.5Very high31 Ų3132.1 Ų32.112%0.11717%0.17CC..Hα-helixtrans-58.3-45.9174.1-65.7-165.9-71-89.81.4111.5T36 Y37 W103 A108 A109 I115 L116T36-R112 HydrophobicContact CG2-CB 4.21Å; T36-R112 HydrophobicContact CG2-CG 3.46Å; T36-R112 VanDerWaalsContact CG2-CG 3.46Å; Y37-R112 HydrophobicContact CD1-CG 3.76Å; Y37-R112 HydrophobicContact CE1-CG 3.2Å; Y37-R112 PolarHBondContact OH-NH1 3.27Å; W103-R112 PolarHBondContact O-NH1 3Å; A108-R112 WeakPolarHBondContact O-CG 3.36Å; A108-R112 PolarHBondContact O-N 2.84Å; A109-R112 PolarHBondContact O-N 3.01Å; R112-I115 PolarHBondContact O-N 2.94Å; R112-L116 WeakPolarHBondContact O-CB 3.31Å; R112-L116 PolarHBondContact O-N 3.44Å
113D97.8Very high97.5Very high26 Ų2639.6 Ų39.614%0.13921%0.206CC..Hα-helixtrans-64.6-45.2179-178.860.2000111.3A109 L110 Y111 I115 L116 A117 W124 S129 A131A109-D113 PolarHBondContact O-N 3.41Å; A109-D113 VanDerWaalsContact O-N 3.15Å; L110-D113 PolarHBondContact O-N 2.94Å; Y111-D113 VanDerWaalsContact C-N 3.31Å; Y111-D113 PolarHBondContact O-N 2.99Å; D113-I115 PolarHBondContact O-N 3.43Å; D113-L116 PolarHBondContact O-N 3.27Å; D113-A117 WeakPolarHBondContact O-CB 3.11Å; D113-A117 PolarHBondContact O-N 3.06Å; D113-W124 PolarHBondContact OD2-NE1 2.89Å; D113-S129 VanDerWaalsContact CG-OG 3.31Å; D113-S129 VanDerWaalsContact OD2-CB 3.27Å; D113-S129 WeakPolarHBondContact OD2-CB 3.25Å; D113-S129 PolarHBondContact OD2-OG 3.35Å; D113-A131 HydrophobicContact CB-CB 4.42Å
114K98.2Very high97.4Very high68 Ų6842.1 Ų42.130%0.29622%0.216SC..Hα-helixtrans-53.3-52.5173-178.2178.6178.6177.90112.2F86 L110 Y111 L116 A117 V118 W124F86-K114 HydrophobicContact CD2-CD 3.98Å; F86-K114 HydrophobicContact CE2-CD 3.77Å; F86-K114 HydrophobicContact CZ-CD 4.47Å; L110-K114 WeakPolarHBondContact O-CB 3.49Å; L110-K114 PolarHBondContact O-N 2.77Å; Y111-K114 HydrophobicContact CD2-CD 4.22Å; Y111-K114 HydrophobicContact CE2-CD 4.39Å; Y111-K114 WeakPolarHBondContact O-CB 3.44Å; Y111-K114 PolarHBondContact O-N 2.8Å; K114-L116 VanDerWaalsContact C-N 3.3Å; K114-L116 PolarHBondContact O-N 2.9Å; K114-A117 PolarHBondContact O-N 3.47Å; K114-V118 HydrophobicContact CG-CG2 4.29Å; K114-V118 WeakPolarHBondContact O-CB 3.45Å; K114-V118 VanDerWaalsContact O-CG2 3.26Å; K114-V118 WeakPolarHBondContact O-CG2 3.46Å; K114-V118 PolarHBondContact O-N 3.25Å; K114-W124 HydrophobicContact CB-CD2 3.62Å; K114-W124 HydrophobicContact CB-CE3 3.99Å; K114-W124 HydrophobicContact CB-CG 4.11Å; K114-W124 HydrophobicContact CB-CH2 4.19Å; K114-W124 HydrophobicContact CB-CZ2 3.83Å; K114-W124 HydrophobicContact CB-CZ3 4.26Å; K114-W124 HydrophobicContact CD-CD2 4.31Å; K114-W124 HydrophobicContact CD-CE3 3.79Å; K114-W124 HydrophobicContact CD-CH2 4.21Å; K114-W124 HydrophobicContact CD-CZ3 3.74Å; K114-W124 HydrophobicContact CG-CD2 3.68Å; K114-W124 HydrophobicContact CG-CE3 3.63Å; K114-W124 HydrophobicContact CG-CG 4.16Å; K114-W124 HydrophobicContact CG-CH2 4.46Å; K114-W124 HydrophobicContact CG-CZ2 4.5Å; K114-W124 HydrophobicContact CG-CZ3 4.05Å
115I98.5Very high97.4Very high3 Ų343.1 Ų43.12%0.01522%0.224CC..Hα-helixtrans-62.4-39.9-178.1-69.3-64.5000111.1K74 V77 Y111 R112 D113 A119K74-I115 HydrophobicContact CB-CG2 3.81Å; K74-I115 HydrophobicContact CD-CG2 4.22Å; K74-I115 HydrophobicContact CG-CG2 3.79Å; V77-I115 HydrophobicContact CG2-CD1 4.03Å; V77-I115 HydrophobicContact CG2-CG2 4.33Å; Y111-I115 HydrophobicContact CD1-CG1 4.27Å; Y111-I115 HydrophobicContact CD2-CG1 4.44Å; Y111-I115 HydrophobicContact CE1-CD1 4.26Å; Y111-I115 HydrophobicContact CE1-CG1 3.92Å; Y111-I115 HydrophobicContact CE2-CD1 4.1Å; Y111-I115 HydrophobicContact CE2-CG1 4.13Å; Y111-I115 WeakPolarHBondContact O-CG1 3.49Å; Y111-I115 PolarHBondContact O-N 3.38Å; R112-I115 PolarHBondContact O-N 2.94Å; D113-I115 PolarHBondContact O-N 3.43Å; I115-A119 WeakPolarHBondContact O-CB 3.48Å; I115-A119 PolarHBondContact O-N 3.09Å
