A0A077ZM09_TRITR Loading...

Dehydrogenase/reductase SDR family member 6

AlphaFold DB , UniProt , Accession A0A077ZM09, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 201 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
1M48.5Very low88.9Confident233 Ų23348.5 Ų48.5100%1.14826%0.261SS*.  01270-76.8179.1-103.200106
2S61.4Low89.4Confident78 Ų7847.5 Ų47.555%0.54527%0.27SS..  trans-67.7136.917361.80000108.3E27S2-E27 PolarHBondContact OG-OE2 3.25Å
3N89.6Confident89.9Confident76 Ų7648.2 Ų48.241%0.40628%0.276SS..EExtended strand (participates in β ladder)trans-88.8105.4176.4-72.9-17.5000108.2H26 E27 D59N3-H26 VanDerWaalsContact CB-ND1 3.28Å; N3-H26 WeakPolarHBondContact CB-ND1 3.39Å; N3-H26 VanDerWaalsContact O-CA 3.25Å; N3-H26 WeakPolarHBondContact O-CA 3.42Å; N3-H26 WeakPolarHBondContact O-CB 3.4Å; N3-H26 PolarHBondContact O-ND1 2.96Å; N3-E27 PolarHBondContact O-N 3.3Å; N3-D59 WeakPolarHBondContact CA-OD2 3.48Å; N3-D59 HydrophobicContact CB-CB 4.48Å
4A97.1Very high90.4Very high11 Ų1146.6 Ų46.69%0.09127%0.266CS..EExtended strand (participates in β ladder)trans-76.8132.3-179.100000110.9E27 V58 D59 A60A4-E27 CarbonylContact C-O 3.47Å; A4-E27 WeakPolarHBondContact CA-O 3.29Å; A4-V58 HydrophobicContact CB-CG1 4.36Å; A4-D59 PolarHBondContact N-OD2 3.32Å; A4-D59 WeakPolarHBondContact O-CA 3.41Å; A4-D59 WeakPolarHBondContact O-CB 3.2Å; A4-D59 PolarHBondContact O-N 3.13Å; A4-A60 PolarHBondContact O-N 3.06Å
5C98.1Very high90.9Very high0 Ų043.5 Ų43.50%025%0.248CC..EExtended strand (participates in β ladder)trans-131.7129.1178.5170.30000110.3H26 E27 L28 I29 A60C5-H26 HydrophobicContact CB-CB 4.16Å; C5-E27 PolarHBondContact N-O 2.99Å; C5-L28 HydrophobicContact CB-CD2 3.77Å; C5-L28 WeakPolarHBondContact O-CA 3.33Å; C5-I29 PolarHBondContact O-N 3.27Å; C5-A60 WeakPolarHBondContact CA-O 3.48Å; C5-A60 HydrophobicContact CB-CB 3.98Å
6V98.6Very high91.4Very high0 Ų051.2 Ų51.20%027%0.272CS..EExtended strand (participates in β ladder)trans-91.8121.8170.767.20000109.7I8 I29 A31 F52 V55 V58 A60 I61 V62V6-I8 HydrophobicContact CG1-CD1 4.08Å; V6-I8 HydrophobicContact CG2-CD1 4.15Å; V6-I29 WeakPolarHBondContact CA-O 3.37Å; V6-I29 HydrophobicContact CG2-CB 4.48Å; V6-A31 HydrophobicContact CG2-CB 4.22Å; V6-F52 HydrophobicContact CG1-CE1 4.16Å; V6-V55 HydrophobicContact CB-CG1 4.48Å; V6-V55 HydrophobicContact CG2-CG2 4.5Å; V6-V58 HydrophobicContact CB-CG1 4.44Å; V6-V58 HydrophobicContact CG1-CG2 4.16Å; V6-A60 PolarHBondContact N-O 3.15Å; V6-I61 HydrophobicContact CG1-CB 4.09Å; V6-I61 HydrophobicContact CG1-CG1 3.75Å; V6-I61 HydrophobicContact CG1-CG2 4.09Å; V6-V62 PolarHBondContact O-N 3.02Å
7Q98.5Very high91.8Very high0 Ų049.3 Ų49.30%027%0.265CS..EExtended strand (participates in β ladder)trans-108.5106178.9174.861.849.200110.2V19 I29 I30 A31 V62Q7-V19 HydrophobicContact CB-CG2 4.48Å; Q7-V19 HydrophobicContact CG-CG2 3.84Å; Q7-I29 PolarHBondContact N-O 2.77Å; Q7-I30 HydrophobicContact CB-CD1 3.96Å; Q7-I30 HydrophobicContact CG-CD1 4.37Å; Q7-A31 PolarHBondContact O-N 3.43Å; Q7-V62 CarbonylContact C-O 3.55Å; Q7-V62 WeakPolarHBondContact CA-O 3.29Å
8I98.7Very high92.2Very high1 Ų146.6 Ų46.61%0.00525%0.25CS..EExtended strand (participates in β ladder)trans-83126.3174.5-55.972.1000108.6V6 A31 V40 L42 I61 V62 N63 A64 L95V6-I8 HydrophobicContact CG1-CD1 4.08Å; V6-I8 HydrophobicContact CG2-CD1 4.15Å; I8-A31 CarbonylContact C-O 3.54Å; I8-A31 WeakPolarHBondContact CA-O 3.37Å; I8-A31 HydrophobicContact CB-CB 4.48Å; I8-A31 HydrophobicContact CG1-CB 4.06Å; I8-V40 HydrophobicContact CG2-CG1 4.01Å; I8-L42 HydrophobicContact CG2-CD1 4.18Å; I8-L42 HydrophobicContact CG2-CD2 4.31Å; I8-L42 HydrophobicContact CG2-CG 4.41Å; I8-I61 HydrophobicContact CD1-CG2 4.03Å; I8-V62 WeakPolarHBondContact CD1-O 3.25Å; I8-V62 PolarHBondContact N-O 3.12Å; I8-N63 HydrophobicContact CB-CB 4.38Å; I8-N63 WeakPolarHBondContact CB-OD1 3.46Å; I8-N63 WeakPolarHBondContact CG2-OD1 3.44Å; I8-A64 PolarHBondContact O-N 3.21Å; I8-L95 HydrophobicContact CD1-CD1 4.14Å; I8-L95 HydrophobicContact CD1-CD2 3.83Å; I8-L95 HydrophobicContact CG1-CD1 4.13Å; I8-L95 HydrophobicContact CG1-CD2 4.06Å
9G97.8Very high92.5Very high10 Ų1045.7 Ų45.710%0.10325%0.247CC..THydrogen-bonded Turntrans84.920.4-178.700000115.2K11 G12 G15 A31 S65G9-K11 PolarHBondContact O-N 2.75Å; G9-G12 PolarHBondContact O-N 3.45Å; G9-G15 WeakPolarHBondContact O-CA 3.25Å; G9-A31 PolarHBondContact N-O 3.18Å; G9-S65 WeakPolarHBondContact CA-OG 3.41Å; G9-S65 PolarHBondContact N-OG 3.06Å
10G95.5Very high92.8Very high5 Ų548.4 Ų48.45%0.05226%0.258CS..THydrogen-bonded Turntrans-59.7-10.7-17400000116.1G15 R16G10-G15 CarbonylContact O-C 3.47Å; G10-G15 VanDerWaalsContact O-C 3.3Å; G10-R16 WeakPolarHBondContact O-CA 3.37Å; G10-R16 WeakPolarHBondContact O-CG 3.22Å; G10-R16 PolarHBondContact O-N 3.21Å
11K93.9Very high93Very high120 Ų12048.2 Ų48.252%0.52226%0.255SS..THydrogen-bonded Turntrans-97.4-8.5174.9-62.9-161.6-173.8-174.90114.8G9 R16 S35G9-K11 PolarHBondContact O-N 2.75Å; K11-R16 PolarHBondContact O-NE 3.42Å; K11-R16 PolarHBondContact O-NH2 3.01Å; K11-S35 WeakPolarHBondContact CD-OG 3.27Å
12G95.2Very high95.4Very high36 Ų3637.1 Ų37.137%0.37120%0.2SC..SBendtrans-68.1170.3170.900000112.1G9 G15 R16G9-G12 PolarHBondContact O-N 3.45Å; G12-G15 PolarHBondContact O-N 2.98Å; G12-R16 WeakPolarHBondContact O-CG 3.44Å; G12-R16 PolarHBondContact O-N 2.91Å
13T95.8Very high97.1Very high56 Ų5638.4 Ų38.434%0.34420%0.196SC..Hα-helixtrans-57.7-53.7-179.6-47.30000111.8L159 E161T13-L159 HydrophobicContact CG2-CD1 3.9Å; T13-E161 HydrophobicContact CG2-CB 3.59Å; T13-E161 HydrophobicContact CG2-CG 4.34Å
14I97.1Very high97.3Very high26 Ų2640.7 Ų40.713%0.13320%0.204CC..Hα-helixtrans-64.3-45.9174.9-56.3-179.4000110.3R16 A17 I18 A64 P156 L159 V181 F185I14-R16 VanDerWaalsContact C-N 3.3Å; I14-R16 PolarHBondContact O-N 3.43Å; I14-A17 WeakPolarHBondContact O-CB 3.28Å; I14-A17 PolarHBondContact O-N 2.84Å; I14-A17 VanDerWaalsContact O-N 3.07Å; I14-I18 HydrophobicContact CG2-CD1 3.65Å; I14-I18 HydrophobicContact CG2-CG1 4.09Å; I14-I18 WeakPolarHBondContact O-CG1 3.49Å; I14-I18 PolarHBondContact O-N 3.25Å; I14-A64 HydrophobicContact CB-CB 4.38Å; I14-A64 HydrophobicContact CG2-CB 4.21Å; I14-P156 HydrophobicContact CD1-CB 4.48Å; I14-P156 HydrophobicContact CD1-CG 4.07Å; I14-L159 HydrophobicContact CD1-CD1 4.04Å; I14-L159 HydrophobicContact CG1-CD1 3.38Å; I14-L159 HydrophobicContact CG1-CD2 4.32Å; I14-L159 HydrophobicContact CG1-CG 4.38Å; I14-V181 HydrophobicContact CD1-CG1 4.49Å; I14-V181 HydrophobicContact CG2-CG1 3.94Å; I14-F185 HydrophobicContact CG2-CE2 3.95Å; I14-F185 HydrophobicContact CG2-CZ 4.44Å
15G97.9Very high97.2Very high0 Ų045.8 Ų45.80%023%0.226CC..Hα-helixtrans-55.8-42.4-177.500000113.2G9 G10 G12 I18 V19G9-G15 WeakPolarHBondContact O-CA 3.25Å; G10-G15 CarbonylContact O-C 3.47Å; G10-G15 VanDerWaalsContact O-C 3.3Å; G12-G15 PolarHBondContact O-N 2.98Å; G15-I18 PolarHBondContact O-N 2.96Å; G15-V19 VanDerWaalsContact O-CG2 3.26Å; G15-V19 WeakPolarHBondContact O-CG2 3.46Å; G15-V19 PolarHBondContact O-N 3.4Å
16R98.1Very high97.2Very high167 Ų16746.8 Ų46.863%0.6323%0.23SC*.Hα-helixtrans-62.9-42.8176.5-79.1-175.1-110.3-178.6-2.8112.2G10 K11 G12 I14 I18 V19 E20G10-R16 WeakPolarHBondContact O-CA 3.37Å; G10-R16 WeakPolarHBondContact O-CG 3.22Å; G10-R16 PolarHBondContact O-N 3.21Å; K11-R16 PolarHBondContact O-NE 3.42Å; K11-R16 PolarHBondContact O-NH2 3.01Å; G12-R16 WeakPolarHBondContact O-CG 3.44Å; G12-R16 PolarHBondContact O-N 2.91Å; I14-R16 VanDerWaalsContact C-N 3.3Å; I14-R16 PolarHBondContact O-N 3.43Å; R16-I18 VanDerWaalsContact C-N 3.34Å; R16-V19 PolarHBondContact O-N 3.04Å; R16-E20 WeakPolarHBondContact O-CB 3.29Å; R16-E20 PolarHBondContact O-N 3.16Å
17A98.4Very high97.2Very high19 Ų1952.1 Ų52.116%0.15726%0.255CS..Hα-helixtrans-64.6-39176.700000111.7I14 E20 K21 A178 A182I14-A17 WeakPolarHBondContact O-CB 3.28Å; I14-A17 PolarHBondContact O-N 2.84Å; I14-A17 VanDerWaalsContact O-N 3.07Å; A17-E20 PolarHBondContact O-N 3.17Å; A17-K21 WeakPolarHBondContact O-CG 3.25Å; A17-K21 PolarHBondContact O-N 2.72Å; A17-A178 HydrophobicContact CB-CB 3.87Å; A17-A182 VanDerWaalsContact C-CB 3.49Å; A17-A182 HydrophobicContact CB-CB 3.82Å; A17-A182 WeakPolarHBondContact O-CB 3.5Å
18I98.6Very high97.1Very high0 Ų053.7 Ų53.70%026%0.263CS..Hα-helixtrans-64.3-47.8174.7-63164.3000111I14 G15 R16 E20 K21 L22 V62 A64 A182 F185I14-I18 HydrophobicContact CG2-CD1 3.65Å; I14-I18 HydrophobicContact CG2-CG1 4.09Å; I14-I18 WeakPolarHBondContact O-CG1 3.49Å; I14-I18 PolarHBondContact O-N 3.25Å; G15-I18 PolarHBondContact O-N 2.96Å; R16-I18 VanDerWaalsContact C-N 3.34Å; I18-E20 PolarHBondContact O-N 2.83Å; I18-K21 PolarHBondContact O-N 2.82Å; I18-L22 HydrophobicContact CG2-CD1 3.48Å; I18-L22 VanDerWaalsContact CG2-CD1 3.48Å; I18-L22 HydrophobicContact CG2-CG 3.98Å; I18-L22 PolarHBondContact O-N 2.89Å; I18-V62 HydrophobicContact CD1-CG1 4.36Å; I18-V62 HydrophobicContact CG2-CG1 4.22Å; I18-A64 HydrophobicContact CD1-CB 3.66Å; I18-A182 HydrophobicContact CG1-CB 4.21Å; I18-F185 HydrophobicContact CD1-CB 4.33Å; I18-F185 HydrophobicContact CD1-CD1 3.71Å; I18-F185 HydrophobicContact CD1-CD2 3.56Å; I18-F185 HydrophobicContact CD1-CE1 3.8Å; I18-F185 HydrophobicContact CD1-CE2 3.68Å; I18-F185 HydrophobicContact CD1-CG 3.59Å; I18-F185 HydrophobicContact CD1-CZ 3.79Å; I18-F185 HydrophobicContact CG1-CB 4.05Å; I18-F185 HydrophobicContact CG1-CD1 4.36Å; I18-F185 HydrophobicContact CG1-CD2 3.68Å; I18-F185 HydrophobicContact CG1-CE2 4.22Å; I18-F185 HydrophobicContact CG1-CG 3.77Å; I18-F185 HydrophobicContact CG2-CB 4.22Å
19V98.3Very high97.1Very high30 Ų3055.4 Ų55.418%0.18227%0.272CS..Hα-helixtrans-56.2-43.9177.7167.90000110.4Q7 G15 R16 K21 K23 L28 I30Q7-V19 HydrophobicContact CB-CG2 4.48Å; Q7-V19 HydrophobicContact CG-CG2 3.84Å; G15-V19 VanDerWaalsContact O-CG2 3.26Å; G15-V19 WeakPolarHBondContact O-CG2 3.46Å; G15-V19 PolarHBondContact O-N 3.4Å; R16-V19 PolarHBondContact O-N 3.04Å; V19-K21 VanDerWaalsContact C-N 3.28Å; V19-K21 PolarHBondContact O-N 2.92Å; V19-K23 VanDerWaalsContact O-CB 3.25Å; V19-K23 WeakPolarHBondContact O-CB 3.17Å; V19-K23 VanDerWaalsContact O-CG 3.29Å; V19-K23 WeakPolarHBondContact O-CG 3.48Å; V19-K23 PolarHBondContact O-N 3.03Å; V19-L28 HydrophobicContact CB-CD1 4.12Å; V19-L28 HydrophobicContact CG1-CD1 3.81Å; V19-L28 HydrophobicContact CG2-CD1 4.23Å; V19-L28 WeakPolarHBondContact O-CD1 3.3Å; V19-I30 HydrophobicContact CG1-CD1 4.33Å; V19-I30 HydrophobicContact CG2-CD1 3.49Å; V19-I30 VanDerWaalsContact CG2-CD1 3.49Å
20E98.2Very high97.1Very high100 Ų10056.1 Ų56.147%0.46727%0.274SS..Hα-helixtrans-61.7-36.6-179-165.760.8-16700113.1R16 A17 I18 K23R16-E20 WeakPolarHBondContact O-CB 3.29Å; R16-E20 PolarHBondContact O-N 3.16Å; A17-E20 PolarHBondContact O-N 3.17Å; I18-E20 PolarHBondContact O-N 2.83Å; E20-K23 VanDerWaalsContact CD-CE 3.42Å; E20-K23 WeakPolarHBondContact O-CG 3.28Å; E20-K23 WeakPolarHBondContact OE1-CE 3.43Å; E20-K23 IonicContact OE1-NZ 3.85Å; E20-K23 PolarHBondContact OE1-NZ 3.21Å; E20-K23 WeakPolarHBondContact OE2-CE 3.32Å; E20-K23 IonicContact OE2-NZ 3.86Å; E20-K23 PolarHBondContact OE2-NZ 2.8Å
21K97.8Very high97.3Very high45 Ų4556 Ų5620%0.19627%0.272CS..Hα-helixtrans-82.3-45.2178.8-62.6-57.9-176.8-176.80113.1A17 I18 V19 K23 E24 E179 A182 M183 V186A17-K21 WeakPolarHBondContact O-CG 3.25Å; A17-K21 PolarHBondContact O-N 2.72Å; I18-K21 PolarHBondContact O-N 2.82Å; V19-K21 VanDerWaalsContact C-N 3.28Å; V19-K21 PolarHBondContact O-N 2.92Å; K21-K23 PolarHBondContact O-N 2.71Å; K21-E24 PolarHBondContact O-N 3.16Å; K21-E179 VanDerWaalsContact CE-OE1 3.28Å; K21-E179 WeakPolarHBondContact CE-OE1 3.44Å; K21-E179 IonicContact NZ-OE1 3.94Å; K21-E179 PolarHBondContact NZ-OE1 3.06Å; K21-A182 HydrophobicContact CG-CB 4.08Å; K21-M183 HydrophobicContact CD-SD 4.13Å; K21-M183 HydrophobicContact CG-SD 4.24Å; K21-V186 HydrophobicContact CB-CG2 3.61Å; K21-V186 HydrophobicContact CG-CG2 4.47Å
22L97.7Very high97.5Very high0 Ų050.7 Ų50.70%025%0.251CS..Hα-helixtrans-72.9-28.6-175.5-70.3-179.3000112.9I18 E24 H25 H26 L28 V62 V186 V189I18-L22 HydrophobicContact CG2-CD1 3.48Å; I18-L22 VanDerWaalsContact CG2-CD1 3.48Å; I18-L22 HydrophobicContact CG2-CG 3.98Å; I18-L22 PolarHBondContact O-N 2.89Å; L22-E24 PolarHBondContact O-N 3.48Å; L22-H25 PolarHBondContact O-N 3.47Å; L22-H25 VanDerWaalsContact O-N 3.16Å; L22-H26 VanDerWaalsContact O-CB 3.29Å; L22-H26 WeakPolarHBondContact O-CB 3.4Å; L22-H26 PolarHBondContact O-N 3.49Å; L22-L28 HydrophobicContact CB-CD1 4.33Å; L22-L28 HydrophobicContact CB-CD2 4Å; L22-V62 HydrophobicContact CD1-CG2 4.13Å; L22-V186 HydrophobicContact CD2-CG2 4.01Å; L22-V189 HydrophobicContact CD1-CG2 4.23Å; L22-V189 HydrophobicContact CD2-CB 4.14Å; L22-V189 HydrophobicContact CD2-CG1 4.19Å; L22-V189 HydrophobicContact CD2-CG2 4.29Å
23K97Very high97.6Very high105 Ų10557.8 Ų57.846%0.45727%0.267SS..THydrogen-bonded Turntrans-62.3-16.3179.774.1-177.1-173-178.80113.6V19 E20 K21 H25 L28V19-K23 VanDerWaalsContact O-CB 3.25Å; V19-K23 WeakPolarHBondContact O-CB 3.17Å; V19-K23 VanDerWaalsContact O-CG 3.29Å; V19-K23 WeakPolarHBondContact O-CG 3.48Å; V19-K23 PolarHBondContact O-N 3.03Å; E20-K23 VanDerWaalsContact CD-CE 3.42Å; E20-K23 WeakPolarHBondContact O-CG 3.28Å; E20-K23 WeakPolarHBondContact OE1-CE 3.43Å; E20-K23 IonicContact OE1-NZ 3.85Å; E20-K23 PolarHBondContact OE1-NZ 3.21Å; E20-K23 WeakPolarHBondContact OE2-CE 3.32Å; E20-K23 IonicContact OE2-NZ 3.86Å; E20-K23 PolarHBondContact OE2-NZ 2.8Å; K21-K23 PolarHBondContact O-N 2.71Å; K23-H25 VanDerWaalsContact C-N 3.3Å; K23-L28 HydrophobicContact CB-CD1 3.8Å; K23-L28 HydrophobicContact CB-CG 4.42Å
24E95.1Very high97.5Very high124 Ų12460.8 Ų60.858%0.57929%0.285SS*.THydrogen-bonded Turntrans-64.9-35.6177.4-63.9-179.8-169.300111.4K21 L22K21-E24 PolarHBondContact O-N 3.16Å; L22-E24 PolarHBondContact O-N 3.48Å
25H95.5Very high97.4Very high118 Ų11861.5 Ų61.555%0.54629%0.292SS..THydrogen-bonded Turntrans-124.7-8.8-174.8-55.7157000114.3L22 K23 E190L22-H25 PolarHBondContact O-N 3.47Å; L22-H25 VanDerWaalsContact O-N 3.16Å; K23-H25 VanDerWaalsContact C-N 3.3Å; H25-E190 IonicContact CE1-OE1 3.84Å; H25-E190 IonicContact CG-OE1 3.97Å; H25-E190 IonicContact ND1-OE1 2.92Å; H25-E190 PolarHBondContact ND1-OE1 3.32Å; H25-E190 IonicContact ND1-OE2 2.82Å
26H97.4Very high97.4Very high20 Ų2062.6 Ų62.69%0.09330%0.304CS..EExtended strand (participates in β ladder)trans-126.2143.7-174.2-64.2-88.4000112.7N3 C5 L22 L28 E190N3-H26 VanDerWaalsContact CB-ND1 3.28Å; N3-H26 WeakPolarHBondContact CB-ND1 3.39Å; N3-H26 VanDerWaalsContact O-CA 3.25Å; N3-H26 WeakPolarHBondContact O-CA 3.42Å; N3-H26 WeakPolarHBondContact O-CB 3.4Å; N3-H26 PolarHBondContact O-ND1 2.96Å; C5-H26 HydrophobicContact CB-CB 4.16Å; L22-H26 VanDerWaalsContact O-CB 3.29Å; L22-H26 WeakPolarHBondContact O-CB 3.4Å; L22-H26 PolarHBondContact O-N 3.49Å; H26-L28 HydrophobicContact CB-CD2 4.17Å; H26-L28 PolarHBondContact O-N 2.87Å; H26-E190 IonicContact NE2-OE1 2.71Å