116L98Very high97.3Very high53 Ų5345.5 Ų45.528%0.27724%0.236SC..Hα-helixtrans-64.7-51.4176.2179.763.4000111.8R112 D113 K114 A119 E120R112-L116 WeakPolarHBondContact O-CB 3.31Å; R112-L116 PolarHBondContact O-N 3.44Å; D113-L116 PolarHBondContact O-N 3.27Å; K114-L116 VanDerWaalsContact C-N 3.3Å; K114-L116 PolarHBondContact O-N 2.9Å; L116-A119 PolarHBondContact O-N 3.31Å; L116-E120 HydrophobicContact CD1-CG 4.4Å; L116-E120 WeakPolarHBondContact CD1-OE1 3.43Å; L116-E120 WeakPolarHBondContact O-CG 3.35Å; L116-E120 PolarHBondContact O-N 3.41Å; L116-E120 VanDerWaalsContact O-N 3.09Å
117A98Very high97.1Very high0 Ų049.5 Ų49.50%026%0.256CS..Hα-helixtrans-59.8-49.7-177.900000112.2D113 K114 A119 E120 G121 R122 W124D113-A117 WeakPolarHBondContact O-CB 3.11Å; D113-A117 PolarHBondContact O-N 3.06Å; K114-A117 PolarHBondContact O-N 3.47Å; A117-A119 PolarHBondContact O-N 3.28Å; A117-E120 PolarHBondContact O-N 3.42Å; A117-G121 PolarHBondContact O-N 3.17Å; A117-R122 HydrophobicContact CB-CB 4.43Å; A117-R122 WeakPolarHBondContact O-CB 3.43Å; A117-R122 PolarHBondContact O-N 3.03Å; A117-W124 HydrophobicContact CB-CB 3.95Å; A117-W124 HydrophobicContact CB-CG 4.21Å
118V98Very high96.9Very high62 Ų6253.3 Ų53.338%0.37628%0.282SS..Hα-helixtrans-68.5-36.1-178.5-177.70000111.2V77 K114 E120 G121 W124V77-V118 HydrophobicContact CB-CB 4.45Å; V77-V118 HydrophobicContact CB-CG1 3.94Å; V77-V118 HydrophobicContact CG1-CG1 3.81Å; V77-V118 HydrophobicContact CG2-CB 4.47Å; V77-V118 HydrophobicContact CG2-CG1 4.47Å; K114-V118 HydrophobicContact CG-CG2 4.29Å; K114-V118 WeakPolarHBondContact O-CB 3.45Å; K114-V118 VanDerWaalsContact O-CG2 3.26Å; K114-V118 WeakPolarHBondContact O-CG2 3.46Å; K114-V118 PolarHBondContact O-N 3.25Å; V118-E120 VanDerWaalsContact C-N 3.26Å; V118-E120 PolarHBondContact O-N 2.98Å; V118-G121 PolarHBondContact O-N 3.21Å; V118-W124 HydrophobicContact CG2-CB 4.08Å
119A98.2Very high96.7Very high13 Ų1353.6 Ų53.611%0.10728%0.284CS..Hα-helixtrans-67.1-26.3175.700000113.5L70 Q73 K74 V77 I115 L116 A117 G121L70-A119 HydrophobicContact CD1-CB 4.17Å; Q73-A119 HydrophobicContact CB-CB 4.02Å; K74-A119 HydrophobicContact CB-CB 4.35Å; K74-A119 HydrophobicContact CG-CB 3.57Å; V77-A119 HydrophobicContact CG2-CB 4.07Å; I115-A119 WeakPolarHBondContact O-CB 3.48Å; I115-A119 PolarHBondContact O-N 3.09Å; L116-A119 PolarHBondContact O-N 3.31Å; A117-A119 PolarHBondContact O-N 3.28Å; A119-G121 VanDerWaalsContact C-N 3.29Å
120E97.7Very high96.4Very high96 Ų9658.1 Ų58.145%0.44931%0.313SS..THydrogen-bonded Turntrans-84.1-3.3173.1-70.4175.4173.100113L70 L116 A117 V118 R122L70-E120 HydrophobicContact CD1-CG 3.91Å; L116-E120 HydrophobicContact CD1-CG 4.4Å; L116-E120 WeakPolarHBondContact CD1-OE1 3.43Å; L116-E120 WeakPolarHBondContact O-CG 3.35Å; L116-E120 PolarHBondContact O-N 3.41Å; L116-E120 VanDerWaalsContact O-N 3.09Å; A117-E120 PolarHBondContact O-N 3.42Å; V118-E120 VanDerWaalsContact C-N 3.26Å; V118-E120 PolarHBondContact O-N 2.98Å; E120-R122 HydrophobicContact CB-CG 4.48Å; E120-R122 IonicContact OE2-CZ 2.85Å; E120-R122 VanDerWaalsContact OE2-CZ 3.22Å; E120-R122 IonicContact OE2-NE 3.92Å; E120-R122 PolarHBondContact OE2-NE 2.83Å; E120-R122 IonicContact OE2-NH2 3.63Å; E120-R122 PolarHBondContact OE2-NH2 3.1Å
121G96.9Very high96.2Very high70 Ų7058.5 Ų58.572%0.72232%0.317SS*.THydrogen-bonded Turntrans78.417.9-177.300000114.1A117 V118 A119A117-G121 PolarHBondContact O-N 3.17Å; V118-G121 PolarHBondContact O-N 3.21Å; A119-G121 VanDerWaalsContact C-N 3.29Å
122R96.9Very high95.8Very high116 Ų11661.7 Ų61.744%0.43833%0.332SS..  trans-88.7146.7173.6-63.6-175.4-72.6105.6-8.2110.3A117 E120A117-R122 HydrophobicContact CB-CB 4.43Å; A117-R122 WeakPolarHBondContact O-CB 3.43Å; A117-R122 PolarHBondContact O-N 3.03Å; E120-R122 HydrophobicContact CB-CG 4.48Å; E120-R122 IonicContact OE2-CZ 2.85Å; E120-R122 VanDerWaalsContact OE2-CZ 3.22Å; E120-R122 IonicContact OE2-NE 3.92Å; E120-R122 PolarHBondContact OE2-NE 2.83Å; E120-R122 IonicContact OE2-NH2 3.63Å; E120-R122 PolarHBondContact OE2-NH2 3.1Å
123E95.4Very high95.5Very high195 Ų19565 Ų6591%0.91136%0.36SS*.  trans-67.8140.7167-66.6-174.6169.800109.7
124W97.1Very high95.2Very high54 Ų5467.9 Ų67.921%0.20537%0.369CS..  trans-127.1130.5-179.9-178.485.7000109.7F86 L110 D113 K114 A117 V118 I126F86-W124 AromaticContact CE2-CH2 3.66Å; F86-W124 HydrophobicContact CE2-CH2 3.66Å; F86-W124 AromaticContact CE2-CZ3 3.97Å; F86-W124 HydrophobicContact CE2-CZ3 3.97Å; F86-W124 AromaticContact CZ-CH2 3.69Å; F86-W124 HydrophobicContact CZ-CH2 3.69Å; F86-W124 HydrophobicContact CZ-CZ2 4.35Å; F86-W124 HydrophobicContact CZ-CZ3 4.45Å; L110-W124 HydrophobicContact CB-CZ2 4.48Å; D113-W124 PolarHBondContact OD2-NE1 2.89Å; K114-W124 HydrophobicContact CB-CD2 3.62Å; K114-W124 HydrophobicContact CB-CE3 3.99Å; K114-W124 HydrophobicContact CB-CG 4.11Å; K114-W124 HydrophobicContact CB-CH2 4.19Å; K114-W124 HydrophobicContact CB-CZ2 3.83Å; K114-W124 HydrophobicContact CB-CZ3 4.26Å; K114-W124 HydrophobicContact CD-CD2 4.31Å; K114-W124 HydrophobicContact CD-CE3 3.79Å; K114-W124 HydrophobicContact CD-CH2 4.21Å; K114-W124 HydrophobicContact CD-CZ3 3.74Å; K114-W124 HydrophobicContact CG-CD2 3.68Å; K114-W124 HydrophobicContact CG-CE3 3.63Å; K114-W124 HydrophobicContact CG-CG 4.16Å; K114-W124 HydrophobicContact CG-CH2 4.46Å; K114-W124 HydrophobicContact CG-CZ2 4.5Å; K114-W124 HydrophobicContact CG-CZ3 4.05Å; A117-W124 HydrophobicContact CB-CB 3.95Å; A117-W124 HydrophobicContact CB-CG 4.21Å; V118-W124 HydrophobicContact CG2-CB 4.08Å; W124-I126 HydrophobicContact CH2-CB 3.99Å; W124-I126 HydrophobicContact CH2-CG1 4.41Å; W124-I126 HydrophobicContact CZ3-CB 4.45Å
125S95.5Very high94.8Very high46 Ų4670.3 Ų70.332%0.32239%0.39SS..  trans-125.9156.516881.70000110E127 S128 S129S125-E127 VanDerWaalsContact C-N 3.28Å; S125-E127 WeakPolarHBondContact CB-OE2 3.32Å; S125-E127 PolarHBondContact O-N 3.4Å; S125-E127 PolarHBondContact OG-OE2 2.75Å; S125-S128 PolarHBondContact N-OG 2.85Å; S125-S128 PolarHBondContact O-N 2.7Å; S125-S128 PolarHBondContact O-OG 3.36Å; S125-S128 WeakPolarHBondContact OG-CB 3.22Å; S125-S128 PolarHBondContact OG-N 2.81Å; S125-S128 PolarHBondContact OG-OG 3.41Å; S125-S129 PolarHBondContact O-N 2.65Å
126I94Very high94.1Very high53 Ų5373 Ų7327%0.27241%0.407SS..THydrogen-bonded Turntrans-66.4-34.5-179.3-171.4158.9000111L110 W124 Q132L110-I126 HydrophobicContact CD1-CD1 4.22Å; L110-I126 HydrophobicContact CD1-CG1 4.3Å; L110-I126 HydrophobicContact CD2-CG1 4.44Å; W124-I126 HydrophobicContact CH2-CB 3.99Å; W124-I126 HydrophobicContact CH2-CG1 4.41Å; W124-I126 HydrophobicContact CZ3-CB 4.45Å; I126-Q132 WeakPolarHBondContact O-CG 3.35Å; I126-Q132 PolarHBondContact O-NE2 3.19Å
127E93.2Very high93.1Very high146 Ų14678 Ų7868%0.68242%0.423SS*.THydrogen-bonded Turntrans-73.6-32.7-178.4-55.275.7-163.800112.9S125 S129S125-E127 VanDerWaalsContact C-N 3.28Å; S125-E127 WeakPolarHBondContact CB-OE2 3.32Å; S125-E127 PolarHBondContact O-N 3.4Å; S125-E127 PolarHBondContact OG-OE2 2.75Å; E127-S129 VanDerWaalsContact C-N 3.31Å
128S91.4Very high91.3Very high80 Ų8082.1 Ų82.156%0.55946%0.457SS*.THydrogen-bonded Turntrans-83.1-9.318058.80000113.3S125S125-S128 PolarHBondContact N-OG 2.85Å; S125-S128 PolarHBondContact O-N 2.7Å; S125-S128 PolarHBondContact O-OG 3.36Å; S125-S128 WeakPolarHBondContact OG-CB 3.22Å; S125-S128 PolarHBondContact OG-N 2.81Å; S125-S128 PolarHBondContact OG-OG 3.41Å