27E97.7Very high97.4Very high112 Ų11259.3 Ų59.352%0.52330%0.299SS..EExtended strand (participates in β ladder)trans-79.3116.8165.8-175.5177.6171.400108.4S2 N3 A4 C5S2-E27 PolarHBondContact OG-OE2 3.25Å; N3-E27 PolarHBondContact O-N 3.3Å; A4-E27 CarbonylContact C-O 3.47Å; A4-E27 WeakPolarHBondContact CA-O 3.29Å; C5-E27 PolarHBondContact N-O 2.99Å
28L97.8Very high97.3Very high33 Ų3358.8 Ų58.817%0.17329%0.294CS..EExtended strand (participates in β ladder)trans-99.6132.9-172.7-65.3-177.2000112.3C5 V19 L22 K23 H26 I30C5-L28 HydrophobicContact CB-CD2 3.77Å; C5-L28 WeakPolarHBondContact O-CA 3.33Å; V19-L28 HydrophobicContact CB-CD1 4.12Å; V19-L28 HydrophobicContact CG1-CD1 3.81Å; V19-L28 HydrophobicContact CG2-CD1 4.23Å; V19-L28 WeakPolarHBondContact O-CD1 3.3Å; L22-L28 HydrophobicContact CB-CD1 4.33Å; L22-L28 HydrophobicContact CB-CD2 4Å; K23-L28 HydrophobicContact CB-CD1 3.8Å; K23-L28 HydrophobicContact CB-CG 4.42Å; H26-L28 HydrophobicContact CB-CD2 4.17Å; H26-L28 PolarHBondContact O-N 2.87Å; L28-I30 HydrophobicContact CB-CD1 3.97Å; L28-I30 HydrophobicContact CD1-CD1 4.42Å
29I98.4Very high97.3Very high38 Ų3863.4 Ų63.420%0.19532%0.316CS..EExtended strand (participates in β ladder)trans-110.6112.3167.2-58.2166.1000107.4C5 V6 Q7 D37 V38 V55C5-I29 PolarHBondContact O-N 3.27Å; V6-I29 WeakPolarHBondContact CA-O 3.37Å; V6-I29 HydrophobicContact CG2-CB 4.48Å; Q7-I29 PolarHBondContact N-O 2.77Å; I29-D37 HydrophobicContact CG2-CB 4.29Å; I29-V38 HydrophobicContact CG2-CG1 4.33Å; I29-V38 HydrophobicContact CG2-CG2 4.17Å; I29-V55 HydrophobicContact CD1-CG1 3.82Å; I29-V55 HydrophobicContact CG2-CG2 4.11Å
30I98.5Very high97.3Very high25 Ų2562.2 Ų62.213%0.12831%0.308CS..EExtended strand (participates in β ladder)trans-88.1117.6-175.4-51.2-52.4000109.8Q7 V19 L28 G36 D37 V38Q7-I30 HydrophobicContact CB-CD1 3.96Å; Q7-I30 HydrophobicContact CG-CD1 4.37Å; V19-I30 HydrophobicContact CG1-CD1 4.33Å; V19-I30 HydrophobicContact CG2-CD1 3.49Å; V19-I30 VanDerWaalsContact CG2-CD1 3.49Å; L28-I30 HydrophobicContact CB-CD1 3.97Å; L28-I30 HydrophobicContact CD1-CD1 4.42Å; I30-G36 CarbonylContact O-C 3.4Å; I30-G36 WeakPolarHBondContact O-CA 3.49Å; I30-D37 WeakPolarHBondContact CB-OD2 3.29Å; I30-D37 PolarHBondContact N-OD2 2.94Å; I30-D37 PolarHBondContact O-N 3.46Å; I30-V38 PolarHBondContact O-N 3.07Å
31A98.6Very high97.4Very high1 Ų160.2 Ų60.21%0.00830%0.301CS..EExtended strand (participates in β ladder)trans-106.1142.9176.200000111.4V6 Q7 I8 G9 V38 V40 M51V6-A31 HydrophobicContact CG2-CB 4.22Å; Q7-A31 PolarHBondContact O-N 3.43Å; I8-A31 CarbonylContact C-O 3.54Å; I8-A31 WeakPolarHBondContact CA-O 3.37Å; I8-A31 HydrophobicContact CB-CB 4.48Å; I8-A31 HydrophobicContact CG1-CB 4.06Å; G9-A31 PolarHBondContact N-O 3.18Å; A31-V38 WeakPolarHBondContact CA-O 3.44Å; A31-V38 HydrophobicContact CB-CG2 3.58Å; A31-V40 HydrophobicContact CB-CG1 3.94Å; A31-M51 HydrophobicContact CB-SD 3.63Å
32G98.1Very high97.4Very high9 Ų958.7 Ų58.79%0.09329%0.294CS..EExtended strand (participates in β ladder)trans-167.8165.517500000113.4T34 S35 V38 Q39 V40G32-T34 PolarHBondContact O-N 2.81Å; G32-S35 WeakPolarHBondContact CA-O 3.21Å; G32-S35 PolarHBondContact N-O 2.99Å; G32-V38 PolarHBondContact N-O 3.06Å; G32-Q39 VanDerWaalsContact O-CA 3.26Å; G32-Q39 WeakPolarHBondContact O-CA 3.41Å; G32-V40 PolarHBondContact O-N 3.06Å; G32-V40 VanDerWaalsContact O-N 3.09Å
33R96.8Very high97.4Very high186 Ų18661.8 Ų61.870%0.70231%0.314SS*.SBendtrans-61.7-42.6-174.4-172172.564.3176.50.1113.7V40R33-V40 VanDerWaalsContact CA-O 3.25Å; R33-V40 WeakPolarHBondContact CA-O 3.07Å; R33-V40 PolarHBondContact N-O 3.01Å
34T95.3Very high97.5Very high118 Ų11858.7 Ų58.772%0.72431%0.305SS*.SBendtrans-124.2-5.4-173.356.50000113.6G32G32-T34 PolarHBondContact O-N 2.81Å
35S94.9Very high97.7Very high41 Ų4156 Ų5629%0.28730%0.297SS..SBendtrans-162.3160.9-176.460.30000111.4K11 G32K11-S35 WeakPolarHBondContact CD-OG 3.27Å; G32-S35 WeakPolarHBondContact CA-O 3.21Å; G32-S35 PolarHBondContact N-O 2.99Å
36G96.3Very high97.8Very high24 Ų2457.1 Ų57.125%0.24730%0.303CS..SBendtrans121.7177.1-168.500000110.1I30 V38 Q39I30-G36 CarbonylContact O-C 3.4Å; I30-G36 WeakPolarHBondContact O-CA 3.49Å; G36-V38 VanDerWaalsContact C-N 3.26Å; G36-Q39 PolarHBondContact O-NE2 2.99Å; G36-Q39 VanDerWaalsContact O-NE2 3.16Å
37D98.2Very high97.9Very high98 Ų9857.7 Ų57.752%0.52431%0.308SS..SBendtrans-68.6-30176.4-50.5-50.2000111.3I29 I30I29-D37 HydrophobicContact CG2-CB 4.29Å; I30-D37 WeakPolarHBondContact CB-OD2 3.29Å; I30-D37 PolarHBondContact N-OD2 2.94Å; I30-D37 PolarHBondContact O-N 3.46Å
38V98.2Very high97.9Very high8 Ų852.3 Ų52.35%0.04828%0.284CS..EExtended strand (participates in β ladder)trans-135.2152.4174.2-59.60000111.4I29 I30 A31 G32 G36 M51 K54 V55I29-V38 HydrophobicContact CG2-CG1 4.33Å; I29-V38 HydrophobicContact CG2-CG2 4.17Å; I30-V38 PolarHBondContact O-N 3.07Å; A31-V38 WeakPolarHBondContact CA-O 3.44Å; A31-V38 HydrophobicContact CB-CG2 3.58Å; G32-V38 PolarHBondContact N-O 3.06Å; G36-V38 VanDerWaalsContact C-N 3.26Å; V38-M51 HydrophobicContact CB-CG 4.35Å; V38-M51 HydrophobicContact CG2-CG 3.75Å; V38-M51 HydrophobicContact CG2-SD 4.26Å; V38-K54 HydrophobicContact CG1-CD 3.9Å; V38-K54 HydrophobicContact CG1-CG 4.43Å; V38-V55 HydrophobicContact CG1-CG2 4.08Å; V38-V55 HydrophobicContact CG2-CG2 4Å
39Q98.2Very high98Very high97 Ų9754.3 Ų54.345%0.45329%0.292SS..EExtended strand (participates in β ladder)trans-102139.1-179.3-74.461.351.500110.3G32 G36G32-Q39 VanDerWaalsContact O-CA 3.26Å; G32-Q39 WeakPolarHBondContact O-CA 3.41Å; G36-Q39 PolarHBondContact O-NE2 2.99Å; G36-Q39 VanDerWaalsContact O-NE2 3.16Å
40V98.7Very high98Very high5 Ų556.3 Ų56.33%0.0331%0.306CS..  trans-148.6130.1175.765.20000111.2I8 A31 G32 R33 L42 I48 M51I8-V40 HydrophobicContact CG2-CG1 4.01Å; A31-V40 HydrophobicContact CB-CG1 3.94Å; G32-V40 PolarHBondContact O-N 3.06Å; G32-V40 VanDerWaalsContact O-N 3.09Å; R33-V40 VanDerWaalsContact CA-O 3.25Å; R33-V40 WeakPolarHBondContact CA-O 3.07Å; R33-V40 PolarHBondContact N-O 3.01Å; V40-L42 HydrophobicContact CG2-CD2 4.27Å; V40-I48 HydrophobicContact CG2-CG1 3.96Å; V40-M51 HydrophobicContact CB-CB 4.22Å; V40-M51 HydrophobicContact CB-CG 4.21Å; V40-M51 HydrophobicContact CB-SD 3.59Å; V40-M51 VanDerWaalsContact CB-SD 3.59Å; V40-M51 HydrophobicContact CG1-SD 3.77Å; V40-M51 HydrophobicContact CG2-CB 4.24Å; V40-M51 HydrophobicContact CG2-CE 4.5Å; V40-M51 HydrophobicContact CG2-SD 3.85Å
41D98.5Very high98Very high58 Ų5855.3 Ų55.331%0.3130%0.301SS..  trans-100108.5163.6-174.8-5.7000109T43 S44 S47D41-T43 PolarHBondContact O-N 2.91Å; D41-T43 VanDerWaalsContact O-N 3.12Å; D41-T43 WeakPolarHBondContact OD1-CB 3.42Å; D41-T43 PolarHBondContact OD1-N 2.68Å; D41-T43 PolarHBondContact OD1-OG1 3.26Å; D41-T43 PolarHBondContact OD2-OG1 3.08Å; D41-T43 VanDerWaalsContact OD2-OG1 3.12Å; D41-S44 PolarHBondContact O-N 2.84Å; D41-S47 PolarHBondContact N-OG 3.07Å
42L98.2Very high98Very high12 Ų1255.2 Ų55.26%0.06330%0.3CS..THydrogen-bonded Turntrans-64-15.2179.2-68.7-179.1000113.4I8 V40 S44 I48 G91 L95I8-L42 HydrophobicContact CG2-CD1 4.18Å; I8-L42 HydrophobicContact CG2-CD2 4.31Å; I8-L42 HydrophobicContact CG2-CG 4.41Å; V40-L42 HydrophobicContact CG2-CD2 4.27Å; L42-S44 VanDerWaalsContact C-N 3.28Å; L42-I48 HydrophobicContact CD2-CD1 4.25Å; L42-I48 HydrophobicContact CD2-CG1 4.25Å; L42-G91 WeakPolarHBondContact O-CA 3.41Å; L42-L95 HydrophobicContact CD2-CB 4.47Å; L42-L95 HydrophobicContact CD2-CD1 4.19Å
43T98.4Very high98Very high66 Ų6661.2 Ų61.241%0.40532%0.324SS..THydrogen-bonded Turntrans-82.3-6.7175.470.70000113.1D41 Q86D41-T43 PolarHBondContact O-N 2.91Å; D41-T43 VanDerWaalsContact O-N 3.12Å; D41-T43 WeakPolarHBondContact OD1-CB 3.42Å; D41-T43 PolarHBondContact OD1-N 2.68Å; D41-T43 PolarHBondContact OD1-OG1 3.26Å; D41-T43 PolarHBondContact OD2-OG1 3.08Å; D41-T43 VanDerWaalsContact OD2-OG1 3.12Å; T43-Q86 HydrophobicContact CG2-CB 4.31Å
44S98.6Very high98.1Very high39 Ų3959.3 Ų59.327%0.27332%0.32SS..  trans-119.2115179.3171.40000111.4D41 L42 E46 S47 I48D41-S44 PolarHBondContact O-N 2.84Å; L42-S44 VanDerWaalsContact C-N 3.28Å; S44-E46 VanDerWaalsContact C-N 3.27Å; S44-E46 PolarHBondContact O-N 2.92Å; S44-S47 WeakPolarHBondContact O-CB 3.34Å; S44-S47 PolarHBondContact O-N 2.87Å; S44-S47 VanDerWaalsContact O-N 3.11Å; S44-S47 PolarHBondContact OG-N 3.15Å; S44-I48 WeakPolarHBondContact O-CG1 3.36Å; S44-I48 PolarHBondContact O-N 3.42Å; S44-I48 VanDerWaalsContact O-N 3.09Å
45V98.6Very high98.2Very high67 Ų6754.8 Ų54.841%0.40629%0.293SS..Hα-helixtrans-55.5-43.6174165.80000111.2S47 I48 E49 I98V45-S47 VanDerWaalsContact C-N 3.31Å; V45-S47 PolarHBondContact O-N 3.48Å; V45-I48 PolarHBondContact O-N 3Å; V45-E49 HydrophobicContact CG1-CG 4.5Å; V45-E49 WeakPolarHBondContact O-CG 3.49Å; V45-E49 PolarHBondContact O-N 2.94Å; V45-I98 HydrophobicContact CB-CD1 4.49Å; V45-I98 HydrophobicContact CG1-CD1 3.91Å
46E98.8Very high98.4Very high143 Ų14354 Ų5467%0.66829%0.291SS*.Hα-helixtrans-61.8-38.7177.7-175.9-177.3-178.600112.1S44 E49 T50S44-E46 VanDerWaalsContact C-N 3.27Å; S44-E46 PolarHBondContact O-N 2.92Å; E46-E49 PolarHBondContact O-N 3.27Å; E46-T50 VanDerWaalsContact O-CB 3.32Å; E46-T50 WeakPolarHBondContact O-CB 3.43Å; E46-T50 PolarHBondContact O-N 2.78Å; E46-T50 PolarHBondContact O-OG1 2.99Å
47S98.8Very high98.4Very high31 Ų3160 Ų6022%0.21731%0.307CS..Hα-helixtrans-64.3-43.2176.2-172.80000111.6D41 S44 V45 T50 M51D41-S47 PolarHBondContact N-OG 3.07Å; S44-S47 WeakPolarHBondContact O-CB 3.34Å; S44-S47 PolarHBondContact O-N 2.87Å; S44-S47 VanDerWaalsContact O-N 3.11Å; S44-S47 PolarHBondContact OG-N 3.15Å; V45-S47 VanDerWaalsContact C-N 3.31Å; V45-S47 PolarHBondContact O-N 3.48Å; S47-T50 PolarHBondContact O-N 2.97Å; S47-M51 WeakPolarHBondContact O-CB 3.46Å; S47-M51 PolarHBondContact O-N 3.4Å
48I98.8Very high98.4Very high0 Ų055.4 Ų55.40%028%0.282CS..Hα-helixtrans-63.1-45.6176.4-61.9167.8000110.7V40 L42 S44 V45 T50 M51 F52 N94 L95 I98V40-I48 HydrophobicContact CG2-CG1 3.96Å; L42-I48 HydrophobicContact CD2-CD1 4.25Å; L42-I48 HydrophobicContact CD2-CG1 4.25Å; S44-I48 WeakPolarHBondContact O-CG1 3.36Å; S44-I48 PolarHBondContact O-N 3.42Å; S44-I48 VanDerWaalsContact O-N 3.09Å; V45-I48 PolarHBondContact O-N 3Å; I48-T50 VanDerWaalsContact C-N 3.35Å; I48-T50 PolarHBondContact O-N 3.26Å; I48-M51 PolarHBondContact O-N 3.29Å; I48-F52 HydrophobicContact CG2-CD2 3.79Å; I48-F52 HydrophobicContact CG2-CE2 3.66Å; I48-F52 VanDerWaalsContact O-CD2 3.32Å; I48-F52 WeakPolarHBondContact O-CD2 3.26Å; I48-F52 PolarHBondContact O-N 3.18Å; I48-F52 VanDerWaalsContact O-N 3.09Å; I48-N94 HydrophobicContact CD1-CB 3.91Å; I48-L95 HydrophobicContact CG2-CD1 4.09Å; I48-I98 HydrophobicContact CB-CD1 3.81Å; I48-I98 HydrophobicContact CD1-CD1 4.38Å; I48-I98 HydrophobicContact CG2-CB 4.03Å; I48-I98 HydrophobicContact CG2-CD1 3.63Å; I48-I98 HydrophobicContact CG2-CG1 4.45Å; I48-I98 HydrophobicContact CG2-CG2 4.08Å
49E98.8Very high98.4Very high75 Ų7556.6 Ų56.635%0.3529%0.289SS..Hα-helixtrans-60.5-44.4176.5-72.4-173.5169.800112.1V45 E46 M51 F52 K53 I98V45-E49 HydrophobicContact CG1-CG 4.5Å; V45-E49 WeakPolarHBondContact O-CG 3.49Å; V45-E49 PolarHBondContact O-N 2.94Å; E46-E49 PolarHBondContact O-N 3.27Å; E49-M51 VanDerWaalsContact C-N 3.35Å; E49-F52 PolarHBondContact O-N 3.43Å; E49-K53 WeakPolarHBondContact O-CG 3.28Å; E49-K53 PolarHBondContact O-N 2.82Å; E49-I98 HydrophobicContact CG-CD1 4.16Å; E49-I98 HydrophobicContact CG-CG1 4.41Å; E49-I98 HydrophobicContact CG-CG2 3.83Å
50T98.7Very high98.5Very high79 Ų7952 Ų5249%0.48527%0.267SS..Hα-helixtrans-63.2-42.2179-610000111.4E46 S47 I48 K53 K54E46-T50 VanDerWaalsContact O-CB 3.32Å; E46-T50 WeakPolarHBondContact O-CB 3.43Å; E46-T50 PolarHBondContact O-N 2.78Å; E46-T50 PolarHBondContact O-OG1 2.99Å; S47-T50 PolarHBondContact O-N 2.97Å; I48-T50 VanDerWaalsContact C-N 3.35Å; I48-T50 PolarHBondContact O-N 3.26Å; T50-K53 PolarHBondContact O-N 2.85Å; T50-K54 PolarHBondContact O-N 2.96Å; T50-K54 VanDerWaalsContact O-N 3.14Å
51M98.8Very high98.5Very high4 Ų451.8 Ų51.82%0.0227%0.266CS..Hα-helixtrans-57.2-52.1174.5-178.1-160.967.100110.7A31 V38 V40 S47 I48 E49 K53 K54 V55 L95A31-M51 HydrophobicContact CB-SD 3.63Å; V38-M51 HydrophobicContact CB-CG 4.35Å; V38-M51 HydrophobicContact CG2-CG 3.75Å; V38-M51 HydrophobicContact CG2-SD 4.26Å; V40-M51 HydrophobicContact CB-CB 4.22Å; V40-M51 HydrophobicContact CB-CG 4.21Å; V40-M51 HydrophobicContact CB-SD 3.59Å; V40-M51 VanDerWaalsContact CB-SD 3.59Å; V40-M51 HydrophobicContact CG1-SD 3.77Å; V40-M51 HydrophobicContact CG2-CB 4.24Å; V40-M51 HydrophobicContact CG2-CE 4.5Å; V40-M51 HydrophobicContact CG2-SD 3.85Å; S47-M51 WeakPolarHBondContact O-CB 3.46Å; S47-M51 PolarHBondContact O-N 3.4Å; I48-M51 PolarHBondContact O-N 3.29Å; E49-M51 VanDerWaalsContact C-N 3.35Å; M51-K53 PolarHBondContact O-N 2.61Å; M51-K54 WeakPolarHBondContact O-CB 3.43Å; M51-K54 PolarHBondContact O-N 3.35Å; M51-K54 VanDerWaalsContact O-N 3.1Å; M51-V55 HydrophobicContact CG-CG2 4.18Å; M51-V55 WeakPolarHBondContact O-CG2 3.46Å; M51-V55 PolarHBondContact O-N 2.76Å; M51-L95 HydrophobicContact CE-CD1 4.01Å
52F98.8Very high98.5Very high0 Ų049 Ų490%025%0.251CS..Hα-helixtrans-66.6-35.4-177.9-79-62000113.6V6 I48 E49 K54 V55 G56 I61 L95 I98 Y102V6-F52 HydrophobicContact CG1-CE1 4.16Å; I48-F52 HydrophobicContact CG2-CD2 3.79Å; I48-F52 HydrophobicContact CG2-CE2 3.66Å; I48-F52 VanDerWaalsContact O-CD2 3.32Å; I48-F52 WeakPolarHBondContact O-CD2 3.26Å; I48-F52 PolarHBondContact O-N 3.18Å; I48-F52 VanDerWaalsContact O-N 3.09Å; E49-F52 PolarHBondContact O-N 3.43Å; F52-K54 PolarHBondContact O-N 3.04Å; F52-V55 PolarHBondContact O-N 2.86Å; F52-G56 PolarHBondContact O-N 3.34Å; F52-I61 HydrophobicContact CE1-CD1 3.78Å; F52-I61 HydrophobicContact CE1-CG1 4.08Å; F52-I61 HydrophobicContact CZ-CD1 3.75Å; F52-I61 HydrophobicContact CZ-CG1 4.25Å; F52-I61 HydrophobicContact CZ-CG2 4.32Å; F52-L95 HydrophobicContact CE2-CD1 3.69Å; F52-L95 HydrophobicContact CE2-CG 4.5Å; F52-L95 HydrophobicContact CZ-CD1 3.73Å; F52-L95 HydrophobicContact CZ-CG 4.39Å; F52-I98 HydrophobicContact CD2-CG2 3.87Å; F52-I98 HydrophobicContact CE2-CG2 4.45Å; F52-Y102 HydrophobicContact CB-CD1 3.96Å; F52-Y102 HydrophobicContact CB-CD2 3.52Å; F52-Y102 HydrophobicContact CB-CE1 3.97Å; F52-Y102 HydrophobicContact CB-CE2 3.53Å; F52-Y102 HydrophobicContact CB-CG 3.74Å; F52-Y102 HydrophobicContact CD1-CD2 4.26Å; F52-Y102 HydrophobicContact CD1-CG 4.14Å; F52-Y102 HydrophobicContact CD2-CD2 4.46Å; F52-Y102 AromaticContact CG-CD2 3.87Å; F52-Y102 HydrophobicContact CG-CD2 3.87Å; F52-Y102 HydrophobicContact CG-CE2 4.27Å; F52-Y102 HydrophobicContact CG-CG 4.13Å; F52-Y102 WeakPolarHBondContact O-CE1 3.15Å
53K98.5Very high98.5Very high135 Ų13548.4 Ų48.459%0.58725%0.248SC*.Hα-helixtrans-58.5-36.8171.3-73.2170.3-173.41650112.1E49 T50 M51 Y102E49-K53 WeakPolarHBondContact O-CG 3.28Å; E49-K53 PolarHBondContact O-N 2.82Å; T50-K53 PolarHBondContact O-N 2.85Å; M51-K53 PolarHBondContact O-N 2.61Å; K53-Y102 WeakPolarHBondContact CG-OH 3.1Å