129S93.8Very high89.2Confident6 Ų682.1 Ų82.14%0.04247%0.47CS..  trans-70.3127.9-174.4-176.50000112D113 S125 E127 A131 Q132D113-S129 VanDerWaalsContact CG-OG 3.31Å; D113-S129 VanDerWaalsContact OD2-CB 3.27Å; D113-S129 WeakPolarHBondContact OD2-CB 3.25Å; D113-S129 PolarHBondContact OD2-OG 3.35Å; S125-S129 PolarHBondContact O-N 2.65Å; E127-S129 VanDerWaalsContact C-N 3.31Å; S129-A131 PolarHBondContact O-N 3.27Å; S129-A131 VanDerWaalsContact O-N 3.1Å; S129-A131 PolarHBondContact OG-N 3.45Å; S129-Q132 WeakPolarHBondContact O-CB 3.45Å; S129-Q132 WeakPolarHBondContact O-CG 3.43Å; S129-Q132 PolarHBondContact O-N 3.25Å
130P92.4Very high86.6Confident98 Ų9885.3 Ų85.364%0.63649%0.488SS*.G310 helixtrans-62.3-17.4171.727-35.3000112.7Q132 S133P130-Q132 PolarHBondContact O-N 3.39Å; P130-S133 PolarHBondContact O-OG 3.22Å
131A92.8Very high83.8Confident11 Ų1183.7 Ų83.79%0.09150%0.497CS..G310 helixtrans-76.1-0.6174.900000113.4A109 L110 D113 S129 S133 W134A109-A131 HydrophobicContact CB-CB 3.95Å; L110-A131 HydrophobicContact CD2-CB 3.97Å; L110-A131 HydrophobicContact CG-CB 4.31Å; D113-A131 HydrophobicContact CB-CB 4.42Å; S129-A131 PolarHBondContact O-N 3.27Å; S129-A131 VanDerWaalsContact O-N 3.1Å; S129-A131 PolarHBondContact OG-N 3.45Å; A131-S133 PolarHBondContact O-N 3.42Å; A131-W134 HydrophobicContact CB-CB 4.46Å; A131-W134 WeakPolarHBondContact O-CB 3.27Å; A131-W134 PolarHBondContact O-N 2.78Å
132Q90.7Very high81.1Confident68 Ų6889.2 Ų89.232%0.31850%0.502SS..G310 helixtrans-60.3-35.1171.7-81.9-61.2-23.300113.1K106 L110 I126 S129 P130 W134K106-Q132 WeakPolarHBondContact CE-O 3.44Å; K106-Q132 VanDerWaalsContact CE-OE1 3.27Å; K106-Q132 PolarHBondContact NZ-O 3.02Å; L110-Q132 HydrophobicContact CD2-CG 4.37Å; I126-Q132 WeakPolarHBondContact O-CG 3.35Å; I126-Q132 PolarHBondContact O-NE2 3.19Å; S129-Q132 WeakPolarHBondContact O-CB 3.45Å; S129-Q132 WeakPolarHBondContact O-CG 3.43Å; S129-Q132 PolarHBondContact O-N 3.25Å; P130-Q132 PolarHBondContact O-N 3.39Å; Q132-W134 VanDerWaalsContact C-N 3.27Å; Q132-W134 PolarHBondContact O-N 3.3Å
133S91.6Very high78.7Confident102 Ų10291.7 Ų91.771%0.71352%0.52SS*.G310 helixtrans-88.913.2175.262.50000113.1P130 A131 V135P130-S133 PolarHBondContact O-OG 3.22Å; A131-S133 PolarHBondContact O-N 3.42Å; S133-V135 PolarHBondContact O-N 3.48Å
134W91.6Very high76.1Confident86 Ų8692 Ų9233%0.32652%0.519SS..  trans-66.3123.1179.7-178.7-89.8000110.7I56 N104 A109 A131 Q132I56-W134 HydrophobicContact CD1-CH2 4.44Å; I56-W134 HydrophobicContact CD1-CZ2 4.45Å; N104-W134 PolarHBondContact O-NE1 2.85Å; A109-W134 HydrophobicContact CB-CB 3.83Å; A109-W134 HydrophobicContact CB-CD2 3.48Å; A109-W134 VanDerWaalsContact CB-CD2 3.48Å; A109-W134 HydrophobicContact CB-CE3 4.03Å; A109-W134 HydrophobicContact CB-CG 3.37Å; A131-W134 HydrophobicContact CB-CB 4.46Å; A131-W134 WeakPolarHBondContact O-CB 3.27Å; A131-W134 PolarHBondContact O-N 2.78Å; Q132-W134 VanDerWaalsContact C-N 3.27Å; Q132-W134 PolarHBondContact O-N 3.3Å
135V88.6Confident73.6Confident119 Ų11993.3 Ų93.372%0.72154%0.536SS*.  trans-108.7122.4171.2-175.80000106.8S133 Y137S133-V135 PolarHBondContact O-N 3.48Å; V135-Y137 PolarHBondContact O-N 2.84Å
136P84.9Confident71.6Confident59 Ų5996.2 Ų96.238%0.38356%0.556SS.*  trans-52.5135.9172.8-24.833.9000109.5N104 A138N104-P136 WeakPolarHBondContact O-CA 3.29Å; N104-P136 WeakPolarHBondContact O-CB 3.43Å; N104-P136 WeakPolarHBondContact O-CG 3.09Å; P136-A138 VanDerWaalsContact C-N 3.26Å; P136-A138 PolarHBondContact O-N 2.89Å
137Y75.7Confident69.6Low158 Ų158101.3 Ų101.362%0.6258%0.579SS**  trans-62.7100167.4-170.9-95.7000105.9V135 G139 T140V135-Y137 PolarHBondContact O-N 2.84Å; Y137-G139 VanDerWaalsContact C-N 3.25Å; Y137-G139 PolarHBondContact O-N 3.47Å; Y137-T140 HydrophobicContact CE1-CG2 4.22Å; Y137-T140 VanDerWaalsContact OH-CG2 3.25Å; Y137-T140 WeakPolarHBondContact OH-CG2 3.46Å
138A61.8Low67.6Low86 Ų8699.5 Ų99.571%0.71158%0.583SS**  trans-57.2104.3167.300000103.8P136 T140P136-A138 VanDerWaalsContact C-N 3.26Å; P136-A138 PolarHBondContact O-N 2.89Å; A138-T140 PolarHBondContact O-N 3.25Å
139G53.5Low65.6Low62 Ų62104.1 Ų104.164%0.63959%0.593SS**  trans-44.8116-179.900000105.4Y137 G141Y137-G139 VanDerWaalsContact C-N 3.25Å; Y137-G139 PolarHBondContact O-N 3.47Å; G139-G141 PolarHBondContact O-N 3.46Å
140T43.5Very low63.1Low81 Ų81108.4 Ų108.450%0.49763%0.629SS.*  trans-50.799.1176.337.40000105.2Y137 A138 F142Y137-T140 HydrophobicContact CE1-CG2 4.22Å; Y137-T140 VanDerWaalsContact OH-CG2 3.25Å; Y137-T140 WeakPolarHBondContact OH-CG2 3.46Å; A138-T140 PolarHBondContact O-N 3.25Å; T140-F142 PolarHBondContact O-N 2.98Å
141G37.6Very low60.8Low62 Ų62108.5 Ų108.564%0.63963%0.632SS**  trans-59.486.5151.700000102.8G139 M143G139-G141 PolarHBondContact O-N 3.46Å; G141-M143 PolarHBondContact O-N 3.21Å
142F40.4Very low58.7Low186 Ų186113.2 Ų113.282%0.81666%0.664SS**  trans-52.792.1137.2-76.4-81.2000103.1T140 K144T140-F142 PolarHBondContact O-N 2.98Å; F142-K144 PolarHBondContact O-N 3.31Å
143M46.5Very low56.5Low168 Ų168115.4 Ų115.483%0.82869%0.687SS**  trans-45.1118.4156.4-64.3-155.4170.300102.8G141 S145G141-M143 PolarHBondContact O-N 3.21Å; M143-S145 PolarHBondContact O-N 3.05Å
144K42.2Very low54.4Low201 Ų201116.3 Ų116.387%0.87469%0.693SS**  trans-5787.3156.5-85.2-177.4173.6179.90103.8F142 S146F142-K144 PolarHBondContact O-N 3.31Å; K144-S146 PolarHBondContact O-N 3.49Å
145S44.3Very low51.9Low81 Ų81115.7 Ų115.757%0.56671%0.714SS**  trans-68.485.8163.4-171.80000102.6M143 Q147M143-S145 PolarHBondContact O-N 3.05Å; S145-Q147 PolarHBondContact O-N 3.1Å; S145-Q147 WeakPolarHBondContact OG-CG 3.49Å
146S54Low49.9Very low107 Ų107118.2 Ų118.275%0.74872%0.721SS**  trans-63.680.1155.443.40000105.2K144 S148K144-S146 PolarHBondContact O-N 3.49Å; S146-S148 PolarHBondContact O-N 3.17Å
147Q51.5Low47.8Very low160 Ų160123.9 Ų123.975%0.74874%0.743SS**  trans-67.290.3160.8-75.3-177.118.800105.6S145 F149S145-Q147 PolarHBondContact O-N 3.1Å; S145-Q147 WeakPolarHBondContact OG-CG 3.49Å; Q147-F149 VanDerWaalsContact C-N 3.26Å; Q147-F149 PolarHBondContact O-N 2.94Å
148S50Low45.8Very low109 Ų109124.3 Ų124.376%0.76275%0.75SS**  trans-58.697.2153.546.60000106.8S146 A150S146-S148 PolarHBondContact O-N 3.17Å; S148-A150 PolarHBondContact O-N 3.28Å; S148-A150 VanDerWaalsContact O-N 3.14Å
149F49.5Very low44.7Very low177 Ų177130.9 Ų130.978%0.77676%0.758SS**  trans-68.7107.4163.457.3-90.2000107.1Q147 S151Q147-F149 VanDerWaalsContact C-N 3.26Å; Q147-F149 PolarHBondContact O-N 2.94Å; F149-S151 PolarHBondContact O-N 2.73Å
150A42.2Very low43.8Very low96 Ų96132.4 Ų132.479%0.79376%0.755SS**  trans-78.594.2162.400000106.7S148S148-A150 PolarHBondContact O-N 3.28Å; S148-A150 VanDerWaalsContact O-N 3.14Å
151S44.6Very low43.8Very low99 Ų99136.8 Ų136.869%0.69277%0.774SS**  trans-87.1106.7168.5420000108.8F149F149-S151 PolarHBondContact O-N 2.73Å
152S47.1Very low44Very low111 Ų111142.3 Ų142.378%0.77678%0.78SS**  trans-62.2134.9173.2-60.50000112.1
153S45.6Very low44Very low114 Ų114141.2 Ų141.280%0.79778%0.783SS**  trans-5.9120.8162.460.80000119.8
154S47Very low44.1Very low120 Ų120138.6 Ų138.684%0.83978%0.779SS**  trans-157.9124.7132.536.20000107.6
155G39.4Very low44Very low74 Ų74140.2 Ų140.276%0.76378%0.779SS**  trans-68.1149.6-155.600000116.1
156I46.9Very low43.6Very low171 Ų171145.7 Ų145.788%0.87779%0.793SS**  trans-157.7142.2136.744169.3000108.4
157E39.9Very low42.8Very low179 Ų179148.6 Ų148.684%0.83680%0.795SS**  trans-52.8124-170.5-66.2162.6145.700113.8
158E34.7Very low42Very low167 Ų167149 Ų14978%0.7879%0.794SS**  67.588.695.6-167.5154.9-161.900116.2
159Y39.1Very low41.7Very low224 Ų224150.2 Ų150.288%0.87879%0.792SS**  trans-143.1102.9138.315.2-90.6000108.5
160T34.6Very low41.2Very low94 Ų94148.6 Ų148.658%0.57779%0.792SS**  trans-90.4119.6-178.9-69.30000110.1K162T160-K162 HydrophobicContact CG2-CG 3.72Å