54K98Very high98.5Very high145 Ų14546.3 Ų46.363%0.6324%0.237SC*.Hα-helixtrans-76.4-40.9177.5-172.9-178.4177.5-168.90112.6V38 T50 M51 F52V38-K54 HydrophobicContact CG1-CD 3.9Å; V38-K54 HydrophobicContact CG1-CG 4.43Å; T50-K54 PolarHBondContact O-N 2.96Å; T50-K54 VanDerWaalsContact O-N 3.14Å; M51-K54 WeakPolarHBondContact O-CB 3.43Å; M51-K54 PolarHBondContact O-N 3.35Å; M51-K54 VanDerWaalsContact O-N 3.1Å; F52-K54 PolarHBondContact O-N 3.04Å
55V97.9Very high98.4Very high24 Ų2446.1 Ų46.115%0.14524%0.236CC..Hα-helixtrans-71.7-38.5-177.9168.30000111.9V6 I29 V38 M51 F52 V58V6-V55 HydrophobicContact CB-CG1 4.48Å; V6-V55 HydrophobicContact CG2-CG2 4.5Å; I29-V55 HydrophobicContact CD1-CG1 3.82Å; I29-V55 HydrophobicContact CG2-CG2 4.11Å; V38-V55 HydrophobicContact CG1-CG2 4.08Å; V38-V55 HydrophobicContact CG2-CG2 4Å; M51-V55 HydrophobicContact CG-CG2 4.18Å; M51-V55 WeakPolarHBondContact O-CG2 3.46Å; M51-V55 PolarHBondContact O-N 2.76Å; F52-V55 PolarHBondContact O-N 2.86Å; V55-V58 HydrophobicContact CG1-CG1 3.63Å
56G97.8Very high98.3Very high24 Ų2444.2 Ų44.225%0.24723%0.23CC..  trans76-154-172.800000112.5F52F52-G56 PolarHBondContact O-N 3.34Å
57Y97.9Very high98.2Very high151 Ų15141.1 Ų41.159%0.59222%0.221SC*.  trans-78.9138-176-68.6-79.5000112.7Y102 R104Y57-Y102 VanDerWaalsContact CA-O 3.26Å; Y57-Y102 WeakPolarHBondContact CA-O 3.49Å; Y57-R104 PolarHBondContact O-NH2 3.25Å
58V98.3Very high98.1Very high0 Ų040.6 Ų40.60%022%0.218CC..EExtended strand (participates in β ladder)trans-132.1162.9178.4-650000111.4A4 V6 V55 I61 Y102 L103 R104A4-V58 HydrophobicContact CB-CG1 4.36Å; V6-V58 HydrophobicContact CB-CG1 4.44Å; V6-V58 HydrophobicContact CG1-CG2 4.16Å; V55-V58 HydrophobicContact CG1-CG1 3.63Å; V58-I61 HydrophobicContact CG2-CG1 3.88Å; V58-Y102 PolarHBondContact N-O 3.32Å; V58-L103 HydrophobicContact CG2-CD2 4.15Å; V58-L103 WeakPolarHBondContact O-CA 3.23Å; V58-R104 PolarHBondContact O-N 2.98Å
59D98.2Very high97.9Very high33 Ų3344 Ų4418%0.17623%0.233CC..EExtended strand (participates in β ladder)trans-94.3-22.6176.5-51.5-59.4000111.6N3 A4 R104 G107 S108N3-D59 WeakPolarHBondContact CA-OD2 3.48Å; N3-D59 HydrophobicContact CB-CB 4.48Å; A4-D59 PolarHBondContact N-OD2 3.32Å; A4-D59 WeakPolarHBondContact O-CA 3.41Å; A4-D59 WeakPolarHBondContact O-CB 3.2Å; A4-D59 PolarHBondContact O-N 3.13Å; D59-R104 VanDerWaalsContact OD1-CD 3.28Å; D59-R104 WeakPolarHBondContact OD1-CD 3.48Å; D59-R104 IonicContact OD1-CZ 2.76Å; D59-R104 IonicContact OD1-NE 2.79Å; D59-R104 IonicContact OD1-NH1 2.98Å; D59-R104 PolarHBondContact OD1-NH1 3.14Å; D59-R104 IonicContact OD2-NH1 2.61Å; D59-R104 PolarHBondContact OD2-NH1 3.46Å; D59-G107 CarbonylContact O-C 3.59Å; D59-G107 WeakPolarHBondContact O-CA 3.32Å; D59-S108 PolarHBondContact O-N 2.81Å
60A98.7Very high97.7Very high1 Ų144.4 Ų44.41%0.00823%0.234CC..EExtended strand (participates in β ladder)trans-143.8143.8175.400000112.9A4 C5 V6 S108 V189A4-A60 PolarHBondContact O-N 3.06Å; C5-A60 WeakPolarHBondContact CA-O 3.48Å; C5-A60 HydrophobicContact CB-CB 3.98Å; V6-A60 PolarHBondContact N-O 3.15Å; A60-S108 CarbonylContact C-O 3.54Å; A60-S108 VanDerWaalsContact CA-O 3.29Å; A60-S108 WeakPolarHBondContact CA-O 3.36Å; A60-S108 WeakPolarHBondContact CB-OG 3.24Å; A60-V189 HydrophobicContact CB-CG1 3.91Å; A60-V189 HydrophobicContact CB-CG2 4.31Å
61I98.8Very high97.6Very high0 Ų042.5 Ų42.50%022%0.22CC..EExtended strand (participates in β ladder)trans-116.9118.2169-61.3166.9000107.2V6 I8 F52 V58 L95 G99 L103 S108 I109 T110V6-I61 HydrophobicContact CG1-CB 4.09Å; V6-I61 HydrophobicContact CG1-CG1 3.75Å; V6-I61 HydrophobicContact CG1-CG2 4.09Å; I8-I61 HydrophobicContact CD1-CG2 4.03Å; F52-I61 HydrophobicContact CE1-CD1 3.78Å; F52-I61 HydrophobicContact CE1-CG1 4.08Å; F52-I61 HydrophobicContact CZ-CD1 3.75Å; F52-I61 HydrophobicContact CZ-CG1 4.25Å; F52-I61 HydrophobicContact CZ-CG2 4.32Å; V58-I61 HydrophobicContact CG2-CG1 3.88Å; I61-L95 HydrophobicContact CG2-CD2 3.86Å; I61-L95 HydrophobicContact CG2-CG 4.05Å; I61-G99 WeakPolarHBondContact CD1-O 3.39Å; I61-L103 HydrophobicContact CD1-CD1 4.07Å; I61-L103 HydrophobicContact CD1-CD2 4.12Å; I61-L103 HydrophobicContact CD1-CG 3.79Å; I61-L103 HydrophobicContact CG1-CD2 4.02Å; I61-L103 HydrophobicContact CG1-CG 4.26Å; I61-S108 PolarHBondContact N-O 3.48Å; I61-I109 HydrophobicContact CB-CG1 4.4Å; I61-I109 HydrophobicContact CD1-CG1 4.46Å; I61-I109 CarbonylContact O-C 3.3Å; I61-I109 VanDerWaalsContact O-CA 3.31Å; I61-I109 WeakPolarHBondContact O-CA 3.39Å; I61-T110 PolarHBondContact O-N 2.72Å
62V98.9Very high97.5Very high0 Ų045.3 Ų45.30%024%0.238CC..EExtended strand (participates in β ladder)trans-122.6126.2-179.5-1760000109.6V6 Q7 I8 I18 L22 F185 V189V6-V62 PolarHBondContact O-N 3.02Å; Q7-V62 CarbonylContact C-O 3.55Å; Q7-V62 WeakPolarHBondContact CA-O 3.29Å; I8-V62 WeakPolarHBondContact CD1-O 3.25Å; I8-V62 PolarHBondContact N-O 3.12Å; I18-V62 HydrophobicContact CD1-CG1 4.36Å; I18-V62 HydrophobicContact CG2-CG1 4.22Å; L22-V62 HydrophobicContact CD1-CG2 4.13Å; V62-F185 HydrophobicContact CG1-CD1 3.45Å; V62-F185 VanDerWaalsContact CG1-CD1 3.45Å; V62-F185 HydrophobicContact CG1-CE1 3.92Å; V62-F185 HydrophobicContact CG1-CG 4.4Å; V62-V189 HydrophobicContact CG2-CG2 3.56Å
63N98.8Very high97.4Very high0 Ų051.2 Ų51.20%027%0.268CS..EExtended strand (participates in β ladder)trans-118.5119.4178.7179.558.9000112.3I8 S65 Q92 L95 T110 L111 T112I8-N63 HydrophobicContact CB-CB 4.38Å; I8-N63 WeakPolarHBondContact CB-OD1 3.46Å; I8-N63 WeakPolarHBondContact CG2-OD1 3.44Å; N63-S65 PolarHBondContact ND2-O 3.43Å; N63-S65 WeakPolarHBondContact OD1-CB 3.19Å; N63-S65 PolarHBondContact OD1-N 2.8Å; N63-S65 VanDerWaalsContact OD1-N 3.1Å; N63-Q92 VanDerWaalsContact ND2-CG 3.26Å; N63-Q92 WeakPolarHBondContact ND2-CG 3.44Å; N63-Q92 PolarHBondContact ND2-OE1 3.34Å; N63-L95 HydrophobicContact CB-CD2 3.6Å; N63-T110 PolarHBondContact N-O 2.79Å; N63-L111 HydrophobicContact CB-CD2 4.24Å; N63-T112 PolarHBondContact O-N 3.44Å; N63-T112 PolarHBondContact O-OG1 2.85Å
64A98.2Very high97.4Very high21 Ų2153.8 Ų53.817%0.17428%0.283CS..  trans-11825.617000000112.1I8 I14 I18 T112I8-A64 PolarHBondContact O-N 3.21Å; I14-A64 HydrophobicContact CB-CB 4.38Å; I14-A64 HydrophobicContact CG2-CB 4.21Å; I18-A64 HydrophobicContact CD1-CB 3.66Å; A64-T112 WeakPolarHBondContact CA-OG1 3.49Å
65S97.2Very high97.4Very high35 Ų3552.7 Ų52.725%0.24528%0.28CS..  trans-112.5161.2174.3-63.30000112.2G9 N63G9-S65 WeakPolarHBondContact CA-OG 3.41Å; G9-S65 PolarHBondContact N-OG 3.06Å; N63-S65 PolarHBondContact ND2-O 3.43Å; N63-S65 WeakPolarHBondContact OD1-CB 3.19Å; N63-S65 PolarHBondContact OD1-N 2.8Å; N63-S65 VanDerWaalsContact OD1-N 3.1Å
66G95.8Very high97.4Very high28 Ų2853.3 Ų53.329%0.28928%0.281SS..  trans142.2130.4176.300000110
67T96.5Very high97.4Very high78 Ų7854.8 Ų54.848%0.47929%0.285SS..  trans-112.2141.5-175-53.40000110.2V83 A84 S87 K88T67-V83 HydrophobicContact CG2-CG1 4.3Å; T67-A84 WeakPolarHBondContact O-CA 3.4Å; T67-S87 PolarHBondContact N-OG 2.99Å; T67-K88 WeakPolarHBondContact O-CB 3.22Å; T67-K88 PolarHBondContact O-N 2.93Å
68A96.5Very high97.4Very high19 Ų1952 Ų5216%0.15729%0.286CS..  trans-133.1148.6169.200000108.8A84 K88 A127A68-A84 HydrophobicContact CB-CB 3.65Å; A68-K88 HydrophobicContact CB-CD 4.21Å; A68-A127 HydrophobicContact CB-CB 3.75Å
69K95Very high97.4Very high73 Ų7358.1 Ų58.132%0.31732%0.315SS..  trans-85138.6170.5-167-178.1-179.8-169.10109.2D80 V83K69-D80 HydrophobicContact CD-CB 3.76Å; K69-D80 VanDerWaalsContact CD-CG 3.49Å; K69-D80 VanDerWaalsContact CD-OD1 3.29Å; K69-D80 WeakPolarHBondContact CD-OD1 3.4Å; K69-D80 WeakPolarHBondContact CE-OD1 3.32Å; K69-D80 IonicContact NZ-OD1 2.63Å; K69-D80 PolarHBondContact NZ-OD1 3.39Å; K69-D80 IonicContact NZ-OD2 2.74Å; K69-D80 PolarHBondContact NZ-OD2 3.34Å; K69-V83 HydrophobicContact CB-CB 4.44Å
70F95.6Very high97.4Very high82 Ų8258 Ų5836%0.3631%0.314SS..  trans-102.2119.8173-74.563.8000107.6M116 I121 G123 A127F70-M116 HydrophobicContact CE2-CE 4.17Å; F70-M116 HydrophobicContact CE2-SD 3.58Å; F70-M116 VanDerWaalsContact CE2-SD 3.58Å; F70-M116 HydrophobicContact CZ-CE 3.66Å; F70-M116 HydrophobicContact CZ-SD 3.72Å; F70-I121 HydrophobicContact CD2-CD1 4.31Å; F70-I121 HydrophobicContact CE2-CD1 3.85Å; F70-G123 WeakPolarHBondContact CA-O 3.37Å; F70-A127 HydrophobicContact CE1-CB 4.47Å; F70-A127 HydrophobicContact CZ-CB 4.42Å
71Q96.1Very high97.4Very high40 Ų4060.2 Ų60.219%0.18733%0.326CS..  trans-154.5134-177-167.974.145.700108.8E75 M76 G123Q71-E75 HydrophobicContact CG-CB 3.92Å; Q71-E75 PolarHBondContact NE2-OE2 2.89Å; Q71-M76 HydrophobicContact CB-CB 4.23Å; Q71-M76 HydrophobicContact CB-CE 4.04Å; Q71-M76 HydrophobicContact CB-CG 4.42Å; Q71-M76 HydrophobicContact CG-CB 4.21Å; Q71-M76 WeakPolarHBondContact O-CE 3.48Å; Q71-G123 VanDerWaalsContact C-CA 3.44Å; Q71-G123 PolarHBondContact N-O 3.09Å; Q71-G123 VanDerWaalsContact N-O 3.08Å; Q71-G123 WeakPolarHBondContact O-CA 3.4Å
72P96.9Very high97.3Very high62 Ų6264.3 Ų64.340%0.40335%0.347SS..  trans-49.1142.4169.5-26.935.6000111.6E74 E75 M76P72-E74 PolarHBondContact O-N 3.01Å; P72-E75 PolarHBondContact O-N 3.32Å; P72-M76 PolarHBondContact O-N 2.85Å
73I96.5Very high97.3Very high124 Ų12467.1 Ų67.164%0.63636%0.364SS*.THydrogen-bonded Turntrans-61.7-32.8-172.1-165.271.6000112.5E75 M76 A125I73-E75 PolarHBondContact O-N 2.83Å; I73-M76 PolarHBondContact O-N 2.95Å; I73-A125 HydrophobicContact CD1-CB 4.02Å
74E97.5Very high97.3Very high190 Ų19067.1 Ų67.189%0.88836%0.364SS*.THydrogen-bonded Turntrans-69.6-19.4178.3-61.6-174.1171.300113.2P72P72-E74 PolarHBondContact O-N 3.01Å
75E97.9Very high97.3Very high122 Ų12267.5 Ų67.557%0.5736%0.364SS*.THydrogen-bonded Turntrans-107.5-8-179.5-62.8176.2-17100112.7Q71 P72 I73 T77Q71-E75 HydrophobicContact CG-CB 3.92Å; Q71-E75 PolarHBondContact NE2-OE2 2.89Å; P72-E75 PolarHBondContact O-N 3.32Å; I73-E75 PolarHBondContact O-N 2.83Å; E75-T77 PolarHBondContact O-N 2.95Å
76M97.9Very high97.4Very high36 Ų3669.8 Ų69.818%0.17737%0.371CS..  trans-78.6120.8-174.5-171.1179.5-60.300111.2Q71 P72 I73 D80 N81 A125Q71-M76 HydrophobicContact CB-CB 4.23Å; Q71-M76 HydrophobicContact CB-CE 4.04Å; Q71-M76 HydrophobicContact CB-CG 4.42Å; Q71-M76 HydrophobicContact CG-CB 4.21Å; Q71-M76 WeakPolarHBondContact O-CE 3.48Å; P72-M76 PolarHBondContact O-N 2.85Å; I73-M76 PolarHBondContact O-N 2.95Å; M76-D80 HydrophobicContact CG-CB 4.1Å; M76-N81 HydrophobicContact SD-CB 4.24Å; M76-A125 HydrophobicContact CE-CB 4.46Å
77T98.4Very high97.5Very high55 Ų5569.2 Ų69.234%0.33736%0.363SS..  trans-87.7163.9173.784.60000112E75 E79 D80 N81E75-T77 PolarHBondContact O-N 2.95Å; T77-E79 VanDerWaalsContact C-N 3.27Å; T77-E79 VanDerWaalsContact CB-OE2 3.29Å; T77-E79 WeakPolarHBondContact CB-OE2 3.48Å; T77-E79 PolarHBondContact O-N 2.82Å; T77-E79 PolarHBondContact OG1-N 2.86Å; T77-E79 PolarHBondContact OG1-OE2 2.93Å; T77-D80 WeakPolarHBondContact O-CB 3.37Å; T77-D80 PolarHBondContact O-N 2.92Å; T77-D80 PolarHBondContact OG1-N 2.92Å; T77-N81 PolarHBondContact O-N 3.38Å; T77-N81 VanDerWaalsContact O-N 3.07Å
78P98.3Very high97.6Very high94 Ų9466.8 Ų66.861%0.6135%0.345SS*.Hα-helixtrans-55.2-39.4169.9-27.837.4000113.6D80 N81 L82P78-D80 VanDerWaalsContact C-N 3.34Å; P78-D80 PolarHBondContact O-N 2.87Å; P78-N81 PolarHBondContact O-N 2.86Å; P78-L82 WeakPolarHBondContact O-CG 3.22Å; P78-L82 PolarHBondContact O-N 3.33Å
79E98.2Very high97.7Very high127 Ų12767.1 Ų67.159%0.59335%0.345SS*.Hα-helixtrans-65.1-39.3178.5-60.869-148.700111.5T77 N81 L82T77-E79 VanDerWaalsContact C-N 3.27Å; T77-E79 VanDerWaalsContact CB-OE2 3.29Å; T77-E79 WeakPolarHBondContact CB-OE2 3.48Å; T77-E79 PolarHBondContact O-N 2.82Å; T77-E79 PolarHBondContact OG1-N 2.86Å; T77-E79 PolarHBondContact OG1-OE2 2.93Å; E79-N81 VanDerWaalsContact C-N 3.33Å; E79-L82 WeakPolarHBondContact O-CB 3.22Å; E79-L82 PolarHBondContact O-N 3.15Å
80D97.5Very high97.9Very high31 Ų3166.6 Ų66.617%0.16635%0.345CS..Hα-helixtrans-62.2-42.9173.9-77-20.8000111.7K69 M76 T77 P78 L82 V83K69-D80 HydrophobicContact CD-CB 3.76Å; K69-D80 VanDerWaalsContact CD-CG 3.49Å; K69-D80 VanDerWaalsContact CD-OD1 3.29Å; K69-D80 WeakPolarHBondContact CD-OD1 3.4Å; K69-D80 WeakPolarHBondContact CE-OD1 3.32Å; K69-D80 IonicContact NZ-OD1 2.63Å; K69-D80 PolarHBondContact NZ-OD1 3.39Å; K69-D80 IonicContact NZ-OD2 2.74Å; K69-D80 PolarHBondContact NZ-OD2 3.34Å; M76-D80 HydrophobicContact CG-CB 4.1Å; T77-D80 WeakPolarHBondContact O-CB 3.37Å; T77-D80 PolarHBondContact O-N 2.92Å; T77-D80 PolarHBondContact OG1-N 2.92Å; P78-D80 VanDerWaalsContact C-N 3.34Å; P78-D80 PolarHBondContact O-N 2.87Å; D80-L82 VanDerWaalsContact C-N 3.3Å; D80-L82 PolarHBondContact O-N 3.34Å; D80-V83 WeakPolarHBondContact O-CB 3.31Å; D80-V83 PolarHBondContact O-N 2.86Å
81N98.4Very high98.1Very high47 Ų4762.7 Ų62.725%0.25133%0.328SS..Hα-helixtrans-67.6-32.6177.8-16740.3000112.1M76 T77 P78 E79 V83 A84 V85 S126M76-N81 HydrophobicContact SD-CB 4.24Å; T77-N81 PolarHBondContact O-N 3.38Å; T77-N81 VanDerWaalsContact O-N 3.07Å; P78-N81 PolarHBondContact O-N 2.86Å; E79-N81 VanDerWaalsContact C-N 3.33Å; N81-V83 PolarHBondContact O-N 3.09Å; N81-V83 VanDerWaalsContact O-N 3.16Å; N81-A84 PolarHBondContact O-N 3.29Å; N81-V85 PolarHBondContact O-N 2.8Å; N81-S126 VanDerWaalsContact OD1-CB 3.32Å; N81-S126 WeakPolarHBondContact OD1-CB 3.47Å; N81-S126 PolarHBondContact OD1-OG 2.93Å
82L98.3Very high98.2Very high87 Ų8760.8 Ų60.846%0.45532%0.319SS..Hα-helixtrans-60.4-24.4177.3-78.7176000113.1P78 E79 D80 A84 V85 Q86P78-L82 WeakPolarHBondContact O-CG 3.22Å; P78-L82 PolarHBondContact O-N 3.33Å; E79-L82 WeakPolarHBondContact O-CB 3.22Å; E79-L82 PolarHBondContact O-N 3.15Å; D80-L82 VanDerWaalsContact C-N 3.3Å; D80-L82 PolarHBondContact O-N 3.34Å; L82-A84 PolarHBondContact O-N 3.32Å; L82-V85 HydrophobicContact CD2-CB 4.24Å; L82-V85 HydrophobicContact CD2-CG1 4.38Å; L82-V85 HydrophobicContact CD2-CG2 4.44Å; L82-V85 PolarHBondContact O-N 2.88Å; L82-Q86 WeakPolarHBondContact O-CB 3.29Å; L82-Q86 WeakPolarHBondContact O-CG 3.27Å; L82-Q86 PolarHBondContact O-N 2.91Å
83V98.3Very high98.3Very high59 Ų5959 Ų5936%0.35831%0.305SS..Hα-helixtrans-57.8-49174.8178.10000111.1T67 K69 D80 N81 S87T67-V83 HydrophobicContact CG2-CG1 4.3Å; K69-V83 HydrophobicContact CB-CB 4.44Å; D80-V83 WeakPolarHBondContact O-CB 3.31Å; D80-V83 PolarHBondContact O-N 2.86Å; N81-V83 PolarHBondContact O-N 3.09Å; N81-V83 VanDerWaalsContact O-N 3.16Å; V83-S87 WeakPolarHBondContact O-CB 3.46Å; V83-S87 PolarHBondContact O-N 2.93Å
84A98.5Very high98.4Very high0 Ų054.7 Ų54.70%028%0.284CS..Hα-helixtrans-70.7-36.8178.100000111.8T67 A68 N81 L82 K88 L89 S126 M129 A130T67-A84 WeakPolarHBondContact O-CA 3.4Å; A68-A84 HydrophobicContact CB-CB 3.65Å; N81-A84 PolarHBondContact O-N 3.29Å; L82-A84 PolarHBondContact O-N 3.32Å; A84-K88 PolarHBondContact O-N 3.28Å; A84-L89 PolarHBondContact O-N 3.07Å; A84-S126 WeakPolarHBondContact CB-OG 3.39Å; A84-M129 HydrophobicContact CB-CE 4.21Å; A84-A130 HydrophobicContact CB-CB 4.23Å
85V98.7Very high98.5Very high28 Ų2845.7 Ų45.717%0.1724%0.242CC..Iπ-helixtrans-58.6-50.9175.71770000110.6N81 L82 L89 L90 M129N81-V85 PolarHBondContact O-N 2.8Å; L82-V85 HydrophobicContact CD2-CB 4.24Å; L82-V85 HydrophobicContact CD2-CG1 4.38Å; L82-V85 HydrophobicContact CD2-CG2 4.44Å; L82-V85 PolarHBondContact O-N 2.88Å; V85-L89 WeakPolarHBondContact O-CB 3.37Å; V85-L90 HydrophobicContact CG1-CD1 3.89Å; V85-L90 HydrophobicContact CG1-CG 4.15Å; V85-L90 VanDerWaalsContact O-CB 3.23Å; V85-L90 WeakPolarHBondContact O-CB 3.41Å; V85-L90 WeakPolarHBondContact O-CG 3.46Å; V85-L90 PolarHBondContact O-N 3.38Å; V85-M129 HydrophobicContact CG2-CE 3.56Å; V85-M129 HydrophobicContact CG2-SD 4.26Å
86Q98.6Very high98.5Very high84 Ų8440 Ų4039%0.39322%0.215SC..Iπ-helixtrans-73.9-41.5-175.2-65.9-60.3-17.400112.3T43 L82 G91T43-Q86 HydrophobicContact CG2-CB 4.31Å; L82-Q86 WeakPolarHBondContact O-CB 3.29Å; L82-Q86 WeakPolarHBondContact O-CG 3.27Å; L82-Q86 PolarHBondContact O-N 2.91Å; Q86-G91 PolarHBondContact O-N 3.37Å
87S98.5Very high98.5Very high16 Ų1642.5 Ų42.511%0.11223%0.229CC..Iπ-helixtrans-92.7-62.2-173.1-173.90000113.1T67 V83 G91T67-S87 PolarHBondContact N-OG 2.99Å; V83-S87 WeakPolarHBondContact O-CB 3.46Å; V83-S87 PolarHBondContact O-N 2.93Å; S87-G91 WeakPolarHBondContact O-CA 3.27Å
88K98.6Very high98.5Very high26 Ų2640.8 Ų40.811%0.11322%0.218CC..Iπ-helixtrans-79.6-28.7-171.1-164.6171.2-168.5-163.80113.4T67 A68 A84 Q92 T113 A130 N131T67-K88 WeakPolarHBondContact O-CB 3.22Å; T67-K88 PolarHBondContact O-N 2.93Å; A68-K88 HydrophobicContact CB-CD 4.21Å; A84-K88 PolarHBondContact O-N 3.28Å; K88-Q92 WeakPolarHBondContact O-CG 3.5Å; K88-Q92 PolarHBondContact O-NE2 2.79Å; K88-T113 PolarHBondContact NZ-O 2.94Å; K88-A130 HydrophobicContact CB-CB 3.88Å; K88-A130 HydrophobicContact CD-CB 4.25Å; K88-A130 HydrophobicContact CG-CB 4Å; K88-N131 WeakPolarHBondContact CE-OD1 3.41Å; K88-N131 PolarHBondContact NZ-OD1 2.94Å
89L98.9Very high98.6Very high27 Ų2736.3 Ų36.314%0.14119%0.189CC..Iπ-helixtrans-92.8-78.3177.6179.164000111.3A84 V85 G91 Q92 I93 A130 V134A84-L89 PolarHBondContact O-N 3.07Å; V85-L89 WeakPolarHBondContact O-CB 3.37Å; L89-G91 VanDerWaalsContact C-N 3.33Å; L89-G91 PolarHBondContact O-N 3.28Å; L89-Q92 PolarHBondContact O-N 2.88Å; L89-I93 HydrophobicContact CD1-CD1 3.76Å; L89-I93 HydrophobicContact CG-CD1 4.25Å; L89-I93 WeakPolarHBondContact O-CG1 3.26Å; L89-I93 PolarHBondContact O-N 2.99Å; L89-I93 VanDerWaalsContact O-N 3.1Å; L89-A130 HydrophobicContact CB-CB 3.99Å; L89-V134 HydrophobicContact CD1-CG2 3.97Å
90L98.8Very high98.5Very high61 Ų6133.7 Ų33.732%0.31918%0.176SC..Iπ-helixtrans-65.2-35-173.7-67.2-178.3000112.1V85 Q92 I93 N94V85-L90 HydrophobicContact CG1-CD1 3.89Å; V85-L90 HydrophobicContact CG1-CG 4.15Å; V85-L90 VanDerWaalsContact O-CB 3.23Å; V85-L90 WeakPolarHBondContact O-CB 3.41Å; V85-L90 WeakPolarHBondContact O-CG 3.46Å; V85-L90 PolarHBondContact O-N 3.38Å; L90-Q92 VanDerWaalsContact C-N 3.29Å; L90-Q92 PolarHBondContact O-N 2.87Å; L90-I93 PolarHBondContact O-N 3.49Å; L90-N94 WeakPolarHBondContact O-CB 3.36Å; L90-N94 PolarHBondContact O-N 2.91Å; L90-N94 PolarHBondContact O-ND2 2.76Å
91G98.8Very high98.5Very high0 Ų039 Ų390%020%0.198CC..Hα-helixtrans-58.6-39.7176.100000113.4L42 Q86 S87 L89 L95L42-G91 WeakPolarHBondContact O-CA 3.41Å; Q86-G91 PolarHBondContact O-N 3.37Å; S87-G91 WeakPolarHBondContact O-CA 3.27Å; L89-G91 VanDerWaalsContact C-N 3.33Å; L89-G91 PolarHBondContact O-N 3.28Å; G91-L95 WeakPolarHBondContact O-CB 3.47Å; G91-L95 PolarHBondContact O-N 3.48Å; G91-L95 VanDerWaalsContact O-N 3.12Å
92Q98.8Very high98.5Very high1 Ų139 Ų391%0.00520%0.195CC..Hα-helixtrans-74.9-38.9175.8-61.7-160.980.800112.8N63 K88 L89 L90 L95 T96 L111 T112 V134N63-Q92 VanDerWaalsContact ND2-CG 3.26Å; N63-Q92 WeakPolarHBondContact ND2-CG 3.44Å; N63-Q92 PolarHBondContact ND2-OE1 3.34Å; K88-Q92 WeakPolarHBondContact O-CG 3.5Å; K88-Q92 PolarHBondContact O-NE2 2.79Å; L89-Q92 PolarHBondContact O-N 2.88Å; L90-Q92 VanDerWaalsContact C-N 3.29Å; L90-Q92 PolarHBondContact O-N 2.87Å; Q92-L95 WeakPolarHBondContact O-CB 3.42Å; Q92-L95 PolarHBondContact O-N 2.72Å; Q92-T96 PolarHBondContact O-N 2.98Å; Q92-T96 PolarHBondContact O-OG1 3.31Å; Q92-L111 HydrophobicContact CB-CD1 4.31Å; Q92-L111 HydrophobicContact CB-CD2 4.39Å; Q92-T112 PolarHBondContact NE2-O 3.23Å; Q92-T112 PolarHBondContact OE1-O 3.33Å; Q92-V134 HydrophobicContact CB-CG2 4.31Å
93I98.9Very high98.5Very high23 Ų2335.6 Ų35.612%0.11818%0.177CC..Hα-helixtrans-65.2-46.9177-69.5175.3000110.1L89 L90 L95 T96 L97 F137L89-I93 HydrophobicContact CD1-CD1 3.76Å; L89-I93 HydrophobicContact CG-CD1 4.25Å; L89-I93 WeakPolarHBondContact O-CG1 3.26Å; L89-I93 PolarHBondContact O-N 2.99Å; L89-I93 VanDerWaalsContact O-N 3.1Å; L90-I93 PolarHBondContact O-N 3.49Å; I93-L95 VanDerWaalsContact C-N 3.29Å; I93-L95 PolarHBondContact O-N 2.98Å; I93-T96 WeakPolarHBondContact O-CA 3.49Å; I93-T96 VanDerWaalsContact O-CB 3.24Å; I93-T96 WeakPolarHBondContact O-CB 3.16Å; I93-T96 PolarHBondContact O-N 3.45Å; I93-L97 HydrophobicContact CG2-CD1 3.91Å; I93-L97 HydrophobicContact CG2-CG 4.16Å; I93-L97 WeakPolarHBondContact O-CG 3.4Å; I93-L97 PolarHBondContact O-N 3.11Å; I93-F137 HydrophobicContact CD1-CB 4.15Å; I93-F137 HydrophobicContact CD1-CD2 4.38Å; I93-F137 HydrophobicContact CD1-CG 4.1Å; I93-F137 HydrophobicContact CG1-CB 4.33Å; I93-F137 HydrophobicContact CG1-CD1 3.85Å; I93-F137 HydrophobicContact CG1-CD2 4.31Å; I93-F137 HydrophobicContact CG1-CE1 4.22Å; I93-F137 HydrophobicContact CG1-CG 3.89Å; I93-F137 HydrophobicContact CG2-CD2 4.16Å; I93-F137 HydrophobicContact CG2-CE1 4.33Å; I93-F137 HydrophobicContact CG2-CE2 3.85Å; I93-F137 HydrophobicContact CG2-CZ 3.94Å
94N98.9Very high98.4Very high35 Ų3537.6 Ų37.619%0.18718%0.178CC..Hα-helixtrans-63.2-36.4178.1-69.8-22.1000111.7I48 L90 T96 L97 I98I48-N94 HydrophobicContact CD1-CB 3.91Å; L90-N94 WeakPolarHBondContact O-CB 3.36Å; L90-N94 PolarHBondContact O-N 2.91Å; L90-N94 PolarHBondContact O-ND2 2.76Å; N94-T96 PolarHBondContact O-N 2.98Å; N94-L97 PolarHBondContact O-N 2.93Å; N94-I98 HydrophobicContact CB-CD1 4.38Å; N94-I98 WeakPolarHBondContact O-CB 2.71Å; N94-I98 WeakPolarHBondContact O-CD1 3.4Å; N94-I98 VanDerWaalsContact O-CG1 3.31Å; N94-I98 WeakPolarHBondContact O-CG1 3.4Å; N94-I98 PolarHBondContact O-N 3.01Å
95L98.7Very high98.4Very high0 Ų045 Ų450%021%0.206CC..Hα-helixtrans-56.5-39.9170.7-172.775.1000111.6I8 L42 I48 M51 F52 I61 N63 G91 Q92 I93 G99I8-L95 HydrophobicContact CD1-CD1 4.14Å; I8-L95 HydrophobicContact CD1-CD2 3.83Å; I8-L95 HydrophobicContact CG1-CD1 4.13Å; I8-L95 HydrophobicContact CG1-CD2 4.06Å; L42-L95 HydrophobicContact CD2-CB 4.47Å; L42-L95 HydrophobicContact CD2-CD1 4.19Å; I48-L95 HydrophobicContact CG2-CD1 4.09Å; M51-L95 HydrophobicContact CE-CD1 4.01Å; F52-L95 HydrophobicContact CE2-CD1 3.69Å; F52-L95 HydrophobicContact CE2-CG 4.5Å; F52-L95 HydrophobicContact CZ-CD1 3.73Å; F52-L95 HydrophobicContact CZ-CG 4.39Å; I61-L95 HydrophobicContact CG2-CD2 3.86Å; I61-L95 HydrophobicContact CG2-CG 4.05Å; N63-L95 HydrophobicContact CB-CD2 3.6Å; G91-L95 WeakPolarHBondContact O-CB 3.47Å; G91-L95 PolarHBondContact O-N 3.48Å; G91-L95 VanDerWaalsContact O-N 3.12Å; Q92-L95 WeakPolarHBondContact O-CB 3.42Å; Q92-L95 PolarHBondContact O-N 2.72Å; I93-L95 VanDerWaalsContact C-N 3.29Å; I93-L95 PolarHBondContact O-N 2.98Å; L95-G99 VanDerWaalsContact O-CA 3.24Å; L95-G99 WeakPolarHBondContact O-CA 3.4Å; L95-G99 PolarHBondContact O-N 3.3Å
96T98.7Very high98.3Very high2 Ų248.5 Ų48.51%0.01222%0.224CC..Hα-helixtrans-68.3-52.4174.3-60.90000111.7Q92 I93 N94 I98 G99 Q100 I109 F137 F145 I151Q92-T96 PolarHBondContact O-N 2.98Å; Q92-T96 PolarHBondContact O-OG1 3.31Å; I93-T96 WeakPolarHBondContact O-CA 3.49Å; I93-T96 VanDerWaalsContact O-CB 3.24Å; I93-T96 WeakPolarHBondContact O-CB 3.16Å; I93-T96 PolarHBondContact O-N 3.45Å; N94-T96 PolarHBondContact O-N 2.98Å; T96-I98 VanDerWaalsContact C-N 3.26Å; T96-I98 PolarHBondContact O-N 2.91Å; T96-G99 PolarHBondContact O-N 2.93Å; T96-Q100 VanDerWaalsContact O-CB 3.29Å; T96-Q100 WeakPolarHBondContact O-CB 3.24Å; T96-Q100 VanDerWaalsContact O-CG 3.22Å; T96-Q100 WeakPolarHBondContact O-CG 3.3Å; T96-Q100 PolarHBondContact O-N 2.88Å; T96-I109 HydrophobicContact CG2-CD1 3.75Å; T96-F137 HydrophobicContact CG2-CE1 3.73Å; T96-F137 HydrophobicContact CG2-CZ 3.74Å; T96-F145 HydrophobicContact CG2-CZ 4.22Å; T96-I151 HydrophobicContact CG2-CD1 3.67Å
97L98.6Very high98.2Very high90 Ų9044.7 Ų44.747%0.47121%0.207SC..Hα-helixtrans-59.6-37.2-175-65177.5000112.6I93 N94 F137I93-L97 HydrophobicContact CG2-CD1 3.91Å; I93-L97 HydrophobicContact CG2-CG 4.16Å; I93-L97 WeakPolarHBondContact O-CG 3.4Å; I93-L97 PolarHBondContact O-N 3.11Å; N94-L97 PolarHBondContact O-N 2.93Å; L97-F137 HydrophobicContact CD2-CE2 4.41Å; L97-F137 HydrophobicContact CD2-CZ 4.33Å
98I98.7Very high98.2Very high19 Ų1944 Ų4410%0.09720%0.202CC..Hα-helixtrans-85.5-50.9178.8-60.5160.7000110.1V45 I48 E49 F52 N94 T96 Q100 K101V45-I98 HydrophobicContact CB-CD1 4.49Å; V45-I98 HydrophobicContact CG1-CD1 3.91Å; I48-I98 HydrophobicContact CB-CD1 3.81Å; I48-I98 HydrophobicContact CD1-CD1 4.38Å; I48-I98 HydrophobicContact CG2-CB 4.03Å; I48-I98 HydrophobicContact CG2-CD1 3.63Å; I48-I98 HydrophobicContact CG2-CG1 4.45Å; I48-I98 HydrophobicContact CG2-CG2 4.08Å; E49-I98 HydrophobicContact CG-CD1 4.16Å; E49-I98 HydrophobicContact CG-CG1 4.41Å; E49-I98 HydrophobicContact CG-CG2 3.83Å; F52-I98 HydrophobicContact CD2-CG2 3.87Å; F52-I98 HydrophobicContact CE2-CG2 4.45Å; N94-I98 HydrophobicContact CB-CD1 4.38Å; N94-I98 WeakPolarHBondContact O-CB 2.71Å; N94-I98 WeakPolarHBondContact O-CD1 3.4Å; N94-I98 VanDerWaalsContact O-CG1 3.31Å; N94-I98 WeakPolarHBondContact O-CG1 3.4Å; N94-I98 PolarHBondContact O-N 3.01Å; T96-I98 VanDerWaalsContact C-N 3.26Å; T96-I98 PolarHBondContact O-N 2.91Å; I98-Q100 VanDerWaalsContact C-N 3.31Å; I98-Q100 PolarHBondContact O-N 3.42Å; I98-K101 PolarHBondContact O-N 3.31Å
99G98.5Very high98.3Very high0 Ų042.8 Ų42.80%020%0.197CC..Hα-helixtrans-66.9-27.3-171.700000114.4I61 L95 T96 K101 Y102 L103I61-G99 WeakPolarHBondContact CD1-O 3.39Å; L95-G99 VanDerWaalsContact O-CA 3.24Å; L95-G99 WeakPolarHBondContact O-CA 3.4Å; L95-G99 PolarHBondContact O-N 3.3Å; T96-G99 PolarHBondContact O-N 2.93Å; G99-K101 PolarHBondContact O-N 3.38Å; G99-K101 VanDerWaalsContact O-N 3.09Å; G99-Y102 CarbonylContact O-C 3.59Å; G99-Y102 WeakPolarHBondContact O-CA 3.46Å; G99-Y102 PolarHBondContact O-N 2.9Å; G99-L103 PolarHBondContact O-N 3.45Å
100Q97.8Very high98.3Very high72 Ų7241.5 Ų41.534%0.33619%0.19SC..G310 helixtrans-58.8-25.4177.366.9105.5-20.200113.5T96 I98 Y102 L103 I109 F145T96-Q100 VanDerWaalsContact O-CB 3.29Å; T96-Q100 WeakPolarHBondContact O-CB 3.24Å; T96-Q100 VanDerWaalsContact O-CG 3.22Å; T96-Q100 WeakPolarHBondContact O-CG 3.3Å; T96-Q100 PolarHBondContact O-N 2.88Å; I98-Q100 VanDerWaalsContact C-N 3.31Å; I98-Q100 PolarHBondContact O-N 3.42Å; Q100-Y102 PolarHBondContact O-N 3.29Å; Q100-L103 PolarHBondContact O-N 3.27Å; Q100-I109 HydrophobicContact CB-CD1 4.28Å; Q100-F145 HydrophobicContact CB-CE1 3.75Å; Q100-F145 HydrophobicContact CB-CZ 4.26Å; Q100-F145 HydrophobicContact CG-CE1 4.2Å
101K97.6Very high98.3Very high143 Ų14338.6 Ų38.662%0.62218%0.175SC*.G310 helixtrans-72.8-15.6174.9-58.4177.4-175.11750113.5I98 G99I98-K101 PolarHBondContact O-N 3.31Å; G99-K101 PolarHBondContact O-N 3.38Å; G99-K101 VanDerWaalsContact O-N 3.09Å
102Y98.1Very high98.3Very high47 Ų4739.2 Ų39.218%0.18418%0.178CC..G310 helixtrans-109.16.6179.8-63.3-95.6000111.9F52 K53 Y57 V58 G99 Q100F52-Y102 HydrophobicContact CB-CD1 3.96Å; F52-Y102 HydrophobicContact CB-CD2 3.52Å; F52-Y102 HydrophobicContact CB-CE1 3.97Å; F52-Y102 HydrophobicContact CB-CE2 3.53Å; F52-Y102 HydrophobicContact CB-CG 3.74Å; F52-Y102 HydrophobicContact CD1-CD2 4.26Å; F52-Y102 HydrophobicContact CD1-CG 4.14Å; F52-Y102 HydrophobicContact CD2-CD2 4.46Å; F52-Y102 AromaticContact CG-CD2 3.87Å; F52-Y102 HydrophobicContact CG-CD2 3.87Å; F52-Y102 HydrophobicContact CG-CE2 4.27Å; F52-Y102 HydrophobicContact CG-CG 4.13Å; F52-Y102 WeakPolarHBondContact O-CE1 3.15Å; K53-Y102 WeakPolarHBondContact CG-OH 3.1Å; Y57-Y102 VanDerWaalsContact CA-O 3.26Å; Y57-Y102 WeakPolarHBondContact CA-O 3.49Å; V58-Y102 PolarHBondContact N-O 3.32Å; G99-Y102 CarbonylContact O-C 3.59Å; G99-Y102 WeakPolarHBondContact O-CA 3.46Å; G99-Y102 PolarHBondContact O-N 2.9Å; Q100-Y102 PolarHBondContact O-N 3.29Å
103L97.8Very high98.3Very high14 Ų1439.2 Ų39.27%0.07318%0.179CC..EExtended strand (participates in β ladder)trans-83.5137.1171-82.1172.4000110.9V58 I61 G99 Q100 I109 I149V58-L103 HydrophobicContact CG2-CD2 4.15Å; V58-L103 WeakPolarHBondContact O-CA 3.23Å; I61-L103 HydrophobicContact CD1-CD1 4.07Å; I61-L103 HydrophobicContact CD1-CD2 4.12Å; I61-L103 HydrophobicContact CD1-CG 3.79Å; I61-L103 HydrophobicContact CG1-CD2 4.02Å; I61-L103 HydrophobicContact CG1-CG 4.26Å; G99-L103 PolarHBondContact O-N 3.45Å; Q100-L103 PolarHBondContact O-N 3.27Å; L103-I109 HydrophobicContact CD1-CD1 3.75Å; L103-I109 HydrophobicContact CD1-CG1 3.43Å; L103-I109 VanDerWaalsContact CD1-CG1 3.43Å; L103-I149 HydrophobicContact CB-CD1 3.97Å; L103-I149 HydrophobicContact CB-CG1 4.33Å; L103-I149 HydrophobicContact CD1-CD1 4.23Å; L103-I149 HydrophobicContact CD1-CG1 4.35Å; L103-I149 HydrophobicContact CD1-CG2 3.84Å
104R97.1Very high98.3Very high101 Ų10138.4 Ų38.438%0.38118%0.176SC..EExtended strand (participates in β ladder)trans-67.6160.9163.9-60-162.7-170.483.34.6110Y57 V58 D59 G107Y57-R104 PolarHBondContact O-NH2 3.25Å; V58-R104 PolarHBondContact O-N 2.98Å; D59-R104 VanDerWaalsContact OD1-CD 3.28Å; D59-R104 WeakPolarHBondContact OD1-CD 3.48Å; D59-R104 IonicContact OD1-CZ 2.76Å; D59-R104 IonicContact OD1-NE 2.79Å; D59-R104 IonicContact OD1-NH1 2.98Å; D59-R104 PolarHBondContact OD1-NH1 3.14Å; D59-R104 IonicContact OD2-NH1 2.61Å; D59-R104 PolarHBondContact OD2-NH1 3.46Å; R104-G107 PolarHBondContact O-N 2.64Å
105R96.5Very high98.2Very high156 Ų15637.2 Ų37.259%0.58917%0.169SC*.EExtended strand (participates in β ladder)trans-53.1141.7173.9-167179.9176.787.40.5110G107 Q147R105-G107 PolarHBondContact O-N 3.31Å; R105-G107 VanDerWaalsContact O-N 3.16Å; R105-Q147 VanDerWaalsContact CG-O 3.27Å; R105-Q147 WeakPolarHBondContact CG-O 3.42Å
106D97Very high98.2Very high102 Ų10238 Ų3855%0.54517%0.173SC..EExtended strand (participates in β ladder)trans62.911.7-176.1-51.7-54.2000115.1Q147D106-Q147 PolarHBondContact N-O 2.87Å
107G97.9Very high98.2Very high3 Ų340 Ų403%0.03118%0.182CC..EExtended strand (participates in β ladder)trans-67.8173.2177.400000114D59 R104 R105 I149 R150D59-G107 CarbonylContact O-C 3.59Å; D59-G107 WeakPolarHBondContact O-CA 3.32Å; R104-G107 PolarHBondContact O-N 2.64Å; R105-G107 PolarHBondContact O-N 3.31Å; R105-G107 VanDerWaalsContact O-N 3.16Å; G107-I149 VanDerWaalsContact O-CA 3.3Å; G107-I149 WeakPolarHBondContact O-CA 3.39Å; G107-R150 PolarHBondContact O-N 3.12Å