161I42.2Very low41.1Very low173 Ų173154.8 Ų154.889%0.88780%0.796SS**  trans-123.2117.6149.3-63.7-173.7000108.1
162K42.7Very low40.9Very low177 Ų177159.1 Ų159.177%0.7780%0.803SS**  trans-73.3129.3-171.5-63.3168.8178.7173.30110.4T160T160-K162 HydrophobicContact CG2-CG 3.72Å
163N40.7Very low40.6Very low163 Ų163157 Ų15787%0.87280%0.799SS**  trans-95113.1167.1-144.76.2000108.5
164P49Very low40.3Very low114 Ų114160.4 Ų160.474%0.7480%0.802SS**  trans-78.1146.3179.1-9.426.8000111.8
165R38.7Very low40.3Very low234 Ų234166.3 Ų166.388%0.88381%0.806SS**  trans-55.2147.6178.1-70.3170.9179.9149.9-0.9113.4Q167R165-Q167 PolarHBondContact O-N 2.8Å
166F35.6Very low40.3Very low196 Ų196169.2 Ų169.286%0.8680%0.804SS**  trans-18.7116.8150.1-153-98.4000114.5
167Q37.4Very low40.3Very low169 Ų169169.9 Ų169.979%0.7980%0.803SS**  trans-132.5124.5158.9-160.7167.410.600108.1R165R165-Q167 PolarHBondContact O-N 2.8Å
168K35.6Very low40.3Very low168 Ų168166.2 Ų166.273%0.7380%0.797SS**  trans-82.5122.4173.6172.1-173.9-176.4177.20106.3
169D42.6Very low40.8Very low135 Ų135163.1 Ų163.172%0.72279%0.794SS**  trans-152.2132.6160.5-79.2-47.6000110.4
170D39.9Very low41.1Very low143 Ų143161.9 Ų161.977%0.76579%0.793SS**  trans-67.6139.9172.6-57.5-62000110.4
171Y40.6Very low41.6Very low225 Ų225162.9 Ų162.988%0.88280%0.804SS**  trans-146.1112.4162.3-158.6-106.5000112.8
172F39.2Very low41.8Very low190 Ų190164.2 Ų164.283%0.83380%0.803SS**  trans-45.5168.8158.9-87.2-114.3000113.6
173G42.1Very low41.9Very low67 Ų67161.3 Ų161.369%0.69180%0.8SS**  trans151.190.6143.200000116.5
174E38.5Very low42.1Very low185 Ų185162.5 Ų162.586%0.86480%0.797SS**  trans-32.6139.7152-135.2136.9118.200113.9
175R47.1Very low41.8Very low245 Ų245163.6 Ų163.693%0.92580%0.797SS**  trans-149.994.1159.5-148.6-178.4-74.6166.7-4111.1
176D39.6Very low42.3Very low135 Ų135164.1 Ų164.172%0.72280%0.799SS**  trans-70.4136.9151.9-85.1-39.1000109.5
177H47.2Very low43Very low185 Ų185163.2 Ų163.286%0.85680%0.797SS**  trans177.8108.1133.1-99.3-67.9000111.1
178S40.1Very low43.4Very low102 Ų102165.2 Ų165.271%0.71380%0.799SS**  trans12.3133.8136.5-172.10000120.4
179S45.4Very low44.1Very low101 Ų101163.8 Ų163.871%0.70681%0.805SS**  trans111.4109.6139.1-71.80000120
180K44.7Very low44.4Very low199 Ų199159.8 Ų159.887%0.86580%0.795SS**  trans54.9110.4136.8-82.9175.5173169.50118.6
181S44.2Very low44.9Very low115 Ų115162.9 Ų162.980%0.80480%0.802SS**  157.6104.1108.8480000109.3
182K46.8Very low45Very low200 Ų200156 Ų15687%0.8780%0.8SS**  60.3113.4102.2-113.5-173.8-172.8177.80114.4
183V45.2Very low45.3Very low116 Ų116150.3 Ų150.370%0.70380%0.795SS**  trans118.1111.7136.41790000117.4
184K45.2Very low45.6Very low189 Ų189155.4 Ų155.482%0.82281%0.806SS**  trans76.8101.5144.4-73.3169.9-173.2-177.30121.1
185N42.2Very low45.8Very low137 Ų137151.1 Ų151.173%0.73380%0.803SS**  5199.8120.3-153.532.1000117.5
186R50Low45.8Very low245 Ų245148.9 Ų148.993%0.92581%0.805SS**  trans-135.6110.5153-81.5-172.1174.6-171.8-2.2110.1
187Q49Very low46.1Very low176 Ų176146 Ų14682%0.82281%0.807SS**  trans-58138.7160.2-94.9155.5-59.500110.2
188Y46Very low46.2Very low211 Ų211143.5 Ų143.583%0.82781%0.807SS**  trans-91.9117.9178.1179.8-94.8000109.9
189T50.5Low46.3Very low138 Ų138144.6 Ų144.685%0.84782%0.815SS**  trans-145.9133.9162.6510000109
190G48.5Very low46.1Very low51 Ų51152 Ų15253%0.52683%0.827SS.*  trans157.8128.5179.800000107.2
191F49.9Very low45.9Very low208 Ų208147.1 Ų147.191%0.91282%0.824SS**  cis-131.9137.538.4-79.4-111.5000109.3
192G43.1Very low45.7Very low81 Ų81148.8 Ų148.884%0.83583%0.829SS**  82.1114.667.500000110.1
193G46Very low45.2Very low70 Ų70145 Ų14572%0.72283%0.828SS**  cis-175.2-161.29.300000114.5
194N47.6Very low44.9Very low174 Ų174143.1 Ų143.193%0.9383%0.832SS**  trans95.398.1170.5-58.111.8000116.6