108S98.7Very high98.2Very high2 Ų239.5 Ų39.51%0.01418%0.179CC..EExtended strand (participates in β ladder)trans-133.8151.1-175.2670000114.8D59 A60 I61 R150D59-S108 PolarHBondContact O-N 2.81Å; A60-S108 CarbonylContact C-O 3.54Å; A60-S108 VanDerWaalsContact CA-O 3.29Å; A60-S108 WeakPolarHBondContact CA-O 3.36Å; A60-S108 WeakPolarHBondContact CB-OG 3.24Å; I61-S108 PolarHBondContact N-O 3.48Å; S108-R150 CarbonylContact C-O 3.48Å; S108-R150 VanDerWaalsContact CA-O 3.29Å; S108-R150 WeakPolarHBondContact CA-O 3.35Å
109I98.9Very high98.2Very high0 Ų042.2 Ų42.20%019%0.194CC..EExtended strand (participates in β ladder)trans-121.6129.5171.5-56176.8000108.3I61 T96 Q100 L103 L111 F145 R150 I151 N152I61-I109 HydrophobicContact CB-CG1 4.4Å; I61-I109 HydrophobicContact CD1-CG1 4.46Å; I61-I109 CarbonylContact O-C 3.3Å; I61-I109 VanDerWaalsContact O-CA 3.31Å; I61-I109 WeakPolarHBondContact O-CA 3.39Å; T96-I109 HydrophobicContact CG2-CD1 3.75Å; Q100-I109 HydrophobicContact CB-CD1 4.28Å; L103-I109 HydrophobicContact CD1-CD1 3.75Å; L103-I109 HydrophobicContact CD1-CG1 3.43Å; L103-I109 VanDerWaalsContact CD1-CG1 3.43Å; I109-L111 HydrophobicContact CG2-CD2 3.78Å; I109-L111 HydrophobicContact CG2-CG 4.15Å; I109-F145 HydrophobicContact CD1-CZ 4.23Å; I109-R150 PolarHBondContact N-O 3.47Å; I109-I151 HydrophobicContact CB-CB 4.22Å; I109-I151 HydrophobicContact CB-CD1 4.23Å; I109-I151 HydrophobicContact CB-CG1 3.93Å; I109-I151 HydrophobicContact CG2-CD1 4.07Å; I109-I151 HydrophobicContact CG2-CG1 4.1Å; I109-I151 CarbonylContact O-C 3.59Å; I109-I151 VanDerWaalsContact O-CA 3.32Å; I109-I151 WeakPolarHBondContact O-CA 3.43Å; I109-N152 PolarHBondContact O-N 3.21Å
110T99Very high98.2Very high0 Ų047 Ų470%023%0.225CC..EExtended strand (participates in β ladder)trans-127.9114.8174.8-47.80000110.6I61 N63 N152 V154 F185 S188I61-T110 PolarHBondContact O-N 2.72Å; N63-T110 PolarHBondContact N-O 2.79Å; T110-N152 WeakPolarHBondContact CA-O 3.41Å; T110-V154 HydrophobicContact CG2-CG2 3.94Å; T110-F185 HydrophobicContact CG2-CD1 3.44Å; T110-F185 VanDerWaalsContact CG2-CD1 3.44Å; T110-F185 HydrophobicContact CG2-CE1 3.8Å; T110-F185 HydrophobicContact CG2-CG 4.32Å; T110-S188 WeakPolarHBondContact CG2-OG 3.42Å; T110-S188 WeakPolarHBondContact OG1-CB 3.47Å; T110-S188 PolarHBondContact OG1-OG 3.28Å
111L98.9Very high98.2Very high0 Ų044.2 Ų44.20%021%0.212CC..EExtended strand (participates in β ladder)trans-100.7168.5179.9-53.4-175.7000111.6N63 Q92 I109 V134 V138 I151 N152 C153 V154N63-L111 HydrophobicContact CB-CD2 4.24Å; Q92-L111 HydrophobicContact CB-CD1 4.31Å; Q92-L111 HydrophobicContact CB-CD2 4.39Å; I109-L111 HydrophobicContact CG2-CD2 3.78Å; I109-L111 HydrophobicContact CG2-CG 4.15Å; L111-V134 HydrophobicContact CB-CG1 3.98Å; L111-V134 HydrophobicContact CD1-CG1 3.87Å; L111-V138 HydrophobicContact CD1-CG2 3.83Å; L111-V138 HydrophobicContact CG-CG2 4.4Å; L111-I151 HydrophobicContact CD1-CD1 4.39Å; L111-N152 PolarHBondContact N-O 3.09Å; L111-C153 HydrophobicContact CB-CB 4.29Å; L111-C153 CarbonylContact O-C 3.52Å; L111-C153 VanDerWaalsContact O-CA 3.22Å; L111-C153 WeakPolarHBondContact O-CA 3.46Å; L111-V154 PolarHBondContact O-N 2.81Å
112T98.9Very high98.1Very high13 Ų1342.9 Ų42.98%0.0822%0.218CC..EExtended strand (participates in β ladder)trans-114127.2177.4-580000111.2N63 A64 Q92 P156 F185N63-T112 PolarHBondContact O-N 3.44Å; N63-T112 PolarHBondContact O-OG1 2.85Å; A64-T112 WeakPolarHBondContact CA-OG1 3.49Å; Q92-T112 PolarHBondContact NE2-O 3.23Å; Q92-T112 PolarHBondContact OE1-O 3.33Å; T112-P156 HydrophobicContact CG2-CG 4.25Å; T112-F185 WeakPolarHBondContact OG1-CZ 3.4Å
113T98.8Very high98Very high2 Ų241.2 Ų41.21%0.01222%0.216CC..  trans-106-116.6170.6560000109.9K88 N131 V134 A135 C153 V154 S155 E197K88-T113 PolarHBondContact NZ-O 2.94Å; T113-N131 VanDerWaalsContact C-CG 3.49Å; T113-N131 WeakPolarHBondContact CG2-O 3.17Å; T113-N131 PolarHBondContact O-OD1 3.24Å; T113-V134 HydrophobicContact CG2-CB 3.94Å; T113-V134 HydrophobicContact CG2-CG1 3.73Å; T113-A135 HydrophobicContact CG2-CB 4.17Å; T113-C153 HydrophobicContact CG2-CB 3.97Å; T113-V154 PolarHBondContact N-O 3.4Å; T113-V154 PolarHBondContact OG1-O 2.96Å; T113-S155 WeakPolarHBondContact OG1-CA 3.36Å; T113-S155 VanDerWaalsContact OG1-CB 3.23Å; T113-S155 WeakPolarHBondContact OG1-CB 3.48Å; T113-S155 PolarHBondContact OG1-OG 3.39Å; T113-S155 VanDerWaalsContact OG1-OG 3.11Å; T113-E197 PolarHBondContact OG1-OE1 3.28Å
114G98.5Very high98Very high5 Ų540.7 Ų40.75%0.05221%0.214CC..  trans147156.2175.700000113.4M116 N131 S155 P156G114-M116 PolarHBondContact O-N 2.89Å; G114-N131 VanDerWaalsContact C-ND2 3.34Å; G114-N131 WeakPolarHBondContact CA-ND2 3.43Å; G114-N131 PolarHBondContact N-ND2 3.1Å; G114-N131 PolarHBondContact O-ND2 2.95Å; G114-S155 PolarHBondContact N-OG 2.92Å; G114-P156 WeakPolarHBondContact CA-O 3.41Å
115I98.6Very high98.1Very high10 Ų1038.1 Ų38.15%0.05121%0.214CC..G310 helixtrans-54.8-30.1-170.7-163168.1000114.8K117 D118 D119 P156 N157 F170 F173 Y201I115-K117 PolarHBondContact O-N 3.33Å; I115-D118 PolarHBondContact O-N 2.96Å; I115-D119 HydrophobicContact CD1-CB 4.26Å; I115-D119 HydrophobicContact CG1-CB 3.9Å; I115-D119 PolarHBondContact O-N 3.45Å; I115-P156 PolarHBondContact N-O 3.33Å; I115-N157 HydrophobicContact CD1-CB 4.26Å; I115-N157 VanDerWaalsContact CD1-CG 3.49Å; I115-N157 WeakPolarHBondContact CD1-OD1 3.41Å; I115-F170 HydrophobicContact CG2-CE1 4.11Å; I115-F173 HydrophobicContact CD1-CD1 4.1Å; I115-F173 HydrophobicContact CD1-CE1 3.85Å; I115-F173 HydrophobicContact CG1-CE1 4.42Å; I115-F173 HydrophobicContact CG2-CE1 4.32Å; I115-Y201 HydrophobicContact CB-CD1 3.93Å; I115-Y201 HydrophobicContact CB-CE1 3.62Å; I115-Y201 HydrophobicContact CD1-CD1 3.65Å; I115-Y201 HydrophobicContact CD1-CD2 4.2Å; I115-Y201 HydrophobicContact CD1-CE1 4.13Å; I115-Y201 HydrophobicContact CD1-CG 3.73Å; I115-Y201 HydrophobicContact CG1-CD1 3.71Å; I115-Y201 HydrophobicContact CG1-CD2 4.27Å; I115-Y201 HydrophobicContact CG1-CE1 3.63Å; I115-Y201 HydrophobicContact CG1-CE2 4.19Å; I115-Y201 HydrophobicContact CG1-CG 4.08Å
116M98.3Very high98.2Very high16 Ų1630.8 Ų30.88%0.07919%0.186CC..G310 helixtrans-58.2-16.6-173.3-69.9179.8-78.600116F70 G114 D119 I121 A127 A128 F170F70-M116 HydrophobicContact CE2-CE 4.17Å; F70-M116 HydrophobicContact CE2-SD 3.58Å; F70-M116 VanDerWaalsContact CE2-SD 3.58Å; F70-M116 HydrophobicContact CZ-CE 3.66Å; F70-M116 HydrophobicContact CZ-SD 3.72Å; G114-M116 PolarHBondContact O-N 2.89Å; M116-D119 WeakPolarHBondContact CA-O 3.26Å; M116-I121 HydrophobicContact CG-CD1 4.41Å; M116-I121 HydrophobicContact CG-CG1 4.06Å; M116-I121 HydrophobicContact SD-CD1 3.9Å; M116-I121 HydrophobicContact SD-CG1 3.93Å; M116-A127 HydrophobicContact CE-CB 3.51Å; M116-A127 HydrophobicContact SD-CB 3.99Å; M116-A128 HydrophobicContact CB-CB 4.39Å; M116-A128 VanDerWaalsContact O-CB 3.24Å; M116-A128 WeakPolarHBondContact O-CB 3.49Å; M116-F170 HydrophobicContact CG-CE1 4.22Å; M116-F170 HydrophobicContact CG-CZ 4.04Å; M116-F170 HydrophobicContact SD-CZ 4.04Å
117K98.6Very high98.3Very high46 Ų4625.9 Ų25.920%0.216%0.16CC..G310 helixtrans-78.8-22.6172.362160.2-177.467.70113.7I115 N131 A135 E197I115-K117 PolarHBondContact O-N 3.33Å; K117-N131 HydrophobicContact CB-CB 3.92Å; K117-N131 HydrophobicContact CD-CB 4.13Å; K117-N131 HydrophobicContact CG-CB 3.95Å; K117-A135 HydrophobicContact CD-CB 4.35Å; K117-E197 WeakPolarHBondContact CE-OE1 3.32Å; K117-E197 WeakPolarHBondContact CE-OE2 3.43Å; K117-E197 IonicContact NZ-OE1 2.8Å; K117-E197 PolarHBondContact NZ-OE1 3.33Å; K117-E197 IonicContact NZ-OE2 3.63Å; K117-E197 PolarHBondContact NZ-OE2 3.09Å
118D98.6Very high98.3Very high78 Ų7826.7 Ų26.742%0.41717%0.167SC..THydrogen-bonded Turntrans-107.7-35.5-177.8-61.2-22.5000111.1I115 Q199 Y201I115-D118 PolarHBondContact O-N 2.96Å; D118-Q199 PolarHBondContact OD2-NE2 2.69Å; D118-Y201 HydrophobicContact CB-CE2 4.45Å; D118-Y201 PolarHBondContact OD2-OH 3.44Å
119D98.5Very high98.3Very high77 Ų7729.9 Ų29.941%0.41218%0.182SC..SBendtrans-128.389.3176.1-160.7-13.4000109.9I115 M116 F173I115-D119 HydrophobicContact CD1-CB 4.26Å; I115-D119 HydrophobicContact CG1-CB 3.9Å; I115-D119 PolarHBondContact O-N 3.45Å; M116-D119 WeakPolarHBondContact CA-O 3.26Å; D119-F173 HydrophobicContact CB-CE1 3.97Å; D119-F173 HydrophobicContact CB-CZ 4.06Å; D119-F173 VanDerWaalsContact CG-CZ 3.45Å
120P98.1Very high98.3Very high99 Ų9929.9 Ų29.964%0.64318%0.182SC*.  trans-75150.3-169.930.4-35.4000113
121I97.3Very high98.3Very high15 Ų1529.9 Ų29.98%0.07718%0.182CC..  trans-121.4157.9174.860162.4000111.5F70 M116 G123 G124 S169 F170 F173F70-I121 HydrophobicContact CD2-CD1 4.31Å; F70-I121 HydrophobicContact CE2-CD1 3.85Å; M116-I121 HydrophobicContact CG-CD1 4.41Å; M116-I121 HydrophobicContact CG-CG1 4.06Å; M116-I121 HydrophobicContact SD-CD1 3.9Å; M116-I121 HydrophobicContact SD-CG1 3.93Å; I121-G123 PolarHBondContact O-N 3.3Å; I121-G124 PolarHBondContact O-N 3.22Å; I121-S169 WeakPolarHBondContact CB-O 3.43Å; I121-S169 WeakPolarHBondContact CG2-O 3.24Å; I121-F170 HydrophobicContact CD1-CD1 4.48Å; I121-F170 HydrophobicContact CD1-CD2 3.92Å; I121-F170 HydrophobicContact CD1-CE1 4.01Å; I121-F170 HydrophobicContact CD1-CE2 3.39Å; I121-F170 HydrophobicContact CD1-CG 4.45Å; I121-F170 HydrophobicContact CD1-CZ 3.44Å; I121-F170 VanDerWaalsContact CD1-CZ 3.44Å; I121-F170 HydrophobicContact CG1-CZ 4.35Å; I121-F170 HydrophobicContact CG2-CD1 3.99Å; I121-F170 HydrophobicContact CG2-CE1 4.04Å; I121-F170 HydrophobicContact CG2-CG 4.47Å; I121-F173 HydrophobicContact CG2-CE2 3.81Å; I121-F173 HydrophobicContact CG2-CZ 3.82Å
122P96.1Very high98.3Very high114 Ų11431.3 Ų31.374%0.7420%0.197SC*.THydrogen-bonded Turntrans-51.6129.9171.8-27.436000112.2G124P122-G124 PolarHBondContact O-N 2.9Å
123G96.9Very high98.3Very high13 Ų1332 Ų3213%0.13421%0.207CC..THydrogen-bonded Turntrans72.62-177.900000116.5F70 Q71 I121 A125F70-G123 WeakPolarHBondContact CA-O 3.37Å; Q71-G123 VanDerWaalsContact C-CA 3.44Å; Q71-G123 PolarHBondContact N-O 3.09Å; Q71-G123 VanDerWaalsContact N-O 3.08Å; Q71-G123 WeakPolarHBondContact O-CA 3.4Å; I121-G123 PolarHBondContact O-N 3.3Å; G123-A125 PolarHBondContact O-N 3.31Å
124G97.8Very high98.3Very high3 Ų332 Ų323%0.03121%0.206CC..  trans-83.6-1-177.600000115.8I121 P122 S126 A127 A128I121-G124 PolarHBondContact O-N 3.22Å; P122-G124 PolarHBondContact O-N 2.9Å; G124-S126 PolarHBondContact O-N 3.03Å; G124-A127 PolarHBondContact O-N 2.87Å; G124-A127 VanDerWaalsContact O-N 3.1Å; G124-A128 PolarHBondContact O-N 3.2Å
125A98.3Very high98.3Very high47 Ų4732.4 Ų32.439%0.38821%0.21SC..Hα-helixtrans-58-41.9-168.400000113.9I73 M76 G123 A128 M129I73-A125 HydrophobicContact CD1-CB 4.02Å; M76-A125 HydrophobicContact CE-CB 4.46Å; G123-A125 PolarHBondContact O-N 3.31Å; A125-A128 WeakPolarHBondContact O-CB 3.24Å; A125-A128 PolarHBondContact O-N 2.96Å; A125-M129 PolarHBondContact O-N 2.85Å
126S98.5Very high98.3Very high1 Ų135.1 Ų35.11%0.00723%0.233CC..Hα-helixtrans-66-39.3178.1-169.60000112.2N81 A84 G124 A130N81-S126 VanDerWaalsContact OD1-CB 3.32Å; N81-S126 WeakPolarHBondContact OD1-CB 3.47Å; N81-S126 PolarHBondContact OD1-OG 2.93Å; A84-S126 WeakPolarHBondContact CB-OG 3.39Å; G124-S126 PolarHBondContact O-N 3.03Å; S126-A130 PolarHBondContact O-N 3.1Å
127A98.4Very high98.4Very high0 Ų036.5 Ų36.50%024%0.239CC..Hα-helixtrans-68.2-39.5174.400000112A68 F70 M116 G124 A130 N131A68-A127 HydrophobicContact CB-CB 3.75Å; F70-A127 HydrophobicContact CE1-CB 4.47Å; F70-A127 HydrophobicContact CZ-CB 4.42Å; M116-A127 HydrophobicContact CE-CB 3.51Å; M116-A127 HydrophobicContact SD-CB 3.99Å; G124-A127 PolarHBondContact O-N 2.87Å; G124-A127 VanDerWaalsContact O-N 3.1Å; A127-A130 PolarHBondContact O-N 3.14Å; A127-N131 WeakPolarHBondContact O-CB 3.36Å; A127-N131 PolarHBondContact O-N 3.26Å; A127-N131 PolarHBondContact O-OD1 2.76Å
128A98.7Very high98.4Very high20 Ų2034.4 Ų34.417%0.16523%0.23CC..Hα-helixtrans-61.5-45.1175.800000111.8M116 G124 A125 A130 N131 G132M116-A128 HydrophobicContact CB-CB 4.39Å; M116-A128 VanDerWaalsContact O-CB 3.24Å; M116-A128 WeakPolarHBondContact O-CB 3.49Å; G124-A128 PolarHBondContact O-N 3.2Å; A125-A128 WeakPolarHBondContact O-CB 3.24Å; A125-A128 PolarHBondContact O-N 2.96Å; A128-A130 PolarHBondContact O-N 3.21Å; A128-N131 PolarHBondContact O-N 2.82Å; A128-G132 PolarHBondContact O-N 2.85Å
129M98.7Very high98.4Very high69 Ų6938 Ų3834%0.3424%0.242SC..Hα-helixtrans-55.3-51.4173.5172.4-154.767.200111.2A84 V85 A125 N131 G132 G133A84-M129 HydrophobicContact CB-CE 4.21Å; V85-M129 HydrophobicContact CG2-CE 3.56Å; V85-M129 HydrophobicContact CG2-SD 4.26Å; A125-M129 PolarHBondContact O-N 2.85Å; M129-N131 VanDerWaalsContact C-N 3.34Å; M129-N131 PolarHBondContact O-N 2.89Å; M129-G132 PolarHBondContact O-N 2.81Å; M129-G133 PolarHBondContact O-N 2.89Å
130A98.8Very high98.4Very high0 Ų037.9 Ų37.90%025%0.247CC..Hα-helixtrans-61-43.3179.500000111.9A84 K88 L89 S126 A127 A128 G133 V134A84-A130 HydrophobicContact CB-CB 4.23Å; K88-A130 HydrophobicContact CB-CB 3.88Å; K88-A130 HydrophobicContact CD-CB 4.25Å; K88-A130 HydrophobicContact CG-CB 4Å; L89-A130 HydrophobicContact CB-CB 3.99Å; S126-A130 PolarHBondContact O-N 3.1Å; A127-A130 PolarHBondContact O-N 3.14Å; A128-A130 PolarHBondContact O-N 3.21Å; A130-G133 PolarHBondContact O-N 3.35Å; A130-V134 WeakPolarHBondContact O-CG2 3.39Å; A130-V134 PolarHBondContact O-N 3.47Å
131N98.8Very high98.4Very high0 Ų033.8 Ų33.80%022%0.222CC..Hα-helixtrans-61.3-46.2177.8-68.2-5000111.8K88 T113 G114 K117 A127 A128 M129 V134 A135K88-N131 WeakPolarHBondContact CE-OD1 3.41Å; K88-N131 PolarHBondContact NZ-OD1 2.94Å; T113-N131 VanDerWaalsContact C-CG 3.49Å; T113-N131 WeakPolarHBondContact CG2-O 3.17Å; T113-N131 PolarHBondContact O-OD1 3.24Å; G114-N131 VanDerWaalsContact C-ND2 3.34Å; G114-N131 WeakPolarHBondContact CA-ND2 3.43Å; G114-N131 PolarHBondContact N-ND2 3.1Å; G114-N131 PolarHBondContact O-ND2 2.95Å; K117-N131 HydrophobicContact CB-CB 3.92Å; K117-N131 HydrophobicContact CD-CB 4.13Å; K117-N131 HydrophobicContact CG-CB 3.95Å; A127-N131 WeakPolarHBondContact O-CB 3.36Å; A127-N131 PolarHBondContact O-N 3.26Å; A127-N131 PolarHBondContact O-OD1 2.76Å; A128-N131 PolarHBondContact O-N 2.82Å; M129-N131 VanDerWaalsContact C-N 3.34Å; M129-N131 PolarHBondContact O-N 2.89Å; N131-V134 PolarHBondContact O-N 3.27Å; N131-A135 WeakPolarHBondContact O-CB 3.32Å; N131-A135 PolarHBondContact O-N 3.5Å
132G98.9Very high98.5Very high29 Ų2933.7 Ų33.730%0.29922%0.223SC..Hα-helixtrans-64.2-43.9178.500000112.5A128 M129 V134 A135 A136A128-G132 PolarHBondContact O-N 2.85Å; M129-G132 PolarHBondContact O-N 2.81Å; G132-V134 PolarHBondContact O-N 3.49Å; G132-A135 PolarHBondContact O-N 3.45Å; G132-A136 WeakPolarHBondContact O-CB 3.49Å; G132-A136 PolarHBondContact O-N 2.91Å