195A42.5Very low44.3Very low96 Ų96138.2 Ų138.279%0.79384%0.836SS**  trans-84.1141.6168.400000111.3
196M48Very low44Very low197 Ų197135.6 Ų135.697%0.9784%0.841SS**  trans-151.2135.8146.7-66.1-164.2-17800108.9
197G45.6Very low43.5Very low74 Ų74131.4 Ų131.476%0.76384%0.837SS**  trans-83-174.1-163.800000117.1
198P50.7Low43.2Very low133 Ų133133 Ų13386%0.86484%0.841SS**  trans-89.9150.9-163.134.6-33.3000114.8
199S40.5Very low43Very low125 Ų125128.3 Ų128.387%0.87484%0.839SS**  trans-65.1141-178.5-40.70000114.6
200R42.1Very low42.9Very low256 Ų256126.4 Ų126.497%0.96683%0.832SS**  trans-138.9130.4155.8-119.4178.4140.8180-6109.9
201A39.4Very low42.7Very low97 Ų97131.1 Ų131.180%0.80285%0.845SS**  trans-79.5144.1-171.100000113.7
202V41.8Very low42.8Very low150 Ų150128 Ų12891%0.90984%0.842SS**  trans-146142.7150.5167.50000109.5
203S36Very low43.2Very low121 Ų121131.7 Ų131.785%0.84684%0.842SS**  trans-74.5163.4-172.9177.20000115.8
204G38.1Very low43.4Very low76 Ų76137.4 Ų137.478%0.78485%0.85SS**  trans114.2117.6166.200000110.9
205G33.9Very low43.3Very low87 Ų87137.3 Ų137.390%0.89785%0.85SS**  cis128.4124.52900000106.1
206G36.1Very low43.6Very low82 Ų82136.8 Ų136.885%0.84585%0.845SS**  trans133.7111.5168.500000116
207N39.5Very low43.8Very low156 Ų156135.4 Ų135.483%0.83484%0.841SS**  trans-61.9147.3173.3-61.6-38.2000113.4
208K42.5Very low44Very low209 Ų209135.5 Ų135.591%0.90984%0.842SS**  166.8145.3116.7-88165.5-175.8178.20111.2
209S41.1Very low43.9Very low114 Ų114134.8 Ų134.880%0.79784%0.84SS**  trans-92.8132.1-171.944.40000113.1
210S47.5Very low44.2Very low98 Ų98136.1 Ų136.169%0.68584%0.837SS**  trans153.7122.3160.365.10000102.3
211D44.9Very low44.6Very low150 Ų150130.3 Ų130.380%0.80283%0.83SS**  -165.9122.566.2-73.4-59.9000107.7
212V52.7Low45.2Very low142 Ų142132.8 Ų132.886%0.86184%0.835SS**  trans-109.382.2175.7-80.40000107.5
213L51.2Low45.3Very low159 Ų159128.5 Ų128.583%0.83282%0.821SS**SBendtrans-165.6-21.1158.7-138.470.9000118.1
214E50.4Low46.1Very low189 Ų189135.1 Ų135.188%0.88383%0.828SS**THydrogen-bonded Turntrans-90.8-8.6-157.1-83.6-167.9144.900119.6
215N44.7Very low46.6Very low173 Ų173137.1 Ų137.193%0.92583%0.829SS**THydrogen-bonded Turntrans-106.921-178.1-91.5-7.4000115.9
216A50.2Low47.4Very low85 Ų85138 Ų13870%0.70283%0.828SS**  trans-898.5-174.300000116.4
217L51.7Low48.4Very low167 Ų167142.5 Ų142.587%0.87483%0.832SS**  trans-9817.2-170.7-72.2175.5000116.9
218G49.9Very low49Very low77 Ų77140.4 Ų140.479%0.79483%0.83SS**SBendtrans-102.7-9-171.400000118.8
219S47.9Very low49Very low118 Ų118140.8 Ų140.883%0.82583%0.831SS**  trans-157.578.2-174.8-173.50000112.3
220L45.7Very low49.1Very low153 Ų153139 Ų13980%0.80183%0.831SS**  trans-103.6113.4162.7-74.9168.6000107.4
221T51.8Low49.1Very low133 Ų133139.8 Ų139.882%0.81684%0.843SS**  trans-160.293.7130.738.60000111.1
222V52.1Low48.9Very low149 Ų149137.3 Ų137.390%0.90384%0.844SS**  trans44.4129.5133.6-154.40000118.7
223G42.9Very low48.4Very low61 Ų61139.5 Ų139.563%0.62984%0.844SS**  cis169.6154.25.500000111.6
224W53.3Low47.9Very low260 Ų260136.8 Ų136.899%0.98585%0.845SS**  trans166.983142.9-122.9-60.9000104.5
225S48.1Very low47.6Very low117 Ų117132.3 Ų132.382%0.81884%0.841SS**  trans-136.7135178.4-53.60000109.4
226A51.3Low47.6Very low106 Ų106130 Ų13088%0.87683%0.833SS**  trans76.683.5158.500000118.6
227L57.2Low47.4Very low177 Ų177133.8 Ų133.893%0.92784%0.839SS**  trans-124.7124142.6-148.4105.1000103.6
228S51.9Low47.1Very low111 Ų111129.9 Ų129.978%0.77683%0.831SS**  cis-157.1146.127.145.10000109.1
229K43.4Very low46.9Very low218 Ų218136 Ų13695%0.94884%0.836SS**  trans-99.6131.4158.5-76.8178.6176177.10107
230G43.3Very low46.7Very low77 Ų77139.9 Ų139.979%0.79484%0.841SS**  trans158.7130.7160.200000116.1