133G98.9Very high98.6Very high29 Ų2934.8 Ų34.830%0.29922%0.222SC..Hα-helixtrans-61.1-44.2177.100000112.7M129 A130 F137M129-G133 PolarHBondContact O-N 2.89Å; A130-G133 PolarHBondContact O-N 3.35Å; G133-F137 VanDerWaalsContact O-CB 3.3Å; G133-F137 WeakPolarHBondContact O-CB 3.44Å; G133-F137 PolarHBondContact O-N 3.23Å
134V98.9Very high98.6Very high0 Ų040 Ų400%025%0.246CC..Hα-helixtrans-65.6-43.1175.51720000111.5L89 Q92 L111 T113 A130 N131 G132 A136 F137 V138L89-V134 HydrophobicContact CD1-CG2 3.97Å; Q92-V134 HydrophobicContact CB-CG2 4.31Å; L111-V134 HydrophobicContact CB-CG1 3.98Å; L111-V134 HydrophobicContact CD1-CG1 3.87Å; T113-V134 HydrophobicContact CG2-CB 3.94Å; T113-V134 HydrophobicContact CG2-CG1 3.73Å; A130-V134 WeakPolarHBondContact O-CG2 3.39Å; A130-V134 PolarHBondContact O-N 3.47Å; N131-V134 PolarHBondContact O-N 3.27Å; G132-V134 PolarHBondContact O-N 3.49Å; V134-A136 PolarHBondContact O-N 3.05Å; V134-F137 PolarHBondContact O-N 2.76Å; V134-V138 HydrophobicContact CG1-CG2 4.26Å; V134-V138 WeakPolarHBondContact O-CB 3.47Å; V134-V138 VanDerWaalsContact O-CG2 3.24Å; V134-V138 WeakPolarHBondContact O-CG2 3.32Å; V134-V138 PolarHBondContact O-N 3.02Å
135A98.9Very high98.6Very high15 Ų1541.7 Ų41.712%0.12425%0.253CS..Hα-helixtrans-61.2-45.5179.200000112.2T113 K117 N131 G132 V138 K139T113-A135 HydrophobicContact CG2-CB 4.17Å; K117-A135 HydrophobicContact CD-CB 4.35Å; N131-A135 WeakPolarHBondContact O-CB 3.32Å; N131-A135 PolarHBondContact O-N 3.5Å; G132-A135 PolarHBondContact O-N 3.45Å; A135-V138 PolarHBondContact O-N 2.94Å; A135-K139 PolarHBondContact O-N 2.96Å; A135-K139 VanDerWaalsContact O-N 3.12Å
136A98.9Very high98.3Very high66 Ų6645.1 Ų45.155%0.54527%0.269SS..Hα-helixtrans-64.8-43.8176.800000111.9G132 V134 V138 K139 S140G132-A136 WeakPolarHBondContact O-CB 3.49Å; G132-A136 PolarHBondContact O-N 2.91Å; V134-A136 PolarHBondContact O-N 3.05Å; A136-V138 PolarHBondContact O-N 2.87Å; A136-K139 PolarHBondContact O-N 3.2Å; A136-S140 PolarHBondContact O-N 3.1Å
137F98.9Very high98.1Very high46 Ų4649.6 Ų49.620%0.20229%0.29CS..Hα-helixtrans-57.2-49175.2170.9-99.2000111.7I93 T96 L97 G133 V134 K139 S140 A141 I151I93-F137 HydrophobicContact CD1-CB 4.15Å; I93-F137 HydrophobicContact CD1-CD2 4.38Å; I93-F137 HydrophobicContact CD1-CG 4.1Å; I93-F137 HydrophobicContact CG1-CB 4.33Å; I93-F137 HydrophobicContact CG1-CD1 3.85Å; I93-F137 HydrophobicContact CG1-CD2 4.31Å; I93-F137 HydrophobicContact CG1-CE1 4.22Å; I93-F137 HydrophobicContact CG1-CG 3.89Å; I93-F137 HydrophobicContact CG2-CD2 4.16Å; I93-F137 HydrophobicContact CG2-CE1 4.33Å; I93-F137 HydrophobicContact CG2-CE2 3.85Å; I93-F137 HydrophobicContact CG2-CZ 3.94Å; T96-F137 HydrophobicContact CG2-CE1 3.73Å; T96-F137 HydrophobicContact CG2-CZ 3.74Å; L97-F137 HydrophobicContact CD2-CE2 4.41Å; L97-F137 HydrophobicContact CD2-CZ 4.33Å; G133-F137 VanDerWaalsContact O-CB 3.3Å; G133-F137 WeakPolarHBondContact O-CB 3.44Å; G133-F137 PolarHBondContact O-N 3.23Å; V134-F137 PolarHBondContact O-N 2.76Å; F137-K139 PolarHBondContact O-N 3.24Å; F137-S140 PolarHBondContact O-N 3.32Å; F137-A141 HydrophobicContact CE1-CB 4.37Å; F137-A141 HydrophobicContact CE2-CB 4.27Å; F137-A141 HydrophobicContact CZ-CB 4.15Å; F137-A141 WeakPolarHBondContact O-CB 3.46Å; F137-A141 PolarHBondContact O-N 3.37Å; F137-I151 HydrophobicContact CE1-CD1 4.1Å
138V98.9Very high98Very high1 Ų151.3 Ų51.31%0.00631%0.307CS..Hα-helixtrans-57.5-48179162.70000111.5L111 V134 A135 A136 S140 A142 I151 C153L111-V138 HydrophobicContact CD1-CG2 3.83Å; L111-V138 HydrophobicContact CG-CG2 4.4Å; V134-V138 HydrophobicContact CG1-CG2 4.26Å; V134-V138 WeakPolarHBondContact O-CB 3.47Å; V134-V138 VanDerWaalsContact O-CG2 3.24Å; V134-V138 WeakPolarHBondContact O-CG2 3.32Å; V134-V138 PolarHBondContact O-N 3.02Å; A135-V138 PolarHBondContact O-N 2.94Å; A136-V138 PolarHBondContact O-N 2.87Å; V138-S140 VanDerWaalsContact C-N 3.34Å; V138-S140 PolarHBondContact O-N 3.25Å; V138-A142 WeakPolarHBondContact O-CB 3.35Å; V138-A142 PolarHBondContact O-N 3.22Å; V138-I151 HydrophobicContact CG1-CG1 4.25Å; V138-I151 HydrophobicContact CG2-CD1 4.16Å; V138-I151 HydrophobicContact CG2-CG1 4.1Å; V138-C153 HydrophobicContact CG1-CB 4.44Å; V138-C153 HydrophobicContact CG2-CB 4.05Å
139K98.8Very high98Very high153 Ų15350.9 Ų50.967%0.66530%0.302SS*.Hα-helixtrans-63-41.8-178.5-174.2169.4-175.7169.60112A135 A136 F137A135-K139 PolarHBondContact O-N 2.96Å; A135-K139 VanDerWaalsContact O-N 3.12Å; A136-K139 PolarHBondContact O-N 3.2Å; F137-K139 PolarHBondContact O-N 3.24Å
140S98.8Very high98Very high76 Ų7649.1 Ų49.153%0.53129%0.292SS..Hα-helixtrans-74.3-47.1179.4-164.60000112A136 F137 V138 A142 I143A136-S140 PolarHBondContact O-N 3.1Å; F137-S140 PolarHBondContact O-N 3.32Å; V138-S140 VanDerWaalsContact C-N 3.34Å; V138-S140 PolarHBondContact O-N 3.25Å; S140-A142 PolarHBondContact O-N 2.74Å; S140-A142 VanDerWaalsContact O-N 3.14Å; S140-I143 WeakPolarHBondContact O-CG1 2.94Å; S140-I143 PolarHBondContact O-N 3.37Å
141A98.6Very high98Very high13 Ų1349.1 Ų49.111%0.10729%0.292CS..Hα-helixtrans-62-25.6-177.200000113F137 I143 D144 F145 I151F137-A141 HydrophobicContact CE1-CB 4.37Å; F137-A141 HydrophobicContact CE2-CB 4.27Å; F137-A141 HydrophobicContact CZ-CB 4.15Å; F137-A141 WeakPolarHBondContact O-CB 3.46Å; F137-A141 PolarHBondContact O-N 3.37Å; A141-I143 PolarHBondContact O-N 2.95Å; A141-I143 VanDerWaalsContact O-N 3.13Å; A141-D144 PolarHBondContact O-N 3.17Å; A141-D144 VanDerWaalsContact O-N 3.15Å; A141-F145 WeakPolarHBondContact O-CD2 3.47Å; A141-I151 HydrophobicContact CB-CG2 4.45Å
142A98.7Very high98Very high12 Ų1249.1 Ų49.110%0.09929%0.292CS..THydrogen-bonded Turntrans-57.9-24.2179.700000115V138 S140 I151 T194V138-A142 WeakPolarHBondContact O-CB 3.35Å; V138-A142 PolarHBondContact O-N 3.22Å; S140-A142 PolarHBondContact O-N 2.74Å; S140-A142 VanDerWaalsContact O-N 3.14Å; A142-I151 HydrophobicContact CB-CG2 3.8Å; A142-T194 HydrophobicContact CB-CG2 4.25Å; A142-T194 WeakPolarHBondContact CB-OG1 3.44Å
143I98.3Very high98Very high138 Ų13847.7 Ų47.771%0.70828%0.277SS*.THydrogen-bonded Turntrans-91.6-13.8-17977.7-177.4000113.4S140 A141S140-I143 WeakPolarHBondContact O-CG1 2.94Å; S140-I143 PolarHBondContact O-N 3.37Å; A141-I143 PolarHBondContact O-N 2.95Å; A141-I143 VanDerWaalsContact O-N 3.13Å
144D97.6Very high98Very high121 Ų12146.3 Ų46.365%0.64726%0.263SS*.THydrogen-bonded Turntrans-89.2-16.4-175-72.2-6.8000112.7A141 T146A141-D144 PolarHBondContact O-N 3.17Å; A141-D144 VanDerWaalsContact O-N 3.15Å; D144-T146 PolarHBondContact O-N 3Å
145F97Very high98Very high40 Ų4046.3 Ų46.318%0.17526%0.263CS..  trans-73.5123.8-178.8-73.8-59.7000112.6T96 Q100 I109 A141 I149 I151T96-F145 HydrophobicContact CG2-CZ 4.22Å; Q100-F145 HydrophobicContact CB-CE1 3.75Å; Q100-F145 HydrophobicContact CB-CZ 4.26Å; Q100-F145 HydrophobicContact CG-CE1 4.2Å; I109-F145 HydrophobicContact CD1-CZ 4.23Å; A141-F145 WeakPolarHBondContact O-CD2 3.47Å; F145-I149 HydrophobicContact CB-CB 3.96Å; F145-I149 WeakPolarHBondContact CB-O 3.32Å; F145-I149 HydrophobicContact CD1-CB 3.82Å; F145-I149 HydrophobicContact CD1-CD1 4.13Å; F145-I149 HydrophobicContact CD1-CG2 3.82Å; F145-I149 HydrophobicContact CD2-CB 4.31Å; F145-I149 HydrophobicContact CD2-CG2 3.91Å; F145-I149 HydrophobicContact CE1-CB 4.41Å; F145-I149 HydrophobicContact CE1-CD1 4.4Å; F145-I149 HydrophobicContact CE1-CG2 3.93Å; F145-I149 HydrophobicContact CE2-CG2 4.01Å; F145-I149 HydrophobicContact CG-CB 3.77Å; F145-I149 HydrophobicContact CG-CG2 3.81Å; F145-I149 HydrophobicContact CZ-CG2 4.02Å; F145-I151 HydrophobicContact CD2-CG2 4.18Å; F145-I151 HydrophobicContact CE2-CB 3.99Å; F145-I151 HydrophobicContact CE2-CG2 3.73Å
146T92.8Very high98Very high119 Ų11946.1 Ų46.173%0.7326%0.261SS*.SBendtrans-100.8-14-177.5580000114.5D144D144-T146 PolarHBondContact O-N 3Å
147Q94Very high98Very high95 Ų9543.6 Ų43.644%0.44424%0.238SC..SBendtrans-95.621.8-177.1-63.5-62-39.500113.5R105 D106 I149R105-Q147 VanDerWaalsContact CG-O 3.27Å; R105-Q147 WeakPolarHBondContact CG-O 3.42Å; D106-Q147 PolarHBondContact N-O 2.87Å; Q147-I149 HydrophobicContact CB-CD1 4.37Å; Q147-I149 HydrophobicContact CB-CG1 4.3Å; Q147-I149 PolarHBondContact O-N 3.44Å
148G96.1Very high97.9Very high35 Ų3542 Ų4236%0.36123%0.231SC..SBendtrans69.86.6-173.200000114R150G148-R150 PolarHBondContact O-N 2.8Å
149I98.2Very high97.9Very high12 Ų1242.6 Ų42.66%0.06224%0.235CC..  trans-59.6134.8176.5-67.2170.1000109.3L103 G107 F145 Q147L103-I149 HydrophobicContact CB-CD1 3.97Å; L103-I149 HydrophobicContact CB-CG1 4.33Å; L103-I149 HydrophobicContact CD1-CD1 4.23Å; L103-I149 HydrophobicContact CD1-CG1 4.35Å; L103-I149 HydrophobicContact CD1-CG2 3.84Å; G107-I149 VanDerWaalsContact O-CA 3.3Å; G107-I149 WeakPolarHBondContact O-CA 3.39Å; F145-I149 HydrophobicContact CB-CB 3.96Å; F145-I149 WeakPolarHBondContact CB-O 3.32Å; F145-I149 HydrophobicContact CD1-CB 3.82Å; F145-I149 HydrophobicContact CD1-CD1 4.13Å; F145-I149 HydrophobicContact CD1-CG2 3.82Å; F145-I149 HydrophobicContact CD2-CB 4.31Å; F145-I149 HydrophobicContact CD2-CG2 3.91Å; F145-I149 HydrophobicContact CE1-CB 4.41Å; F145-I149 HydrophobicContact CE1-CD1 4.4Å; F145-I149 HydrophobicContact CE1-CG2 3.93Å; F145-I149 HydrophobicContact CE2-CG2 4.01Å; F145-I149 HydrophobicContact CG-CB 3.77Å; F145-I149 HydrophobicContact CG-CG2 3.81Å; F145-I149 HydrophobicContact CZ-CG2 4.02Å; Q147-I149 HydrophobicContact CB-CD1 4.37Å; Q147-I149 HydrophobicContact CB-CG1 4.3Å; Q147-I149 PolarHBondContact O-N 3.44Å
150R98.7Very high97.8Very high31 Ų3139 Ų3912%0.11723%0.225CC..EExtended strand (participates in β ladder)trans-109.7146.2175.4-58.4178.1-63.3101.21110.3G107 S108 I109 G148 S188 V189 G191 K192 Q193 T194G107-R150 PolarHBondContact O-N 3.12Å; S108-R150 CarbonylContact C-O 3.48Å; S108-R150 VanDerWaalsContact CA-O 3.29Å; S108-R150 WeakPolarHBondContact CA-O 3.35Å; I109-R150 PolarHBondContact N-O 3.47Å; G148-R150 PolarHBondContact O-N 2.8Å; R150-S188 PolarHBondContact NH1-O 2.9Å; R150-S188 PolarHBondContact NH2-O 3.35Å; R150-V189 PolarHBondContact NH2-O 3.16Å; R150-G191 PolarHBondContact NE-O 3.38Å; R150-G191 PolarHBondContact NH1-O 3.43Å; R150-G191 PolarHBondContact NH2-O 3.12Å; R150-K192 WeakPolarHBondContact CD-O 3.37Å; R150-Q193 PolarHBondContact NH1-O 2.93Å; R150-T194 WeakPolarHBondContact CA-OG1 3.34Å
151I98.9Very high97.7Very high0 Ų040 Ų400%022%0.222CC..EExtended strand (participates in β ladder)trans-133.6132.7172.5-175.3166.2000109.9T96 I109 L111 F137 V138 A141 A142 F145 T194 G195T96-I151 HydrophobicContact CG2-CD1 3.67Å; I109-I151 HydrophobicContact CB-CB 4.22Å; I109-I151 HydrophobicContact CB-CD1 4.23Å; I109-I151 HydrophobicContact CB-CG1 3.93Å; I109-I151 HydrophobicContact CG2-CD1 4.07Å; I109-I151 HydrophobicContact CG2-CG1 4.1Å; I109-I151 CarbonylContact O-C 3.59Å; I109-I151 VanDerWaalsContact O-CA 3.32Å; I109-I151 WeakPolarHBondContact O-CA 3.43Å; L111-I151 HydrophobicContact CD1-CD1 4.39Å; F137-I151 HydrophobicContact CE1-CD1 4.1Å; V138-I151 HydrophobicContact CG1-CG1 4.25Å; V138-I151 HydrophobicContact CG2-CD1 4.16Å; V138-I151 HydrophobicContact CG2-CG1 4.1Å; A141-I151 HydrophobicContact CB-CG2 4.45Å; A142-I151 HydrophobicContact CB-CG2 3.8Å; F145-I151 HydrophobicContact CD2-CG2 4.18Å; F145-I151 HydrophobicContact CE2-CB 3.99Å; F145-I151 HydrophobicContact CE2-CG2 3.73Å; I151-T194 PolarHBondContact N-OG1 3.34Å; I151-T194 PolarHBondContact O-OG1 3.07Å; I151-G195 PolarHBondContact O-N 3Å
152N99Very high97.5Very high0 Ų040.2 Ų40.20%022%0.222CC..EExtended strand (participates in β ladder)trans-139173.1172.6-53.4-67000109.9I109 T110 L111 S188 Q193 T194 G195 Q196 Y198I109-N152 PolarHBondContact O-N 3.21Å; T110-N152 WeakPolarHBondContact CA-O 3.41Å; L111-N152 PolarHBondContact N-O 3.09Å; N152-S188 WeakPolarHBondContact CB-OG 3.24Å; N152-S188 PolarHBondContact ND2-OG 2.94Å; N152-Q193 PolarHBondContact ND2-O 3.21Å; N152-T194 VanDerWaalsContact OD1-C 3.24Å; N152-T194 WeakPolarHBondContact OD1-CA 3.32Å; N152-G195 PolarHBondContact OD1-N 3.07Å; N152-Q196 WeakPolarHBondContact CA-O 3.39Å; N152-Q196 HydrophobicContact CB-CB 4.46Å; N152-Q196 WeakPolarHBondContact CB-O 3.13Å; N152-Q196 WeakPolarHBondContact OD1-CB 3.45Å; N152-Q196 PolarHBondContact OD1-N 3.24Å; N152-Y198 HydrophobicContact CB-CD2 4.27Å; N152-Y198 HydrophobicContact CB-CE2 3.66Å
153C98.9Very high97.2Very high0 Ų042.4 Ų42.40%023%0.228CC..EExtended strand (participates in β ladder)trans-131.7156.6166.958.20000112L111 T113 V138 Q196 E197 Y198L111-C153 HydrophobicContact CB-CB 4.29Å; L111-C153 CarbonylContact O-C 3.52Å; L111-C153 VanDerWaalsContact O-CA 3.22Å; L111-C153 WeakPolarHBondContact O-CA 3.46Å; T113-C153 HydrophobicContact CG2-CB 3.97Å; V138-C153 HydrophobicContact CG1-CB 4.44Å; V138-C153 HydrophobicContact CG2-CB 4.05Å; C153-Q196 PolarHBondContact N-O 3.36Å; C153-E197 WeakPolarHBondContact O-CA 3.47Å; C153-Y198 PolarHBondContact O-N 3.46Å
154V99Very high97Very high0 Ų042.2 Ų42.20%023%0.229CC..EExtended strand (participates in β ladder)trans-111.8130.5173.5179.40000108.7T110 L111 T113 P156 V181 A184 F185 Y198 V200T110-V154 HydrophobicContact CG2-CG2 3.94Å; L111-V154 PolarHBondContact O-N 2.81Å; T113-V154 PolarHBondContact N-O 3.4Å; T113-V154 PolarHBondContact OG1-O 2.96Å; V154-P156 WeakPolarHBondContact O-CD 3.34Å; V154-V181 HydrophobicContact CG1-CG1 4.09Å; V154-A184 HydrophobicContact CB-CB 4.47Å; V154-A184 HydrophobicContact CG1-CB 3.73Å; V154-A184 HydrophobicContact CG2-CB 3.88Å; V154-F185 HydrophobicContact CB-CD2 4.13Å; V154-F185 HydrophobicContact CB-CE1 4.24Å; V154-F185 HydrophobicContact CB-CE2 3.6Å; V154-F185 HydrophobicContact CB-CZ 3.67Å; V154-F185 HydrophobicContact CG1-CD2 4.12Å; V154-F185 HydrophobicContact CG1-CE2 3.64Å; V154-F185 HydrophobicContact CG1-CZ 4.2Å; V154-F185 HydrophobicContact CG2-CD1 4.05Å; V154-F185 HydrophobicContact CG2-CD2 3.82Å; V154-F185 HydrophobicContact CG2-CE1 4.07Å; V154-F185 HydrophobicContact CG2-CE2 3.8Å; V154-F185 HydrophobicContact CG2-CG 3.94Å; V154-F185 HydrophobicContact CG2-CZ 3.93Å; V154-Y198 WeakPolarHBondContact CA-O 3.49Å; V154-Y198 HydrophobicContact CG2-CD2 4.26Å; V154-V200 HydrophobicContact CG1-CG2 4.23Å
155S98.8Very high96.7Very high0 Ų045 Ų450%024%0.235CC..EExtended strand (participates in β ladder)trans-111.888.8-177.3-152.90000109.3T113 G114 E197 Y198 V200 Y201T113-S155 WeakPolarHBondContact OG1-CA 3.36Å; T113-S155 VanDerWaalsContact OG1-CB 3.23Å; T113-S155 WeakPolarHBondContact OG1-CB 3.48Å; T113-S155 PolarHBondContact OG1-OG 3.39Å; T113-S155 VanDerWaalsContact OG1-OG 3.11Å; G114-S155 PolarHBondContact N-OG 2.92Å; S155-E197 WeakPolarHBondContact CB-OE1 3.19Å; S155-E197 PolarHBondContact OG-OE1 3.05Å; S155-Y198 PolarHBondContact N-O 3.29Å; S155-V200 PolarHBondContact O-N 2.74Å; S155-Y201 WeakPolarHBondContact O-CE1 3.29Å; S155-Y201 PolarHBondContact OG-OH 3.22Å
156P98.7Very high96.4Very high11 Ų1147.2 Ų47.27%0.07125%0.245CC..EExtended strand (participates in β ladder)trans-78.2150.3-179.231-36.8000112.5I14 T112 G114 I115 V154 V181I14-P156 HydrophobicContact CD1-CB 4.48Å; I14-P156 HydrophobicContact CD1-CG 4.07Å; T112-P156 HydrophobicContact CG2-CG 4.25Å; G114-P156 WeakPolarHBondContact CA-O 3.41Å; I115-P156 PolarHBondContact N-O 3.33Å; V154-P156 WeakPolarHBondContact O-CD 3.34Å; P156-V181 HydrophobicContact CB-CG1 3.87Å; P156-V181 HydrophobicContact CB-CG2 3.82Å
157N98.4Very high96.3Very high13 Ų1345.8 Ų45.87%0.0723%0.23CC..  trans-70.5177.8156.5-146.9-26.6000111.5I115 F173 V174 V176 V200 Y201I115-N157 HydrophobicContact CD1-CB 4.26Å; I115-N157 VanDerWaalsContact CD1-CG 3.49Å; I115-N157 WeakPolarHBondContact CD1-OD1 3.41Å; N157-F173 WeakPolarHBondContact OD1-CD1 3.33Å; N157-V174 PolarHBondContact ND2-O 3.05Å; N157-V176 HydrophobicContact CB-CB 4.46Å; N157-V176 HydrophobicContact CB-CG1 3.93Å; N157-V176 HydrophobicContact CB-CG2 3.8Å; N157-V200 PolarHBondContact N-O 2.63Å; N157-Y201 PolarHBondContact ND2-OXT 2.79Å
158V97.6Very high96.3Very high11 Ų1147.1 Ų47.17%0.06724%0.24CC..  trans-56138162.9640000110Y163 F166 F170 F173 P175 V176V158-Y163 HydrophobicContact CG1-CD2 3.92Å; V158-Y163 HydrophobicContact CG1-CE2 4.11Å; V158-Y163 HydrophobicContact CG2-CD2 3.99Å; V158-F166 HydrophobicContact CG2-CB 4.05Å; V158-F170 HydrophobicContact CB-CB 4.41Å; V158-F170 HydrophobicContact CB-CD1 3.94Å; V158-F170 HydrophobicContact CB-CD2 4.29Å; V158-F170 HydrophobicContact CB-CE1 4.23Å; V158-F170 HydrophobicContact CB-CG 3.96Å; V158-F170 HydrophobicContact CG1-CB 4.06Å; V158-F170 HydrophobicContact CG1-CD1 4.04Å; V158-F170 HydrophobicContact CG1-CG 4.08Å; V158-F170 HydrophobicContact CG2-CD2 4.2Å; V158-F170 HydrophobicContact CG2-CG 4.25Å; V158-F173 HydrophobicContact CG1-CB 4.13Å; V158-P175 HydrophobicContact CG1-CB 4.13Å; V158-P175 CarbonylContact O-C 3.59Å; V158-P175 VanDerWaalsContact O-CA 3.24Å; V158-P175 WeakPolarHBondContact O-CA 3.32Å; V158-P175 WeakPolarHBondContact O-CB 3.25Å; V158-V176 PolarHBondContact O-N 3.48Å
159L98.1Very high96.2Very high14 Ų1447.8 Ų47.87%0.07324%0.239CC..BIsolated β-bridgetrans-88.3144.3-173.7-54.3175.1000111.6T13 I14 E161 S162 Y163 V176 A178 V181T13-L159 HydrophobicContact CG2-CD1 3.9Å; I14-L159 HydrophobicContact CD1-CD1 4.04Å; I14-L159 HydrophobicContact CG1-CD1 3.38Å; I14-L159 HydrophobicContact CG1-CD2 4.32Å; I14-L159 HydrophobicContact CG1-CG 4.38Å; L159-E161 PolarHBondContact O-N 3.17Å; L159-S162 CarbonylContact O-C 3.6Å; L159-S162 PolarHBondContact O-N 3.46Å; L159-Y163 WeakPolarHBondContact O-CB 3.38Å; L159-Y163 PolarHBondContact O-N 3.17Å; L159-V176 CarbonylContact C-O 3.57Å; L159-V176 VanDerWaalsContact CA-O 3.22Å; L159-V176 WeakPolarHBondContact CA-O 3.32Å; L159-V176 HydrophobicContact CD2-CG2 4.21Å; L159-A178 HydrophobicContact CD1-CB 4.42Å; L159-V181 HydrophobicContact CD2-CG2 3.81Å
160V97.9Very high96.1Very high77 Ų7747.7 Ų47.747%0.46724%0.239SC..G310 helixtrans-53.2-45.7171.9171.30000110.4S162 Y163 P175 V176V160-S162 PolarHBondContact O-N 3.46Å; V160-S162 VanDerWaalsContact O-N 3.09Å; V160-Y163 PolarHBondContact O-N 3.41Å; V160-P175 HydrophobicContact CG2-CB 3.93Å; V160-P175 HydrophobicContact CG2-CG 4.06Å; V160-V176 PolarHBondContact N-O 3.03Å
161E97.2Very high95.9Very high99 Ų9955.6 Ų55.646%0.46327%0.268SS..G310 helixtrans-69.4-8.3-177.4-57.986.3164.900113.7T13 L159 A178T13-E161 HydrophobicContact CG2-CB 3.59Å; T13-E161 HydrophobicContact CG2-CG 4.34Å; L159-E161 PolarHBondContact O-N 3.17Å; E161-A178 VanDerWaalsContact CD-CB 3.48Å; E161-A178 VanDerWaalsContact CD-N 3.34Å; E161-A178 VanDerWaalsContact OE1-CB 3.27Å; E161-A178 WeakPolarHBondContact OE1-CB 3.44Å; E161-A178 PolarHBondContact OE1-N 3.09Å; E161-A178 WeakPolarHBondContact OE2-CB 3.26Å; E161-A178 PolarHBondContact OE2-N 2.99Å
162S93.2Very high95.8Very high16 Ų1659.1 Ų59.111%0.11231%0.305CS..G310 helixtrans-125.93.3177.8-58.10000112.8L159 V160 D164 K165 F166L159-S162 CarbonylContact O-C 3.6Å; L159-S162 PolarHBondContact O-N 3.46Å; V160-S162 PolarHBondContact O-N 3.46Å; V160-S162 VanDerWaalsContact O-N 3.09Å; S162-D164 PolarHBondContact O-N 3.29Å; S162-K165 PolarHBondContact O-N 3.4Å; S162-K165 VanDerWaalsContact O-N 3.17Å; S162-F166 WeakPolarHBondContact O-CD2 3.13Å; S162-F166 PolarHBondContact O-N 3.16Å
163Y93.4Very high95.8Very high58 Ų5860.6 Ų60.623%0.22731%0.311CS..Hα-helixtrans-64.4-40.5-170.9-169.6-111.2000112V158 L159 V160 K165 F166 Q167 F170 P175V158-Y163 HydrophobicContact CG1-CD2 3.92Å; V158-Y163 HydrophobicContact CG1-CE2 4.11Å; V158-Y163 HydrophobicContact CG2-CD2 3.99Å; L159-Y163 WeakPolarHBondContact O-CB 3.38Å; L159-Y163 PolarHBondContact O-N 3.17Å; V160-Y163 PolarHBondContact O-N 3.41Å; Y163-K165 PolarHBondContact O-N 3.43Å; Y163-F166 CarbonylContact O-C 3.5Å; Y163-F166 PolarHBondContact O-N 2.94Å; Y163-Q167 HydrophobicContact CD1-CB 4.37Å; Y163-Q167 HydrophobicContact CE1-CB 4.07Å; Y163-Q167 WeakPolarHBondContact O-CA 3.43Å; Y163-Q167 WeakPolarHBondContact O-CB 3.31Å; Y163-Q167 PolarHBondContact O-N 2.99Å; Y163-F170 HydrophobicContact CE2-CB 4.47Å; Y163-P175 HydrophobicContact CD1-CG 4.36Å; Y163-P175 HydrophobicContact CD2-CB 3.82Å; Y163-P175 HydrophobicContact CD2-CG 3.9Å; Y163-P175 HydrophobicContact CE2-CB 4.44Å; Y163-P175 HydrophobicContact CE2-CG 4.29Å; Y163-P175 HydrophobicContact CG-CB 4.13Å; Y163-P175 HydrophobicContact CG-CG 3.94Å
164D93.7Very high95.7Very high135 Ų13566 Ų6672%0.72234%0.344SS*.Hα-helixtrans-54.4-33178-65.6-18.7000113.2S162 Q167S162-D164 PolarHBondContact O-N 3.29Å; D164-Q167 PolarHBondContact O-NE2 3.27Å
165K91.6Very high95.6Very high179 Ų17967.6 Ų67.678%0.77836%0.355SS*.Hα-helixtrans-81.2-22.6179.7-63.3-179.9-178.8176.30113.5S162 Y163S162-K165 PolarHBondContact O-N 3.4Å; S162-K165 VanDerWaalsContact O-N 3.17Å; Y163-K165 PolarHBondContact O-N 3.43Å
166F91.2Very high95.6Very high86 Ų8667.7 Ų67.738%0.37736%0.355SS..Hα-helixtrans-120.51.2-170.4-65-60.9000113.4V158 S162 Y163 D168 S169 F170V158-F166 HydrophobicContact CG2-CB 4.05Å; S162-F166 WeakPolarHBondContact O-CD2 3.13Å; S162-F166 PolarHBondContact O-N 3.16Å; Y163-F166 CarbonylContact O-C 3.5Å; Y163-F166 PolarHBondContact O-N 2.94Å; F166-D168 VanDerWaalsContact C-N 3.26Å; F166-D168 PolarHBondContact O-N 2.88Å; F166-D168 VanDerWaalsContact O-N 3.16Å; F166-S169 PolarHBondContact O-N 3.1Å; F166-F170 HydrophobicContact CB-CD2 3.88Å; F166-F170 HydrophobicContact CB-CE2 4.28Å; F166-F170 PolarHBondContact O-N 3.37Å
167Q90.8Very high95.6Very high89 Ų8969.8 Ų69.842%0.41637%0.368SS..THydrogen-bonded Turntrans-55-36.6-17366-175.5-65.500113.9Y163 D164 F170 R171Y163-Q167 HydrophobicContact CD1-CB 4.37Å; Y163-Q167 HydrophobicContact CE1-CB 4.07Å; Y163-Q167 WeakPolarHBondContact O-CA 3.43Å; Y163-Q167 WeakPolarHBondContact O-CB 3.31Å; Y163-Q167 PolarHBondContact O-N 2.99Å; D164-Q167 PolarHBondContact O-NE2 3.27Å; Q167-F170 CarbonylContact O-C 3.5Å; Q167-F170 PolarHBondContact O-N 3.18Å; Q167-R171 WeakPolarHBondContact O-CA 3.44Å; Q167-R171 PolarHBondContact O-N 3.31Å
168D93.7Very high95.6Very high123 Ų12369.2 Ų69.266%0.65837%0.366SS*.THydrogen-bonded Turntrans-71-36.5-178.8-72.3-36.3000111.9F166 R171F166-D168 VanDerWaalsContact C-N 3.26Å; F166-D168 PolarHBondContact O-N 2.88Å; F166-D168 VanDerWaalsContact O-N 3.16Å; D168-R171 IonicContact OD1-NH2 3.78Å
169S93.6Very high95.6Very high50 Ų5073.9 Ų73.935%0.3539%0.387SS..THydrogen-bonded Turntrans-77.2-28.4177.8-54.60000112.7I121 F166I121-S169 WeakPolarHBondContact CB-O 3.43Å; I121-S169 WeakPolarHBondContact CG2-O 3.24Å; F166-S169 PolarHBondContact O-N 3.1Å
170F95.7Very high95.7Very high10 Ų1079.8 Ų79.84%0.04441%0.408CS..THydrogen-bonded Turntrans-112.430.4-177.2-71.9-92.3000112.5I115 M116 I121 V158 Y163 F166 Q167 G172 F173I115-F170 HydrophobicContact CG2-CE1 4.11Å; M116-F170 HydrophobicContact CG-CE1 4.22Å; M116-F170 HydrophobicContact CG-CZ 4.04Å; M116-F170 HydrophobicContact SD-CZ 4.04Å; I121-F170 HydrophobicContact CD1-CD1 4.48Å; I121-F170 HydrophobicContact CD1-CD2 3.92Å; I121-F170 HydrophobicContact CD1-CE1 4.01Å; I121-F170 HydrophobicContact CD1-CE2 3.39Å; I121-F170 HydrophobicContact CD1-CG 4.45Å; I121-F170 HydrophobicContact CD1-CZ 3.44Å; I121-F170 VanDerWaalsContact CD1-CZ 3.44Å; I121-F170 HydrophobicContact CG1-CZ 4.35Å; I121-F170 HydrophobicContact CG2-CD1 3.99Å; I121-F170 HydrophobicContact CG2-CE1 4.04Å; I121-F170 HydrophobicContact CG2-CG 4.47Å; V158-F170 HydrophobicContact CB-CB 4.41Å; V158-F170 HydrophobicContact CB-CD1 3.94Å; V158-F170 HydrophobicContact CB-CD2 4.29Å; V158-F170 HydrophobicContact CB-CE1 4.23Å; V158-F170 HydrophobicContact CB-CG 3.96Å; V158-F170 HydrophobicContact CG1-CB 4.06Å; V158-F170 HydrophobicContact CG1-CD1 4.04Å; V158-F170 HydrophobicContact CG1-CG 4.08Å; V158-F170 HydrophobicContact CG2-CD2 4.2Å; V158-F170 HydrophobicContact CG2-CG 4.25Å; Y163-F170 HydrophobicContact CE2-CB 4.47Å; F166-F170 HydrophobicContact CB-CD2 3.88Å; F166-F170 HydrophobicContact CB-CE2 4.28Å; F166-F170 PolarHBondContact O-N 3.37Å; Q167-F170 CarbonylContact O-C 3.5Å; Q167-F170 PolarHBondContact O-N 3.18Å; F170-G172 PolarHBondContact O-N 2.87Å; F170-F173 HydrophobicContact CB-CB 4.15Å; F170-F173 HydrophobicContact CB-CD2 4.04Å; F170-F173 HydrophobicContact CB-CG 4.13Å; F170-F173 AromaticContact CD1-CD1 3.89Å; F170-F173 HydrophobicContact CD1-CD1 3.89Å; F170-F173 HydrophobicContact CD1-CD2 4.06Å; F170-F173 HydrophobicContact CD1-CE1 4.08Å; F170-F173 HydrophobicContact CD1-CE2 4.25Å; F170-F173 AromaticContact CD1-CG 3.89Å; F170-F173 HydrophobicContact CD1-CG 3.89Å; F170-F173 HydrophobicContact CD1-CZ 4.25Å; F170-F173 HydrophobicContact CE1-CE1 4.49Å; F170-F173 WeakPolarHBondContact O-CB 3.21Å; F170-F173 WeakPolarHBondContact O-CD2 3.49Å; F170-F173 PolarHBondContact O-N 2.78Å
171R95.3Very high95.7Very high196 Ų19676.1 Ų76.174%0.7439%0.386SS*.THydrogen-bonded Turntrans-58.4123.6179.8-175.8178.7-68.9-155.8-0.6110.5Q167 D168Q167-R171 WeakPolarHBondContact O-CA 3.44Å; Q167-R171 PolarHBondContact O-N 3.31Å; D168-R171 IonicContact OD1-NH2 3.78Å
172G96.5Very high95.8Very high74 Ų7471.4 Ų71.476%0.76336%0.364SS*.THydrogen-bonded Turntrans95.7-8.9-178.500000114.5F170F170-G172 PolarHBondContact O-N 2.87Å
173F97.9Very high96Very high31 Ų3175 Ų7514%0.13638%0.38CS..  trans-77.6144.7171.2-72.3-112.5000110.4I115 D119 I121 N157 V158 F170 P175I115-F173 HydrophobicContact CD1-CD1 4.1Å; I115-F173 HydrophobicContact CD1-CE1 3.85Å; I115-F173 HydrophobicContact CG1-CE1 4.42Å; I115-F173 HydrophobicContact CG2-CE1 4.32Å; D119-F173 HydrophobicContact CB-CE1 3.97Å; D119-F173 HydrophobicContact CB-CZ 4.06Å; D119-F173 VanDerWaalsContact CG-CZ 3.45Å; I121-F173 HydrophobicContact CG2-CE2 3.81Å; I121-F173 HydrophobicContact CG2-CZ 3.82Å; N157-F173 WeakPolarHBondContact OD1-CD1 3.33Å; V158-F173 HydrophobicContact CG1-CB 4.13Å; F170-F173 HydrophobicContact CB-CB 4.15Å; F170-F173 HydrophobicContact CB-CD2 4.04Å; F170-F173 HydrophobicContact CB-CG 4.13Å; F170-F173 AromaticContact CD1-CD1 3.89Å; F170-F173 HydrophobicContact CD1-CD1 3.89Å; F170-F173 HydrophobicContact CD1-CD2 4.06Å; F170-F173 HydrophobicContact CD1-CE1 4.08Å; F170-F173 HydrophobicContact CD1-CE2 4.25Å; F170-F173 AromaticContact CD1-CG 3.89Å; F170-F173 HydrophobicContact CD1-CG 3.89Å; F170-F173 HydrophobicContact CD1-CZ 4.25Å; F170-F173 HydrophobicContact CE1-CE1 4.49Å; F170-F173 WeakPolarHBondContact O-CB 3.21Å; F170-F173 WeakPolarHBondContact O-CD2 3.49Å; F170-F173 PolarHBondContact O-N 2.78Å; F173-P175 WeakPolarHBondContact O-CD 3.47Å
174V97.7Very high96.3Very high113 Ų11372.8 Ų72.869%0.68537%0.373SS*.  trans-93.8112.1168.6-178.80000107.8N157N157-V174 PolarHBondContact ND2-O 3.05Å
175P97.7Very high96.5Very high35 Ų3566.3 Ų66.323%0.22734%0.339CS..  trans-67.6153.3-177.727.3-34.5000112.2V158 V160 Y163 F173V158-P175 HydrophobicContact CG1-CB 4.13Å; V158-P175 CarbonylContact O-C 3.59Å; V158-P175 VanDerWaalsContact O-CA 3.24Å; V158-P175 WeakPolarHBondContact O-CA 3.32Å; V158-P175 WeakPolarHBondContact O-CB 3.25Å; V160-P175 HydrophobicContact CG2-CB 3.93Å; V160-P175 HydrophobicContact CG2-CG 4.06Å; Y163-P175 HydrophobicContact CD1-CG 4.36Å; Y163-P175 HydrophobicContact CD2-CB 3.82Å; Y163-P175 HydrophobicContact CD2-CG 3.9Å; Y163-P175 HydrophobicContact CE2-CB 4.44Å; Y163-P175 HydrophobicContact CE2-CG 4.29Å; Y163-P175 HydrophobicContact CG-CB 4.13Å; Y163-P175 HydrophobicContact CG-CG 3.94Å; F173-P175 WeakPolarHBondContact O-CD 3.47Å
176V98.6Very high96.9Very high2 Ų258.5 Ų58.51%0.01231%0.306CS..BIsolated β-bridgetrans-108144175.9-61.30000111.4N157 V158 L159 V160 V181 V200 Y201N157-V176 HydrophobicContact CB-CB 4.46Å; N157-V176 HydrophobicContact CB-CG1 3.93Å; N157-V176 HydrophobicContact CB-CG2 3.8Å; V158-V176 PolarHBondContact O-N 3.48Å; L159-V176 CarbonylContact C-O 3.57Å; L159-V176 VanDerWaalsContact CA-O 3.22Å; L159-V176 WeakPolarHBondContact CA-O 3.32Å; L159-V176 HydrophobicContact CD2-CG2 4.21Å; V160-V176 PolarHBondContact N-O 3.03Å; V176-V181 HydrophobicContact CG2-CG2 3.62Å; V176-V200 HydrophobicContact CG2-CG1 4.37Å; V176-Y201 VanDerWaalsContact CG1-OXT 3.27Å; V176-Y201 WeakPolarHBondContact CG1-OXT 3.29Å
177P98.4Very high97.2Very high54 Ų5459.2 Ų59.235%0.35131%0.309SS..  trans-69.8143.1176.327.7-32.3000110.6E179 R180 V181P177-E179 PolarHBondContact O-N 3Å; P177-E179 VanDerWaalsContact O-N 3.15Å; P177-R180 HydrophobicContact CG-CB 3.8Å; P177-R180 PolarHBondContact O-N 2.79Å; P177-V181 PolarHBondContact O-N 3.48Å
178A98.4Very high97.6Very high2 Ų255 Ų552%0.01729%0.289CS..Hα-helixtrans-58.9-29.2179.100000112.3A17 L159 E161 V181 A182A17-A178 HydrophobicContact CB-CB 3.87Å; L159-A178 HydrophobicContact CD1-CB 4.42Å; E161-A178 VanDerWaalsContact CD-CB 3.48Å; E161-A178 VanDerWaalsContact CD-N 3.34Å; E161-A178 VanDerWaalsContact OE1-CB 3.27Å; E161-A178 WeakPolarHBondContact OE1-CB 3.44Å; E161-A178 PolarHBondContact OE1-N 3.09Å; E161-A178 WeakPolarHBondContact OE2-CB 3.26Å; E161-A178 PolarHBondContact OE2-N 2.99Å; A178-V181 PolarHBondContact O-N 2.9Å; A178-A182 WeakPolarHBondContact O-CB 3.49Å; A178-A182 PolarHBondContact O-N 3.12Å
179E98.1Very high97.8Very high109 Ų10949.6 Ų49.651%0.50926%0.261SS..Hα-helixtrans-59.7-45.1172.7-176.7178-161.800112.6K21 P177 V181 A182 M183K21-E179 VanDerWaalsContact CE-OE1 3.28Å; K21-E179 WeakPolarHBondContact CE-OE1 3.44Å; K21-E179 IonicContact NZ-OE1 3.94Å; K21-E179 PolarHBondContact NZ-OE1 3.06Å; P177-E179 PolarHBondContact O-N 3Å; P177-E179 VanDerWaalsContact O-N 3.15Å; E179-V181 VanDerWaalsContact C-N 3.27Å; E179-V181 PolarHBondContact O-N 3.04Å; E179-A182 WeakPolarHBondContact O-CB 3.34Å; E179-A182 PolarHBondContact O-N 3.07Å; E179-A182 VanDerWaalsContact O-N 3.15Å; E179-M183 PolarHBondContact O-N 3.16Å; E179-M183 VanDerWaalsContact O-N 3.07Å
180R98.6Very high98Very high137 Ų13751.4 Ų51.452%0.51726%0.264SS..Hα-helixtrans-63.8-38178.7-175.5-177.3179.1-148.5-5.1110.8P177 M183 V200 Y201P177-R180 HydrophobicContact CG-CB 3.8Å; P177-R180 PolarHBondContact O-N 2.79Å; R180-M183 PolarHBondContact O-N 2.96Å; R180-V200 HydrophobicContact CB-CG1 4.41Å; R180-V200 HydrophobicContact CG-CG1 3.76Å; R180-Y201 PolarHBondContact NH1-O 3.45Å