231A46.2Very low46.5Very low113 Ų113136 Ų13693%0.93484%0.838SS**  trans86.6101.9159.900000118.7
232A41.7Very low46Very low98 Ų98139.2 Ų139.281%0.8184%0.843SS**  trans-115.7120.6156.800000108.3
233Q41.5Very low45.4Very low188 Ų188137.4 Ų137.488%0.87984%0.844SS**  trans-154.7119.7158.9-72-163.4-23.100107.8
234A40.5Very low45.1Very low103 Ų103138 Ų13885%0.85185%0.85SS**  56.7136.7113.400000115.3
235A45.1Very low44.8Very low95 Ų95131.5 Ų131.579%0.78584%0.844SS**  cis-162.9167.25.300000108.8
236T43.3Very low44.6Very low125 Ų125135.9 Ų135.977%0.76785%0.849SS**  trans-49.8152.9172.650.90000115
237I46.1Very low44Very low163 Ų163135.9 Ų135.984%0.83685%0.849SS**  trans173.5123.1130.7-88.3153.7000111.9
238A45.3Very low43.3Very low85 Ų85131.8 Ų131.870%0.70284%0.841SS**  trans66.9124.3141.400000124.5
239K46Very low43Very low205 Ų205135.7 Ų135.789%0.89185%0.849SS**  87.4114.4126.7-86.9-177.2173.2-178.80120.3
240E44.1Very low43.1Very low201 Ų201133.5 Ų133.594%0.93985%0.846SS**  trans-49.6139.7154-63.2168.8140.500112.4
241G42.6Very low43.1Very low70 Ų70134.9 Ų134.972%0.72285%0.85SS**  trans174.498.9174.300000112.7
242Q40.1Very low43Very low201 Ų201133.3 Ų133.394%0.93984%0.844SS**  trans37.5105.9146.9-64.8179.8-52.200119.6
243A40Very low43.3Very low111 Ų111137.5 Ų137.592%0.91785%0.847SS**  trans-169.6117.4142.100000109.8
244G36.2Very low43.5Very low73 Ų73135.8 Ų135.875%0.75385%0.849SS**  trans160.613.117100000118.6K246G244-K246 VanDerWaalsContact C-N 3.32Å; G244-K246 PolarHBondContact O-N 3.43Å
245S46.9Very low44Very low124 Ų124142.2 Ų142.287%0.86785%0.851SS**  trans-6889.5162.449.60000109.7
246K43.2Very low44.2Very low210 Ų210147.6 Ų147.691%0.91386%0.857SS**  trans-169.964.4165.9-111177.8-173.6-1770111.7G244G244-K246 VanDerWaalsContact C-N 3.32Å; G244-K246 PolarHBondContact O-N 3.43Å
247A39.2Very low44.4Very low106 Ų106151.5 Ų151.588%0.87686%0.863SS**  trans-155.250.4165.500000111.6
248A43.6Very low44.5Very low91 Ų91150.7 Ų150.775%0.75287%0.866SS**SBendtrans-14487.9167.500000106.9
249M45.1Very low44.7Very low193 Ų193155 Ų15595%0.95188%0.876SS**SBendtrans178.35.3160.2-105.6-176.9-143.500116.1
250I45.7Very low45.1Very low172 Ų172156.4 Ų156.488%0.88288%0.876SS**SBendtrans-134.290-178.3-52.9177000109.9
251A43Very low45.5Very low106 Ų106157.5 Ų157.588%0.87687%0.873SS**SBendtrans166.637.7151.600000112.1
252G44.1Very low45.9Very low80 Ų80164.7 Ų164.783%0.82589%0.885SS**  trans-107.811.1178.200000115
253Q48.5Very low46.6Very low186 Ų186161 Ų16187%0.86988%0.881SS**  trans-128.923.9-159.6-127.5165.6-10.800116.3
254V45.4Very low47.3Very low152 Ų152167.5 Ų167.592%0.92190%0.9SS**  trans-122.162.8168.8-166.50000110
255R51Low47.8Very low237 Ų237172.3 Ų172.389%0.89491%0.907SS**  trans-117.5135.6156-88.2-176.7179.3-179.70.2106.5
256K49.4Very low47.9Very low209 Ų209174.8 Ų174.891%0.90991%0.909SS**SBendtrans83.666.9174-51.5177.8178.7-1790116.3
257K47.1Very low48.1Very low206 Ų206172.8 Ų172.890%0.89691%0.909SS**SBendtrans-16050.9154-117.1178.4-173.5-175.30113.3
258T48.5Very low48.7Very low146 Ų146176.8 Ų176.890%0.89691%0.911SS**SBendtrans-152.920.2168.4-0.60000114.6
259L49.9Very low49Very low175 Ų175182.1 Ų182.192%0.91692%0.921SS**  trans-111.474.3168.1-82.1163.9000108.7
260R52.7Low49.2Very low236 Ų236181.4 Ų181.489%0.89192%0.919SS**  trans-161.367.1160.3-78.3-157.3-160.1168.24.7108.6
261Y52.5Low49.5Very low224 Ų224182.1 Ų182.188%0.87892%0.921SS**SBendtrans-161.275.8162.6-109.5-80.3000104.9
262F51.7Low50Low220 Ų220187.9 Ų187.997%0.96593%0.925SS**SBendtrans167.173.4165.3-96.3-69.2000107
263S54.8Low50.5Low123 Ų123196.9 Ų196.986%0.8693%0.933SS**  trans-175.587.6156.4-174.40000107.3
264L54.4Low50.7Low249 Ų249197.9 Ų197.9100%1.30494%0.939SS**  trans-151.60146.1-96.5168.1000105.4

Retrieved 264 of 264 residues in 154.5 ms (Link to these results)

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