181V98.7Very high98.1Very high0 Ų052.1 Ų52.10%027%0.274CS..Hα-helixtrans-64.2-45.4173.4175.50000110.7I14 V154 P156 L159 V176 P177 A178 E179 M183 A184 F185 V200I14-V181 HydrophobicContact CD1-CG1 4.49Å; I14-V181 HydrophobicContact CG2-CG1 3.94Å; V154-V181 HydrophobicContact CG1-CG1 4.09Å; P156-V181 HydrophobicContact CB-CG1 3.87Å; P156-V181 HydrophobicContact CB-CG2 3.82Å; L159-V181 HydrophobicContact CD2-CG2 3.81Å; V176-V181 HydrophobicContact CG2-CG2 3.62Å; P177-V181 PolarHBondContact O-N 3.48Å; A178-V181 PolarHBondContact O-N 2.9Å; E179-V181 VanDerWaalsContact C-N 3.27Å; E179-V181 PolarHBondContact O-N 3.04Å; V181-M183 VanDerWaalsContact C-N 3.27Å; V181-M183 PolarHBondContact O-N 2.75Å; V181-A184 WeakPolarHBondContact O-CB 3.09Å; V181-A184 PolarHBondContact O-N 3.11Å; V181-F185 HydrophobicContact CG1-CD2 4.34Å; V181-F185 HydrophobicContact CG1-CE2 3.84Å; V181-F185 WeakPolarHBondContact O-CD2 3.41Å; V181-V200 HydrophobicContact CG2-CB 4.21Å; V181-V200 HydrophobicContact CG2-CG1 3.9Å
182A98.7Very high98.2Very high0 Ų052.2 Ų52.20%028%0.28CS..Hα-helixtrans-58.1-36.9178.500000112.8A17 I18 K21 A178 E179 A184 F185 V186A17-A182 VanDerWaalsContact C-CB 3.49Å; A17-A182 HydrophobicContact CB-CB 3.82Å; A17-A182 WeakPolarHBondContact O-CB 3.5Å; I18-A182 HydrophobicContact CG1-CB 4.21Å; K21-A182 HydrophobicContact CG-CB 4.08Å; A178-A182 WeakPolarHBondContact O-CB 3.49Å; A178-A182 PolarHBondContact O-N 3.12Å; E179-A182 WeakPolarHBondContact O-CB 3.34Å; E179-A182 PolarHBondContact O-N 3.07Å; E179-A182 VanDerWaalsContact O-N 3.15Å; A182-A184 PolarHBondContact O-N 3.36Å; A182-F185 WeakPolarHBondContact O-CA 3.36Å; A182-F185 WeakPolarHBondContact O-CB 3.23Å; A182-F185 PolarHBondContact O-N 3.18Å; A182-V186 PolarHBondContact O-N 2.98Å
183M98.7Very high98.3Very high93 Ų9352.8 Ų52.846%0.45826%0.263SS..Hα-helixtrans-62.1-28.3175.4-68.2-53.7-59.300113.6K21 E179 R180 V181 F185 V186 K187K21-M183 HydrophobicContact CD-SD 4.13Å; K21-M183 HydrophobicContact CG-SD 4.24Å; E179-M183 PolarHBondContact O-N 3.16Å; E179-M183 VanDerWaalsContact O-N 3.07Å; R180-M183 PolarHBondContact O-N 2.96Å; V181-M183 VanDerWaalsContact C-N 3.27Å; V181-M183 PolarHBondContact O-N 2.75Å; M183-F185 VanDerWaalsContact C-N 3.34Å; M183-V186 PolarHBondContact O-N 2.89Å; M183-V186 HydrophobicContact SD-CG2 4.37Å; M183-K187 WeakPolarHBondContact O-CB 3.42Å; M183-K187 PolarHBondContact O-N 3.08Å
184A98.9Very high98.4Very high10 Ų1053.7 Ų53.78%0.08327%0.271CS..Hα-helixtrans-70.7-31.5172.800000112.1V154 V181 A182 S188 V200V154-A184 HydrophobicContact CB-CB 4.47Å; V154-A184 HydrophobicContact CG1-CB 3.73Å; V154-A184 HydrophobicContact CG2-CB 3.88Å; V181-A184 WeakPolarHBondContact O-CB 3.09Å; V181-A184 PolarHBondContact O-N 3.11Å; A182-A184 PolarHBondContact O-N 3.36Å; A184-S188 PolarHBondContact O-N 3.03Å; A184-V200 HydrophobicContact CB-CG2 3.64Å
185F98.8Very high98.4Very high0 Ų049 Ų490%025%0.245CC..Hα-helixtrans-68.1-44.4170.4-72-91.8000111.4I14 I18 V62 T110 T112 V154 V181 A182 M183 K187 S188 V189I14-F185 HydrophobicContact CG2-CE2 3.95Å; I14-F185 HydrophobicContact CG2-CZ 4.44Å; I18-F185 HydrophobicContact CD1-CB 4.33Å; I18-F185 HydrophobicContact CD1-CD1 3.71Å; I18-F185 HydrophobicContact CD1-CD2 3.56Å; I18-F185 HydrophobicContact CD1-CE1 3.8Å; I18-F185 HydrophobicContact CD1-CE2 3.68Å; I18-F185 HydrophobicContact CD1-CG 3.59Å; I18-F185 HydrophobicContact CD1-CZ 3.79Å; I18-F185 HydrophobicContact CG1-CB 4.05Å; I18-F185 HydrophobicContact CG1-CD1 4.36Å; I18-F185 HydrophobicContact CG1-CD2 3.68Å; I18-F185 HydrophobicContact CG1-CE2 4.22Å; I18-F185 HydrophobicContact CG1-CG 3.77Å; I18-F185 HydrophobicContact CG2-CB 4.22Å; V62-F185 HydrophobicContact CG1-CD1 3.45Å; V62-F185 VanDerWaalsContact CG1-CD1 3.45Å; V62-F185 HydrophobicContact CG1-CE1 3.92Å; V62-F185 HydrophobicContact CG1-CG 4.4Å; T110-F185 HydrophobicContact CG2-CD1 3.44Å; T110-F185 VanDerWaalsContact CG2-CD1 3.44Å; T110-F185 HydrophobicContact CG2-CE1 3.8Å; T110-F185 HydrophobicContact CG2-CG 4.32Å; T112-F185 WeakPolarHBondContact OG1-CZ 3.4Å; V154-F185 HydrophobicContact CB-CD2 4.13Å; V154-F185 HydrophobicContact CB-CE1 4.24Å; V154-F185 HydrophobicContact CB-CE2 3.6Å; V154-F185 HydrophobicContact CB-CZ 3.67Å; V154-F185 HydrophobicContact CG1-CD2 4.12Å; V154-F185 HydrophobicContact CG1-CE2 3.64Å; V154-F185 HydrophobicContact CG1-CZ 4.2Å; V154-F185 HydrophobicContact CG2-CD1 4.05Å; V154-F185 HydrophobicContact CG2-CD2 3.82Å; V154-F185 HydrophobicContact CG2-CE1 4.07Å; V154-F185 HydrophobicContact CG2-CE2 3.8Å; V154-F185 HydrophobicContact CG2-CG 3.94Å; V154-F185 HydrophobicContact CG2-CZ 3.93Å; V181-F185 HydrophobicContact CG1-CD2 4.34Å; V181-F185 HydrophobicContact CG1-CE2 3.84Å; V181-F185 WeakPolarHBondContact O-CD2 3.41Å; A182-F185 WeakPolarHBondContact O-CA 3.36Å; A182-F185 WeakPolarHBondContact O-CB 3.23Å; A182-F185 PolarHBondContact O-N 3.18Å; M183-F185 VanDerWaalsContact C-N 3.34Å; F185-K187 VanDerWaalsContact C-N 3.32Å; F185-K187 PolarHBondContact O-N 2.7Å; F185-S188 WeakPolarHBondContact O-CB 3.45Å; F185-S188 PolarHBondContact O-N 3.24Å; F185-S188 VanDerWaalsContact O-N 3.08Å; F185-V189 WeakPolarHBondContact O-CG2 3.46Å; F185-V189 PolarHBondContact O-N 3.17Å
186V98.6Very high98.5Very high15 Ų1551.1 Ų51.19%0.09125%0.252CS..Hα-helixtrans-55.6-48.7173.1178.50000110.3K21 L22 A182 M183 S188 V189 E190K21-V186 HydrophobicContact CB-CG2 3.61Å; K21-V186 HydrophobicContact CG-CG2 4.47Å; L22-V186 HydrophobicContact CD2-CG2 4.01Å; A182-V186 PolarHBondContact O-N 2.98Å; M183-V186 PolarHBondContact O-N 2.89Å; M183-V186 HydrophobicContact SD-CG2 4.37Å; V186-S188 VanDerWaalsContact C-N 3.26Å; V186-S188 PolarHBondContact O-N 3.49Å; V186-V189 PolarHBondContact O-N 3.27Å; V186-E190 HydrophobicContact CG1-CG 4.18Å; V186-E190 WeakPolarHBondContact CG1-OE2 3.46Å; V186-E190 WeakPolarHBondContact O-CB 3.37Å; V186-E190 PolarHBondContact O-N 3.46Å
187K98.7Very high98.5Very high101 Ų10153.7 Ų53.744%0.43926%0.264SS..Hα-helixtrans-56.2-39.4176.1178.4177.6170.460.80112.6M183 F185 G191 Q193 Y198M183-K187 WeakPolarHBondContact O-CB 3.42Å; M183-K187 PolarHBondContact O-N 3.08Å; F185-K187 VanDerWaalsContact C-N 3.32Å; F185-K187 PolarHBondContact O-N 2.7Å; K187-G191 VanDerWaalsContact O-CA 3.25Å; K187-G191 WeakPolarHBondContact O-CA 3.12Å; K187-G191 PolarHBondContact O-N 2.84Å; K187-Q193 VanDerWaalsContact CE-OE1 3.27Å; K187-Y198 HydrophobicContact CD-CD1 4.21Å; K187-Y198 HydrophobicContact CD-CE1 3.99Å; K187-Y198 VanDerWaalsContact CE-CE1 3.42Å; K187-Y198 HydrophobicContact CG-CE1 4.41Å
188S98.8Very high98.5Very high0 Ų052.2 Ų52.20%025%0.252CS..Hα-helixtrans-68-47176.9-173.10000112.3T110 R150 N152 A184 F185 V186T110-S188 WeakPolarHBondContact CG2-OG 3.42Å; T110-S188 WeakPolarHBondContact OG1-CB 3.47Å; T110-S188 PolarHBondContact OG1-OG 3.28Å; R150-S188 PolarHBondContact NH1-O 2.9Å; R150-S188 PolarHBondContact NH2-O 3.35Å; N152-S188 WeakPolarHBondContact CB-OG 3.24Å; N152-S188 PolarHBondContact ND2-OG 2.94Å; A184-S188 PolarHBondContact O-N 3.03Å; F185-S188 WeakPolarHBondContact O-CB 3.45Å; F185-S188 PolarHBondContact O-N 3.24Å; F185-S188 VanDerWaalsContact O-N 3.08Å; V186-S188 VanDerWaalsContact C-N 3.26Å; V186-S188 PolarHBondContact O-N 3.49Å
189V98.4Very high98.6Very high10 Ų1057.4 Ų57.46%0.06128%0.276CS..Hα-helixtrans-68.9-51.7-176.4172.70000110.9L22 A60 V62 R150 F185 V186L22-V189 HydrophobicContact CD1-CG2 4.23Å; L22-V189 HydrophobicContact CD2-CB 4.14Å; L22-V189 HydrophobicContact CD2-CG1 4.19Å; L22-V189 HydrophobicContact CD2-CG2 4.29Å; A60-V189 HydrophobicContact CB-CG1 3.91Å; A60-V189 HydrophobicContact CB-CG2 4.31Å; V62-V189 HydrophobicContact CG2-CG2 3.56Å; R150-V189 PolarHBondContact NH2-O 3.16Å; F185-V189 WeakPolarHBondContact O-CG2 3.46Å; F185-V189 PolarHBondContact O-N 3.17Å; V186-V189 PolarHBondContact O-N 3.27Å
190E97.5Very high98.6Very high87 Ų8752.6 Ų52.641%0.40725%0.254SS..Hα-helixtrans-89.4-17.9-172.2-59.3-174.8164.100113.7H25 H26 V186H25-E190 IonicContact CE1-OE1 3.84Å; H25-E190 IonicContact CG-OE1 3.97Å; H25-E190 IonicContact ND1-OE1 2.92Å; H25-E190 PolarHBondContact ND1-OE1 3.32Å; H25-E190 IonicContact ND1-OE2 2.82Å; H26-E190 IonicContact NE2-OE1 2.71Å; V186-E190 HydrophobicContact CG1-CG 4.18Å; V186-E190 WeakPolarHBondContact CG1-OE2 3.46Å; V186-E190 WeakPolarHBondContact O-CB 3.37Å; V186-E190 PolarHBondContact O-N 3.46Å
191G97.6Very high98.6Very high26 Ų2649.7 Ų49.727%0.26824%0.243SC..SBendtrans-75.2-174.3176.900000113.7R150 K187R150-G191 PolarHBondContact NE-O 3.38Å; R150-G191 PolarHBondContact NH1-O 3.43Å; R150-G191 PolarHBondContact NH2-O 3.12Å; K187-G191 VanDerWaalsContact O-CA 3.25Å; K187-G191 WeakPolarHBondContact O-CA 3.12Å; K187-G191 PolarHBondContact O-N 2.84Å
192K97.8Very high98.5Very high198 Ų19852.2 Ų52.286%0.86126%0.256SS*.  trans-119.25.5177.9-64.2-170.7177.9-175.70114.3R150R150-K192 WeakPolarHBondContact CD-O 3.37Å
193Q98.7Very high98.5Very high85 Ų8554.9 Ų54.940%0.39727%0.269SS..  trans-79.9151.2179.3-70.1175.6-40.300111.2R150 N152 K187 Q196 Y198R150-Q193 PolarHBondContact NH1-O 2.93Å; N152-Q193 PolarHBondContact ND2-O 3.21Å; K187-Q193 VanDerWaalsContact CE-OE1 3.27Å; Q193-Q196 HydrophobicContact CB-CG 3.8Å; Q193-Y198 WeakPolarHBondContact CB-OH 3.09Å; Q193-Y198 PolarHBondContact OE1-OH 3.43Å
194T98.8Very high98.5Very high50 Ų5052.8 Ų52.831%0.30726%0.259SS..  trans-138.1156.6174.9-164.50000109.6A142 R150 I151 N152 Q196A142-T194 HydrophobicContact CB-CG2 4.25Å; A142-T194 WeakPolarHBondContact CB-OG1 3.44Å; R150-T194 WeakPolarHBondContact CA-OG1 3.34Å; I151-T194 PolarHBondContact N-OG1 3.34Å; I151-T194 PolarHBondContact O-OG1 3.07Å; N152-T194 VanDerWaalsContact OD1-C 3.24Å; N152-T194 WeakPolarHBondContact OD1-CA 3.32Å; T194-Q196 PolarHBondContact O-N 3.25Å; T194-Q196 PolarHBondContact O-NE2 2.95Å
195G98.8Very high98.5Very high14 Ų1455.4 Ų55.414%0.14427%0.269CS..SBendtrans6816.9-179.800000114.5I151 N152I151-G195 PolarHBondContact O-N 3Å; N152-G195 PolarHBondContact OD1-N 3.07Å
196Q98.9Very high98.5Very high80 Ų8058.8 Ų58.837%0.37429%0.286SS..  trans-91.4146.4-178.1-54.5-54.2-62.800112N152 C153 Q193 T194 Y198N152-Q196 WeakPolarHBondContact CA-O 3.39Å; N152-Q196 HydrophobicContact CB-CB 4.46Å; N152-Q196 WeakPolarHBondContact CB-O 3.13Å; N152-Q196 WeakPolarHBondContact OD1-CB 3.45Å; N152-Q196 PolarHBondContact OD1-N 3.24Å; C153-Q196 PolarHBondContact N-O 3.36Å; Q193-Q196 HydrophobicContact CB-CG 3.8Å; T194-Q196 PolarHBondContact O-N 3.25Å; T194-Q196 PolarHBondContact O-NE2 2.95Å; Q196-Y198 HydrophobicContact CB-CD1 4.2Å; Q196-Y198 HydrophobicContact CB-CE1 3.64Å; Q196-Y198 HydrophobicContact CB-CE2 4.29Å; Q196-Y198 HydrophobicContact CG-CE1 4.05Å
197E98.8Very high98.5Very high56 Ų5661.7 Ų61.726%0.26230%0.299SS..EExtended strand (participates in β ladder)trans-106.1111.6158.8178.5168.1-151.200108.8T113 K117 C153 S155 Q199T113-E197 PolarHBondContact OG1-OE1 3.28Å; K117-E197 WeakPolarHBondContact CE-OE1 3.32Å; K117-E197 WeakPolarHBondContact CE-OE2 3.43Å; K117-E197 IonicContact NZ-OE1 2.8Å; K117-E197 PolarHBondContact NZ-OE1 3.33Å; K117-E197 IonicContact NZ-OE2 3.63Å; K117-E197 PolarHBondContact NZ-OE2 3.09Å; C153-E197 WeakPolarHBondContact O-CA 3.47Å; S155-E197 WeakPolarHBondContact CB-OE1 3.19Å; S155-E197 PolarHBondContact OG-OE1 3.05Å; E197-Q199 HydrophobicContact CG-CG 4.27Å; E197-Q199 PolarHBondContact O-N 3.5Å
198Y98.9Very high98.5Very high23 Ų2358.9 Ų58.99%0.0929%0.289CS..EExtended strand (participates in β ladder)trans-86.297.3175.8-57.3-56000109.9N152 C153 V154 S155 K187 Q193 Q196N152-Y198 HydrophobicContact CB-CD2 4.27Å; N152-Y198 HydrophobicContact CB-CE2 3.66Å; C153-Y198 PolarHBondContact O-N 3.46Å; V154-Y198 WeakPolarHBondContact CA-O 3.49Å; V154-Y198 HydrophobicContact CG2-CD2 4.26Å; S155-Y198 PolarHBondContact N-O 3.29Å; K187-Y198 HydrophobicContact CD-CD1 4.21Å; K187-Y198 HydrophobicContact CD-CE1 3.99Å; K187-Y198 VanDerWaalsContact CE-CE1 3.42Å; K187-Y198 HydrophobicContact CG-CE1 4.41Å; Q193-Y198 WeakPolarHBondContact CB-OH 3.09Å; Q193-Y198 PolarHBondContact OE1-OH 3.43Å; Q196-Y198 HydrophobicContact CB-CD1 4.2Å; Q196-Y198 HydrophobicContact CB-CE1 3.64Å; Q196-Y198 HydrophobicContact CB-CE2 4.29Å; Q196-Y198 HydrophobicContact CG-CE1 4.05Å
199Q98.8Very high98.4Very high111 Ų11163.5 Ų63.552%0.51931%0.311SS..EExtended strand (participates in β ladder)trans-73.7128.3174.8-63.4175.1-35.800110.6D118 E197 Y201D118-Q199 PolarHBondContact OD2-NE2 2.69Å; E197-Q199 HydrophobicContact CG-CG 4.27Å; E197-Q199 PolarHBondContact O-N 3.5Å; Q199-Y201 HydrophobicContact CB-CD1 4.44Å; Q199-Y201 HydrophobicContact CB-CD2 4.2Å; Q199-Y201 HydrophobicContact CB-CE1 4.16Å; Q199-Y201 HydrophobicContact CB-CE2 3.91Å; Q199-Y201 HydrophobicContact CB-CG 4.44Å; Q199-Y201 HydrophobicContact CG-CE1 4.37Å; Q199-Y201 HydrophobicContact CG-CE2 3.82Å
200V98.7Very high98.4Very high9 Ų967.9 Ų67.96%0.05533%0.332CS..EExtended strand (participates in β ladder)trans-124.974.3174.2-171.20000107.3V154 S155 N157 V176 R180 V181 A184V154-V200 HydrophobicContact CG1-CG2 4.23Å; S155-V200 PolarHBondContact O-N 2.74Å; N157-V200 PolarHBondContact N-O 2.63Å; V176-V200 HydrophobicContact CG2-CG1 4.37Å; R180-V200 HydrophobicContact CB-CG1 4.41Å; R180-V200 HydrophobicContact CG-CG1 3.76Å; V181-V200 HydrophobicContact CG2-CB 4.21Å; V181-V200 HydrophobicContact CG2-CG1 3.9Å; A184-V200 HydrophobicContact CB-CG2 3.64Å
201Y97.9Very high98.5Very high76 Ų7666.2 Ų66.230%0.29833%0.325SS..  trans-90.80179.6-57.2-18.3000112.2I115 D118 S155 N157 V176 R180 Q199I115-Y201 HydrophobicContact CB-CD1 3.93Å; I115-Y201 HydrophobicContact CB-CE1 3.62Å; I115-Y201 HydrophobicContact CD1-CD1 3.65Å; I115-Y201 HydrophobicContact CD1-CD2 4.2Å; I115-Y201 HydrophobicContact CD1-CE1 4.13Å; I115-Y201 HydrophobicContact CD1-CG 3.73Å; I115-Y201 HydrophobicContact CG1-CD1 3.71Å; I115-Y201 HydrophobicContact CG1-CD2 4.27Å; I115-Y201 HydrophobicContact CG1-CE1 3.63Å; I115-Y201 HydrophobicContact CG1-CE2 4.19Å; I115-Y201 HydrophobicContact CG1-CG 4.08Å; D118-Y201 HydrophobicContact CB-CE2 4.45Å; D118-Y201 PolarHBondContact OD2-OH 3.44Å; S155-Y201 WeakPolarHBondContact O-CE1 3.29Å; S155-Y201 PolarHBondContact OG-OH 3.22Å; N157-Y201 PolarHBondContact ND2-OXT 2.79Å; V176-Y201 VanDerWaalsContact CG1-OXT 3.27Å; V176-Y201 WeakPolarHBondContact CG1-OXT 3.29Å; R180-Y201 PolarHBondContact NH1-O 3.45Å; Q199-Y201 HydrophobicContact CB-CD1 4.44Å; Q199-Y201 HydrophobicContact CB-CD2 4.2Å; Q199-Y201 HydrophobicContact CB-CE1 4.16Å; Q199-Y201 HydrophobicContact CB-CE2 3.91Å; Q199-Y201 HydrophobicContact CB-CG 4.44Å; Q199-Y201 HydrophobicContact CG-CE1 4.37Å; Q199-Y201 HydrophobicContact CG-CE2 3.82Å

Retrieved 201 of 201 residues in 361.8 ms (Link to these results)

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